Molecular Dynamics Simulation of

Nanostructured Materials-An
Understanding of Mechanical Behavior
1st Edition Snehanshu Pal (Author)
Visit to download the full and correct content document:
https://textbookfull.com/product/molecular-dynamics-simulation-of-nanostructured-ma
terials-an-understanding-of-mechanical-behavior-1st-edition-snehanshu-pal-author/
More products digital (pdf, epub, mobi) instant
download maybe you interests ...

Fundamentals of Molecular Structural Biology 1st

Edition Subrata Pal

https://textbookfull.com/product/fundamentals-of-molecular-
structural-biology-1st-edition-subrata-pal/

Plastic deformation of nanostructured materials Glezer

https://textbookfull.com/product/plastic-deformation-of-
nanostructured-materials-glezer/

Fatigue and Fracture of Nanostructured Materials

Pasquale Cavaliere

https://textbookfull.com/product/fatigue-and-fracture-of-
nanostructured-materials-pasquale-cavaliere/

Functional Molecular Materials An Introductory Textbook

1st Edition Matteo Atzori

https://textbookfull.com/product/functional-molecular-materials-
an-introductory-textbook-1st-edition-matteo-atzori/
Nonequilibrium Gas Dynamics and Molecular Simulation
Cambridge Aerospace Series Band 42 1st Edition Iain D.
Boyd

https://textbookfull.com/product/nonequilibrium-gas-dynamics-and-
molecular-simulation-cambridge-aerospace-series-band-42-1st-
edition-iain-d-boyd/

Functional Molecular Materials an Introductory Textbook

First Edition Artizzu

https://textbookfull.com/product/functional-molecular-materials-
an-introductory-textbook-first-edition-artizzu/

Nanobiomaterials : nanostructured materials for

biomedical applications Narayan

https://textbookfull.com/product/nanobiomaterials-nanostructured-
materials-for-biomedical-applications-narayan/

Dynamics and Simulation of Flexible Rockets 1st Edition

Timothy M. Barrows

https://textbookfull.com/product/dynamics-and-simulation-of-
flexible-rockets-1st-edition-timothy-m-barrows/

Dynamics of Lattice Materials Mahmoud I. Hussein

https://textbookfull.com/product/dynamics-of-lattice-materials-
mahmoud-i-hussein/
 MOLECULAR DYNAMICS
SIMULATION OF
NANOSTRUCTURED
MATERIALS
AN UNDERSTANDING OF MECHANICAL BEHAVIOR

Snehanshu Pal and Bankim Chandra Ray

 Molecular Dynamics
Simulation of
Nanostructured Materials
 Molecular Dynamics
Simulation of
Nanostructured Materials
An Understanding
of Mechanical Behavior

Snehanshu Pal
Bankim Chandra Ray
CRC Press
Taylor & Francis Group
52 Vanderbilt Avenue,
New York, NY 10017

© 2020 by Taylor & Francis Group, LLC

CRC Press is an imprint of Taylor & Francis Group, an Informa business

No claim to original U.S. Government works

Printed on acid-free paper

International Standard Book Number-13: 978-0-367-02982-1 (Hardback)

This book contains information obtained from authentic and highly regarded sources. Reasonable efforts
have been made to publish reliable data and information, but the author and publisher cannot assume
responsibility for the validity of all materials or the consequences of their use. The authors and publishers
have attempted to trace the copyright holders of all material reproduced in this publication and apologize
to copyright holders if permission to publish in this form has not been obtained. If any copyright material
has not been acknowledged please write and let us know so we may rectify in any future reprint.

Except as permitted under U.S. Copyright Law, no part of this book may be reprinted, reproduced, transmitted,
or utilized in any form by any electronic, mechanical, or other means, now known or hereafter invented,
including photocopying, microfilming, and recording, or in any information storage or retrieval system,
without written permission from the publishers.

For permission to photocopy or use material electronically from this work, please access www.copyright.
com (http://www.copyright.com/) or contact the Copyright Clearance Center, Inc. (CCC), 222 Rosewood
Drive, Danvers, MA 01923, 978-750-8400. CCC is a not-for-profit organization that provides licenses and
registration for a variety of users. For organizations that have been granted a photocopy license by the
CCC, a separate system of payment has been arranged.

Trademark Notice: Product or corporate names may be trademarks or registered trademarks, and are
used only for identification and explanation without intent to infringe.
Visit the Taylor & Francis Web site at
http://www.taylorandfrancis.com

and the CRC Press Web site at

http://www.crcpress.com
Dedicated to Passionate Pupils
Contents
Preface....................................................................................................................xvii
Authors.....................................................................................................................xix

Chapter 1 Structural Description of Materials...................................................... 1

1.1 Atomic Arrangements in Materials............................................. 1
1.1.1 Periodicity in Crystals and Symmetry Elements.............1
1.1.2 Crystal Lattices and Structures........................................3
1.1.3 Crystal Directions and Planes..........................................5
1.1.4 Crystallographic Angles................................................... 6
1.1.5 Stereographic Projections.................................................8
1.1.5.1 Stereographic Projection for the Faces
of an Isometric Crystal...................................... 9
1.1.5.2 Stereonet or Wulff Net.................................... 10
1.1.5.3 Measurement of Angle Between Planes
and Poles.......................................................... 12
1.1.5.4 Locating a Plane Corresponding to a Pole...... 13
1.1.5.5 Standard Projection of a Cubic Crystal........... 13
1.1.5.6 Locating the Poles of High-Indices Planes..... 15
1.1.5.7 Representation of Symmetry........................... 16
1.1.6 Metallic Glass................................................................. 17
1.1.6.1 Structural Analysis of Metallic Glass............. 17
1.1.6.2 Mechanical Properties of Metallic Glass........ 17
1.1.6.3 Strain-Rate Sensitivity of Metallic Glass........ 18
1.1.6.4 Network Structures in Metallic Glass.............20
1.1.7 Polymeric Structures...................................................... 22
1.1.8 Crystallinity in Polymers...............................................24
1.2 Defects in Solids........................................................................26
1.2.1 Types of Imperfection.................................................... 27
1.2.2 Point Defects or 0 Dimensional Defects........................ 27
1.2.2.1 Vacancy Defect................................................ 27
1.2.2.2 Impurity Defect............................................... 29
1.2.2.3 Frenkel Defect................................................. 30
1.2.2.4 Schottky Defect............................................... 31
1.2.2.5 More About Point Defects............................... 33
1.2.2.6 Defects in Ionic Solids..................................... 33
1.2.3 Line Defects or One-Dimensional Defects.................... 37

vii
viii Contents

1.2.4 Burgers Vector............................................................. 38

1.2.4.1 Edge Dislocation......................................... 39
1.2.4.2 Screw Dislocation....................................... 41
1.2.4.3 Mixed Dislocations..................................... 45
1.2.5 Dislocation Motion....................................................... 49
1.2.5.1 Glide............................................................ 49
1.2.5.2 Cross-slip..................................................... 49
1.2.5.3 Climb........................................................... 50
1.2.6 Forces Between Dislocations....................................... 50
1.2.7 Strain Energy............................................................... 50
1.2.8 Slip and Climb............................................................. 51
1.2.9 Planar Defects.............................................................. 53
1.2.9.1 Grain Boundaries........................................ 53
1.2.9.2 Twin Boundaries......................................... 55
1.2.9.3 Extended Dislocations and Stacking
Faults........................................................... 56
1.2.10 Volume Defects............................................................ 57
1.2.10.1 Precipitates.................................................. 57
1.2.10.2 Second-Phase Particles or Dispersants....... 57
1.2.10.3 Voids............................................................ 57
1.2.10.4 Inclusions.................................................... 57
1.2.11 Defects in Crystalline Polymers.................................. 58
1.2.11.1 3D Defects in Polymers............................... 58
1.2.11.2 2D Defects in Polymers.............................. 59
1.2.12 Defects in Glasses........................................................ 61
1.2.12.1 Real Glasses................................................ 62
1.2.12.2 Thermally Induced Glasses......................... 63
1.2.12.3 Practical Use of Defects in Glasses............. 63
1.2.13 Defects and Deformation............................................. 63
1.3 Fiber-Reinforced Composite Materials...................................... 65
1.3.1 Types of Fiber-Reinforced Composites........................ 65
1.3.1.1 Carbon (Graphite) Fiber-Reinforced
Composites..................................................66
1.3.1.2 Fiberglass-Reinforced Composites.............66
1.3.1.3 Other Fiber-Reinforced Composites...........66
1.3.2 Fiber Architecture........................................................ 67
1.3.2.1 Geometry.................................................... 67
1.3.2.2 Orientation.................................................. 67
1.3.2.3 Packing Arrangement................................. 68
1.3.2.4 Volume Fraction.......................................... 68
1.3.3 Defects in Fiber-Reinforced Composites..................... 69
1.3.3.1 Manufacturing Defects............................... 70
1.3.3.2 In-Service Defects....................................... 71
References........................................................................................... 71
Contents ix

Chapter 2 Mechanical Behavior of Materials...................................................... 73

2.1 Elastic Deformation................................................................... 73
2.2 Plastic Deformation.................................................................... 74
2.2.1 Slip and Twinning........................................................ 77
2.2.1.1 Slip................................................................. 77
2.2.1.2 Twinning....................................................... 77
2.2.2 Resolved Shear Stress.................................................. 78
2.2.3 Slip and Crystal Structure............................................ 81
2.2.4 Law of Critical Resolved Shear Stress......................... 81
2.2.5 Multiple Slip................................................................. 82
2.2.6 Work Hardening and Slip............................................. 83
2.3 Theory of Dislocation and Plastic Deformation........................ 85
2.3.1 Dislocation Mobility.................................................... 85
2.3.2 Variation of Yield Stress with Temperature
and Strain Rate............................................................. 86
2.3.3 Potential Dislocation Sources...................................... 86
2.3.3.1 Frank Read Source........................................ 87
2.3.4 Discontinuous Yielding................................................ 87
2.3.5 Yield Points and Crystal Structure............................... 88
2.3.6 Discontinuous Yielding in Ordered Alloys..................90
2.3.7 Solute-Dislocation Interaction.....................................90
2.3.8 Dislocation Locking and Temperature......................... 91
2.3.9 Inhomogeneity Interaction...........................................92
2.3.10 Kinetics of Strain Ageing.............................................92
2.3.11 Influence of Grain Boundaries on Plasticity
and Superplasticity....................................................... 93
2.4 Mechanical Twinning................................................................ 95
2.4.1 Crystallography of Twinning....................................... 95
2.4.2 Nucleation and Growth in Twins.................................96
2.4.3 Effect of Impurities on Twinning.................................97
2.4.4 Effect of Pre-strain on Twinning................................. 98
2.4.5 Dislocation Mechanism of Twinning........................... 98
2.4.6 Twinning and Fracture................................................. 98
2.4.7 Strengthening and Hardening Mechanisms.................99
2.4.7.1 Point Defect Hardening.................................99
2.4.7.2 Work Hardening.......................................... 100
2.4.8 Development of Preferred Orientation....................... 105
2.4.8.1 Crystallographic Aspects............................ 105
2.4.8.2 Texture Hardening....................................... 106
2.5 Macroscopic Plasticity............................................................. 107
2.5.1 Tresca and von Mises Criteria................................... 107
2.5.2 Effective Stress and Strain......................................... 108
2.5.3 Recrystallize Annealing............................................ 109
2.5.4 General Effects of Annealing.................................... 109
2.5.5 Recovery.................................................................... 109
x Contents

2.5.6 Recrystallization.......................................................... 110

2.5.7 Grain Growth............................................................... 111
2.5.8 Annealing Twins.......................................................... 112
2.5.9 Recrystallization Textures............................................ 113
2.6 Grain Boundary Engineering................................................... 113
2.7 Grain Misorientation and Grain-Boundary
Rotation-Dependent Mechanical Properties............................ 116
References......................................................................................... 117

Chapter 3 Creep and Fatigue Behavior of Materials......................................... 119

3.1 Metallic Creep and Viscoelasticity.......................................... 119
3.1.1 Tensile Creep Curve: Transient and Steady-State
Creep............................................................................ 119
3.1.2 Grain Boundary Influences on Creep.......................... 121
3.1.3 Tertiary Creep and Fracture......................................... 121
3.1.4 Creep Resistant Alloy Design and a Few
Case Studies................................................................. 122
3.2 Deformation Mechanism Maps................................................ 123
3.3 Metallic Fatigue....................................................................... 124
3.3.1 Nature of Fatigue Failure............................................. 124
3.3.2 Engineering Aspects of Fatigue................................... 125
3.3.3 Structural Changes during Fatigue.............................. 125
3.3.4 Crack Formation and Fatigue Failure.......................... 126
3.3.5 Fatigue at Elevated Temperature and a Few
Case Studies................................................................. 129
3.4 Fracture and Toughness........................................................... 130
3.4.1 Griffith Microcrack Criteria......................................... 130
3.4.2 Fracture Toughness...................................................... 132
3.4.3 Cleavage and Ductile-Brittle Transition....................... 132
3.4.4 Factors Affecting Brittleness of Steels......................... 134
3.4.4.1 Chemical Composition.................................. 134
3.4.4.2 Grain Size...................................................... 134
3.4.4.3 Grain Orientation.......................................... 135
3.4.4.4 Work Hardening............................................ 135
3.4.4.5 Irradiation Hardening.................................... 135
3.4.4.6 Microstructure............................................... 135
3.5 Crack Propagation and Healing Mechanism for
Metallic System........................................................................ 135
3.6 Strengthening and Toughening Mechanism of
Metallic System........................................................................ 137
3.6.1 Strengthening from Grain Boundary........................... 137
3.6.2 Solid Solution Strengthening........................................ 138
3.6.3 Strengthening due to Fine Particles............................. 138
Contents xi

3.6.4 Strengthening due to Point Defects.............................. 139

3.6.5 Strain Hardening.......................................................... 139
3.7 Strengthening and Toughening Mechanism of Polymeric
Composite System.................................................................... 140
3.7.1 Deformed Fibers........................................................... 141
3.7.2 Crack Pinning............................................................... 141
3.7.3 Shear Yielding.............................................................. 142
3.7.4 Rubber Tear.................................................................. 142
3.7.5 Crack Path Deflection................................................... 142
3.7.6 Multiple Crazing.......................................................... 142
3.7.7 Cavitation-Shear Yielding............................................ 143
3.7.8 Crack Bridging............................................................. 143
3.8 Physics of Fiber-Reinforced Composite Materials
Deformation............................................................................. 144
References......................................................................................... 147

Chapter 4 Mechanical Behavior of Nanostructured Materials.......................... 151

4.1 Length-Scale-Dependent Mechanical Behavior...................... 151
4.2 Categories of Nanostructured Materials.................................. 154
4.2.1 Zero-Dimensional Nanostructured Material................ 155
4.2.2 One-Dimensional Nanostructured Material................. 155
4.2.3 Two-Dimensional Nanostructured Material................ 155
4.2.4 Three-Dimensional Nanostructured Material.............. 155
4.3 Non-equilibrium Nanostructured Materials............................ 156
4.4 Classification of Nanostructured Materials Based
on Microstructure..................................................................... 157
4.5 Mechanical Properties of Nanometallic Glass........................ 158
4.5.1 Mechanism of Nanometallic Glass Deformation......... 158
4.5.2 Effect of Size on Deformation Behavior of
Nanometallic Glass...................................................... 160
4.5.3 Effect of Irradiation on Deformation Behavior
of Nanometallic Glass.................................................. 161
4.6 Mechanical Properties of Nanogranular Metallic Glasses...... 164
4.7 Interfacial and Mechanical Properties of Epoxy
Nanocomposites....................................................................... 165
4.7.1 Effect of Nanoparticles on Mechanical Properties
of Epoxy Nanocomposites............................................ 165
4.7.1.1 Tensile Strength of Epoxy
Nanocomposite............................................. 165
4.7.1.2 Flexural Strength of Epoxy
Nanocomposite............................................. 165
4.7.1.3 Mechanical Properties of
Epoxy/Graphene Nanocomposite.................. 166
xii Contents

4.7.2 Toughening of Epoxy Nanocomposites: Nano

and Hybrid Effects....................................................... 167
4.7.2.1 Toughening Mechanism Associated
with Binary Nanocomposites........................ 167
4.7.2.2 Toughening Mechanism Associated
with Ternary Nanocomposites with Silica
Rubber Hybrids.............................................. 167
References......................................................................................... 169

Chapter 5 Basics of Molecular Dynamics Simulation....................................... 171

5.1 Introduction.............................................................................. 171
5.2 Molecular Interactions............................................................. 172
5.2.1 Bonded Interactions..................................................... 173
5.2.2 Non-bonded Interactions.............................................. 173
5.3 Interatomic Potentials.............................................................. 174
5.3.1 Lennard-Jones Potential............................................... 176
5.3.2 Morse Potential............................................................ 176
5.3.3 Embedded-Atom Method............................................. 177
5.3.4 Modified Embedded-Atom Method............................. 178
5.3.5 Charge-Optimized Many-Body Potentials................... 179
5.4 The Molecular Dynamics (MD) Algorithms........................... 180
5.4.1 Verlet Algorithm.......................................................... 180
5.4.2 Leap-Frog Algorithm................................................... 181
5.4.3 Velocity Verlet Algorithm............................................ 182
5.4.4 Beeman Algorithm....................................................... 182
5.5 Time Dependence.................................................................... 182
5.6 Different Ensembles................................................................. 184
5.6.1 Microcanonical (NVE) Ensemble................................ 184
5.6.2 Canonical (NVT) Ensemble......................................... 184
5.6.3 Isothermal-Isobaric (NPT) Ensemble.......................... 185
5.6.4 Isoenthalpic-Isobaric (NPH) Ensemble....................... 185
5.7 Structural Characterization...................................................... 185
5.7.1 Bond-Angle Analysis................................................... 185
5.7.2 Centrosymmetry Parameter......................................... 186
5.7.3 Common Neighbor Analysis........................................ 186
5.7.4 Adaptive Common Neighbor Analysis........................ 187
5.7.5 Coordination Analysis.................................................. 188
5.7.6 Dislocation Extraction Algorithm................................ 188
5.7.7 Voronoi Analysis.......................................................... 189
5.7.7.1 Full Icosahedra.............................................. 190
5.7.7.2 Frank-Kasper Polyhedron............................. 190
5.7.8 Wigner-Seitz Defect Analysis...................................... 191
5.7.9 Polyhedral Template Matching.................................... 192
References......................................................................................... 192
Contents xiii

Chapter 6 Stress-Strain Behavior Investigation by Molecular Dynamic

(MD) Simulation............................................................................... 199
6.1 Introduction.............................................................................. 199
6.2 Test Parameters........................................................................200
6.2.1 Effect of Strain Rate..................................................... 201
6.2.2 Effect of Temperature.................................................. 203
6.2.3 Effect of Size................................................................205
6.2.3.1 Effect of Grain Size of Polycrystalline
Metals............................................................207
6.3 Test Procedure..........................................................................207
6.3.1 Effect of Different Ensembles......................................208
6.4 Stress-Strain Plot......................................................................208
6.4.1 Metallic System............................................................208
6.4.2 Metallic Glass System.................................................. 214
6.4.3 Nanocomposites........................................................... 216
6.5 Structural Evolution................................................................. 220
6.5.1 Dislocation Evolution and Interaction.......................... 220
6.5.2 Grain Boundary Sliding............................................... 220
6.5.3 Structural Evolution in the Shear Band........................ 221
6.5.4 Effect of Vacancy on Deformation Behavior............... 222
6.5.5 Effect of Stacking Fault on Deformation Behavior...... 223
6.6 Summary.................................................................................. 223
References.........................................................................................224

Chapter 7 Fracture Simulations Using Molecular Dynamics (MD).................. 229

7.1 Introduction.............................................................................. 229
7.2 Test Parameters........................................................................ 230
7.2.1 Strain Rate Effect......................................................... 230
7.2.2 Stress State Effect........................................................ 231
7.2.3 Temperature Effect....................................................... 232
7.3 Test Procedure.......................................................................... 233
7.3.1 Case Study.................................................................... 233
7.4 Traction and Separation Method.............................................. 234
7.4.1 Cohesive Zone Modeling............................................. 236
7.4.2 Crack Opening Displacement and Local Stresses
Using Molecular Dynamics.......................................... 239
7.4.3 Application of MD-Based Study of Fracture
Analysis........................................................................ 241
7.4.3.1 Role of Crack Tip Dislocations on the
Crack Propagation Behavior of Metals......... 241
7.4.3.2 Crack Growth Prediction Using Cohesive
Zone Model (CZM).......................................244
7.4.3.3 Application of Crack Tip Opening
Displacement in Predicting Fracture
Behavior........................................................ 250
xiv Contents

7.5 Crack Heal................................................................................ 254

7.6 Fracture Behavior Analysis...................................................... 255
7.7 Summary.................................................................................. 257
References......................................................................................... 258

Chapter 8 Creep Behavior Investigation by Molecular Dynamics (MD)

Simulation......................................................................................... 261
8.1 Introduction.............................................................................. 261
8.2 Test Parameters........................................................................ 263
8.2.1 Effect of Applied Stress............................................... 263
8.2.2 Effect of Temperature..................................................266
8.3 Test Procedure.......................................................................... 267
8.4 Creep Curve Plot...................................................................... 268
8.4.1 Metallic Systems.......................................................... 268
8.4.2 Amorphous Systems..................................................... 272
8.4.3 Nanocomposite Systems............................................... 272
8.5 Structural Evolution................................................................. 273
8.5.1 High-Temperature Deformation Mechanism............... 273
8.5.1.1 Diffusion-Mediated Creep............................ 273
8.5.1.2 Grain Boundary Sliding................................ 275
8.5.1.3 Dislocation-Mediated Creep......................... 275
8.5.2 Structural Changes during Creep Deformation
in Metallic System........................................................ 276
8.5.3 Structural Changes during Creep Deformation
in Amorphous System.................................................. 279
8.5.4 Structural Changes during Creep Deformation
in Nanocomposite System............................................280
8.5.5 Structural Changes during Creep Deformation
in Nanojoint System.....................................................280
8.6 Summary..................................................................................280
References......................................................................................... 281

Chapter 9 Fatigue Behavior Investigation by Molecular Dynamics (MD)

Simulation......................................................................................... 285
9.1 Introduction.............................................................................. 285
9.2 Cyclic Loading Pattern............................................................ 286
9.3 Test Parameters........................................................................ 288
9.3.1 Effect of Stress Ratio.................................................... 288
9.3.2 Effect of Stress Amplitude........................................... 289
9.3.3 Size Effect.................................................................... 290
9.3.4 Effect of Strain Amplitude........................................... 291
9.3.5 Effect of Temperature.................................................. 292
9.3.6 Effect of Number of Cycles.......................................... 293
Contents xv

9.4 Test Procedure.......................................................................... 294

9.4.1 Case Study: Fatigue Behavior of Cu Film through
Nanoimpact Under Cyclic Loading by MD
Simulation.................................................................... 295
9.5 Structural Evolution................................................................. 296
9.5.1 Structural Evolution of Pre-existing Crack
in Single-Crystal Iron................................................... 296
9.5.2 Grain Boundary Effect on the Crack Growth
of BCC Iron.................................................................. 297
9.5.3 Crack Growth Rate....................................................... 299
9.5.4 Crack Length in Various Crack Orientations
and Grain Boundaries..................................................300
9.5.5 Crack Growth Subjected to Stress Intensity Factor..... 301
9.5.6 Effect of Temperature during Cyclic Loading............. 301
9.6 Impact of Cyclic Loading Pattern............................................302
9.6.1 Fatigue Crack Propagation of Single-Crystal
Nickel during Constant-Strain Amplitude
Cyclic Loading.............................................................302
9.6.2 Fatigue Crack Propagation of Single-Crystal
Nickel during Increasing-Strain Amplitude
Cyclic Loading.............................................................304
9.6.3 Fatigue Crack Growth Process of Nanocrystalline
Copper during Cyclic Loading.....................................304
References.........................................................................................308

Index....................................................................................................................... 311
Preface
Currently, nanostructured (NS) materials have gained colossal attention of technol-
ogist, engineers, and material scientists, because these materials with fine grains
(grain size typically less than 100 nm) and novel structures exhibit extremely high
strength, hardness and reasonable toughness, increased diffusivity, reduced sinter-
ing temperatures, and some others functional properties. Accordingly, NS materials
have been started to be recognized as a new class of materials, and research studies
on these materials have strong potential toward designing and developing materials
with high strength and ductility and other new application-specific materials with
unusual customized properties. Nanostructured materials, being polycrystalline
materials with grain size in nanometer range, can provide enormous opportunity
for technological applications owing to their non-conventional properties and ease
of fabricability. This in turn creates huge interest in investigating basic structure-
property relationships and deformation behavior of such kind of polycrystalline
single or multiphase homogeneous and heterogeneous materials. Difference in the
physical, mechanical, and chemical properties of NS materials with respect to the
conventional course-grained materials, such as switch over from Hall-Petch rela-
tionship to inverse Hall-Petch relationship, makes the study of NS materials highly
essential, and over the last two decades, huge experimental and modeling-based
investigations in this line have been documented in the literature. Recently, molecu-
lar dynamics (MD) simulations become a significantly beneficial technique to gain
insight and detailed understanding of the mechanical behavior of NS materials and
associated underlying deformation mechanisms at atomic scale. MD simulation has
strong capacity to provide the knowledge and information, so that the blueprint-
ing of the experiments becomes easy as well as effective and also actual number
of experiments could be reduced significantly. Most importantly, evaluation of the
influence of grain size, grain boundary, triple junctions, stacking faults, dislocations,
dislocation loop, and many other structural features on the deformation behavior of
NS materials and associated rationality at atomic level can be achieved by MD simu-
lations. It is possible to determine even very intricate details of structural character-
izations and their effect on the mechanical properties of NS materials through MD
simulation, but for some cases, such extent of detailing cannot be achieved by dint
of real experiments. Despite such significant benefits, atomistic simulations of defor-
mation for NS materials have some drawbacks, such as applied strain rates is very
high with respect to actual experiment to cope up with computational resources and
simulation time is very less (in the order of nanoseconds). However, classical MD
is proven to be effective to provide new and authentic insights into the mechanical
behavior of NS materials and is also intuitively accessible to practitioners who are
willing to simulate NS material system by applying a suitable interatomic potential.
At this juncture, we would like to mention that we felt the necessity of a book that
has a correlation of mechanical behavior with structural evaluation and the underly-
ing mechanism mainly explained at the atomic scale in lucid approach. The purpose
of this book is to detect and critically correlate current achievements and properly

xvii
xviii Preface

assess the state of the art in the mechanical behavior study of NS material in the
perspective of atomic scale simulation of deformation process. More precisely, our
intention is to fetch the attention of the readers and make possible seamless knowl-
edge transfer by providing the representative examples of mechanical behavior stud-
ies carried out using MD simulations, which provide contributory research findings
toward progress in the field of NS material technology. The first three chapter of
this book provide the details about the correlation between structural evolution and
deformation behavior. Chapter 4 deals with the mechanical behavior of NS mate-
rials, which are introduced after explaining the length-scale-dependent mechani-
cal behavior. After this, in Chapter 5, fundamental discussion of MD simulation is
included. Chapter 6 contains the detail discussion on stress-strain behavior investi-
gated using MD simulation. Further, fracture behavior and crack propagation studies
carried out using MD simulation are presented in Chapter 7. MD simulation-based
studies of creep and fatigue behavior of NS materials are summarized in Chapters 8
and 9, respectively. As a whole, a solemn attempt is made to coherently present the
research efforts, which are exceedingly representative of the impact of atomistic
simulation-based studies toward the understanding of change in structural features
during the deformation process and the underlying deformation mechanism of NS
materials. This book is budding to provide a platform to the researchers and tech-
nologists who are interested in the development of NS materials and their mechani-
cal behavior study. The authors would like to take this opportunity to extend their
heartfelt gratitude to the National Institute of Technology (NIT), Rourkela, India,
and its bright and beautiful-minded pupils. Foremost, we would like to express
our sincere thanks to our students Mr. Pokula Narendra Babu, Ms. Srishti Mishra,
Mr. Prabhash Kumar, Mr. Vijay Reddy, Mr. Roshan Kumar Jha, and Ms. Niharika
Dalbehera for their support and involvement. We would like to thank everybody of
the Metallurgical and Materials Engineering Department of NIT, Rourkela, India.
We would also like to thank the generous support and suggestions from different
government and private organizations. We are indeed indebted to entire budding
and beautiful Computational Materials Engineering and Process Modelling Group
at NIT, Rourkela, India. Last but not the least, we would like to show gratitude to
everyone in the publishing team.
Authors
Snehanshu Pal has worked at the National Institute of
Technology (NIT), Rourkela, India, since 2014.
He has served as a postdoctoral fellow in the
Department of Materials Science and Engineering, the
Pennsylvania State University. He received his PhD in
Metallurgical and Materials Engineering from the
Indian Institute of Technology, Kharagpur, India, in
2013. A passionate researcher, critical thinker, and
committed academician, Snehanshu Pal currently
holds an assistant professor position at the
Metallurgical and Materials Engineering Department
of NIT, Rourkela, since 2014. He is eager to teach and
pass on the knowledge and is highly motivated, reli-
able, dedicated, innovative, and student-oriented teacher in the field of mechanical met-
allurgy, metallurgical thermodynamics, and atomistic modeling of materials. His
research focuses on the study of deformation behavior of nanostructured material using
MD simulation and modeling of metallurgical processes. Snehanshu Pal is leading the
Computational Materials Engineering and Process Modeling Research Group at NIT,
Rourkela, a group dedicated to realizing the underlying physics behind the mechanical
behavior of materials and simulating metallurgical processes (http://www.snehans-
huresearchlab.org). He has published more than 60 high-impact research articles in
internationally reputed journals. He has supervised three doctoral theses and several
master theses. He is an investigator of numerous sponsored research projects and
industrial projects. He has active research collaborations with esteemed universities
across the globe (such as the University of Florida, the University of Manitoba,
Université Lille, and the National Academy of Science of Belarus). In addition,
Snehanshu Pal is associated with various esteemed technical and scientific societies
such as Indian Institute of Metals and Indian Institute of Engineers.

Bankim Chandra Ray has worked at the National

Institute of Technology (NIT), Rourkela, India, since
1989. A dedicated academician with more than three
decades of experience, Bankim Chandra Ray cur-
rently holds a full professor position since 2006 at
NIT, Rourkela. He received his PhD in Metallurgical
and Materials Engineering from the Indian Institute
of Technology, Kharagpur, India, in 1993. In addition
to instructing students in the field of phase transfor-
mation and heat treatment, he has also guided many
master’s degree and PhD scholars. He has made

xix
xx Authors

seminal contribution in the field of phase transformation and heat treatment and com-
posite materials. As an adept administrator, he has also served as the dean of faculty,
head of the department of the Metallurgical and Materials Engineering department
and as an incumbent coordinator of the Steel Research Center at NIT, Rourkela. His
research interests are mainly focused on the mechanical behavior of FRP composites.
He is leading the Composite Materials Group at NIT, Rourkela, a group dedicated to
realizing the technical tangibility of fiber-reinforced polymer (FRP) composites
(https://www.frpclabnitrkl.com). With numerous highly cited publications in promi-
nent international journals, he has contributed extensively to the world literature in
the field of material science. He also holds a patent deriving from his research. With
nearly 150 publications in reputed journals in his credit, Prof. Ray has also authored
many books and book chapters from the leading publishers. With his association with
several prestigious societies such as Indian Institute of Metals, Indian National
Academy of Engineering, and many more governmental and private organizations,
the constant endeavor toward academics and his field of specialization have been
unparalleled and yet thoroughly inspiring for many young engineering minds. As an
advisor to New Materials Business, Tata Steel Ltd., he has been instrumental in facili-
tating the steel honcho’s foray into the FRP composites business.
 1 Structural Description
of Materials

1.1 ATOMIC ARRANGEMENTS IN MATERIALS

Materials are made up of atoms, molecules, and ions present in different states such as
gas, liquid, and solid. According to the kinetic molecular theory, the atoms/molecules
in solids vibrate and rotate at their respective places instead of moving. Solids have
stronger attractive forces to hold molecules/atoms in contrast to liquids and gases.
Solids acquire definite shapes and volumes and can also withstand some amount of
shear forces without undergoing any deformation. Furthermore, solids can be broadly
classified into two major categories, crystalline solids and amorphous solids, which are
shown in Figure 1.1. In crystalline solids, the atoms, ions, or molecules are arranged
in a regular, well-defined periodic manner. In amorphous solids, the arrangement of
atoms, ions, or molecules is disordered, with lacking periodicity.
Crystalline solids can be divided into following four categories based on the
types of particles (atom/ion/molecule) present and the types of bonding between the
particles:

1. Ionic solids
2. Metallic solids
3. Covalent network solids
4. Molecular solids

The constituent particles, type of effective binding forces, and properties of different
crystalline solids along with examples are presented in Table 1.1.

1.1.1 Periodicity in Crystals and Symmetry Elements

The basic difference between crystals and non-crystals is that atomic arrangement
in crystals is in the form of a periodic array in a space. Such kind of periodic array
constitutes a three-dimensional (3D) representative unit of a structure, where a group
of atoms/molecules is repeated after regular intervals. Such a 3D array of points
having identical surroundings may be defined as space lattice. If the periodicity in
the structure along a line is a1, then position of any lattice point along the line can
be identified by a translation operation, ru = ua1. In case of two-dimensional (2D)
and 3D arrangements, similarly, ruv = ua1 + va2 and ruvw = ua1 + va2 + wa3 will be
translational vectors, respectively, where u, v, and w are the integers. Figure 1.2a–c
illustrates 2D and 3D cubic lattices. Unit cell is the smallest unit of volume that

1
2 Molecular Dynamics Simulation of Nanostructured Materials

FIGURE 1.1 Transformation and reverse transformation between various states of matter
with the application of heating or cooling.

TABLE 1.1
Categories of Solids and Their Salient Features
Type of Form of Unit Forces Between
Solid Particles Particles Solubility Examples
Molecular Atoms or London dispersion Depends on the Argon (Ar), methane
molecules forces, dipole-dipole polarity of the (CH4), sucrose
forces, hydrogen bonds molecules (C12H22O11), dry ice
(CO2)
Covalent Atoms connected Covalent bonds Insoluble in all Diamond (C) and
network in a network of solvents quartz (SiO2)
covalent bonds
Ionic Positive and Electrostatic attractions Soluble in Typical salts such as
negative ions polar solvents NaCl and Ca(NO3)2
Metallic Atoms Metallic bonds Insoluble in all All metallic
solvents elements: Cu, Fe,
Al, Pt, etc

permits identical cells to be stacked together in a lattice space; therefore, the entire
crystal lattice can be created by repeating the pattern of the unit cell over and over
in all directions. If a unit cell is constructed without any overlap with another unit
cell and is also free from any kind of defect, then it is called a primitive unit cell.
A body is considered to be symmetrical when it is reproduced by certain symmetry
operations such as translation, rotation, reflection, and inversion.
Structural Description of Materials 3

FIGURE 1.2 (a) and (c) are examples of two-dimensional lattices, indicating several possible
sets of primitive basis vectors. (b) shows three-dimensional cubic lattices.

1.1.2 Crystal Lattices and Structures

There are numerous ways in which the atoms can be arranged periodically in dif-
ferent lattices. These are known as the Bravais lattices. The combination of lattice
(how to repeat) and motif (what to repeat) constitutes the crystal structure. A perfect
crystal is the one in which all its lattice points are occupied by atoms, without any
defects. However, such a scenario is not practically possible, as defects exist in the
materials. In entirety, there are 7 crystal systems and 14 unique and non-repeating
Bravais lattices, which are listed in Table 1.2.

TABLE 1.2
The Seven-Crystal Structures and Their Structural Features
Relation Between Relation Between Bravais Lattices,
Sl. No. Crystal System the Sides the Angles Number and Types
1. Cubic a=b=c α = β = γ = 90° 3 = S, BC, FC
2. Tetragonal a=b≠c α = β = γ = 90° 2 = S, BC
3. Hexagonal a=b≠c α = β = 90°, γ = 120° 1=S
4. Orthorhombic a≠b≠c α = β = γ = 90° 4 = S, BC, FC, EC
5. Rhombohedral a=b=c α = β = γ ≠ 90° 1=S
6. Monoclinic a≠b≠c α = β = 90°, γ ≠ 120° 2 = S, EC
7. Triclinic a≠b≠c α ≠ β ≠ γ ≠ 90° 1=S
S: simple, BC: body center, FC: face center, EC: end center.
4 Molecular Dynamics Simulation of Nanostructured Materials

The most common primitive unit cells include Wigner-Seitz cell. The construc-
tion of the Wigner-Seitz cell is as follows [1]:

• Draw lines in order to connect a lattice point to all its neighboring points
present in the lattice.
• Bisect each constructed line with a plane normal to this line, as presented
in Figure 1.3a.
• The Wigner-Seitz cell is the smallest polyhedron bound by these planes.
Figure 1.3b illustrates the Wigner-Seitz cell for a body-centered cubic
Bravais lattice, where square and hexagonal faces can be seen.

Based on the symmetry considerations, 2D Bravais lattices can be classified into five
categories. The most common lowest symmetry lattice includes the oblique ­lattice,
which is invariant when rotated at an angle of π. There are four special lattice types
that are invariant under numerous rotations and reflection symmetry ­operators.
The constraints on the unit cell axes and angles for the aforementioned special lat-
tice types are listed in Figure 1.3c, for example, monolayer materials such as graphene
and boron. They may be quite large and contain many unit cells (quasi-infinite), or
they may be of finite size or long ribbons of a nanoscale width.
Considering symmetry, 3D Bravais lattices can be assorted into 14 types. They are
classified into seven types of unit cells based on their restrictions on the unit cell axes
and angles for each of the 3D Bravais lattice types. For example, the cubic lattice
includes simple cubic, body-centered cubic, and face-centered cubic. Here, the tri-
clinic lattice is the most common, and there are 13 more special lattice types.

FIGURE 1.3 (a) A line is bisected with a plane normal to it, (b) Wigner-Seitz cell, (c) general
3D unit cell, and five types of 2D Bravais lattices.
Structural Description of Materials 5

TABLE 1.3
Crystal Systems and Their Symmetry Elements
Sl. No. System Minimum Symmetry Elements
1. Cubic Four 3-fold rotation axes
2. Tetragonal One 4-fold rotation (or rotation-inversion) axis
3. Orthorhombic Three perpendicular 2-fold rotation (or rotation-inversion) axes
4. Rhombohedral One 3-fold rotation (or rotation-inversion) axis
5. Hexagonal One 6-fold rotation (or rotation-inversion) axis
6. Monoclinic One 2-fold rotation (or rotation-inversion) axis
7. Triclinic None

There are a multitude of symmetry elements such as reflection, rotation, roto-

inversion, and others. For example, a cubic system has twofold, threefold, and fourfold
axes, while a hexagonal system possesses a sixfold symmetry. Crystal systems and their
symmetry elements are presented in Table 1.3.

1.1.3 Crystal Directions and Planes

The lattice planes present in a crystal are denoted by their Miller indices, which can
be determined by considering the reciprocal of the intercept of the three vectors x,
y, and z with the planes, as shown in Figure 1.4. The same figure depicts the general
scheme in three dimensions, with the intercepts at p, q, and s. Subsequently, the
reciprocals of these intercepts (1/p, 1/q, and 1/s) are considered and multiplied with
the lowest common denominators to obtain a set of integers (hkl), thus describing

FIGURE 1.4 General lattice planes.

6 Molecular Dynamics Simulation of Nanostructured Materials

the (hkl) plane. The h, k, and l are referred to as the Miller indices. Figure 1.4 illus-
trates (100), (110), and (111) lattice planes of a simple cubic with high symmetry.

1.1.4 Crystallographic Angles
In this section, we will focus on the interfacial angle and pole, as well as the usage
of an instrument to measure the interfacial angle. The angle between the two adja-
cent faces of a crystal can be defined as the interfacial angle. The interfacial angle
can be identified by the angles between the lines drawn perpendicular to the faces,
as illustrated in Figure 1.5. The interfacial angle may be determined by a contact
goniometer (refer Figure 1.6). Measurement of the internal angle between the two
adjacent faces of a crystal is shown in Figure 1.6.

FIGURE 1.5 Interfacial angle.

FIGURE 1.6 Contact goniometer, which measures the interfacial angle.

Structural Description of Materials 7

FIGURE 1.7 Spherical projection to define the crystallographic angle.

Subsequently, we need a methodical approach to define the crystallographic

angles; this can be accomplished by using spherical projection. Now, consider that
we have a crystal in the center of a sphere (refer Figure 1.7). From each crystal face,
draw a line perpendicular to the sphere face (i.e., poles to the face). Let us assume the
crystal face to be (010). The pole to the (010) face will coincide with the b crystal-
lographic axis, and this will impinge inside the surface of the sphere at the equator.
We define this face (010) to have an angle ϕ = 0°. For any other face, the ϕ angle
will be measured from the b axis in a clockwise direction in the plane of the equator.
Now, we define the ρ angle as the angle between the c axis and pole to the crystal
face, as depicted in Figure 1.7. In Figure 1.7, the ρ angle is measured in the vertical
plane encompassing the axis of the sphere and the face pole, while the ϕ angle is
measured in accordance to the horizontal equatorial plane. Here, the (010) face has
an angle ρ = 90°. These aforementioned angular measurements are similar to those
that we use for latitude and longitude to plot positions of points on the earth’s surface.
Another example illustrating the ρ and ϕ angles for the (111) crystal face is shown
in Figure 1.8. The ρ angle is measured in the vertical plane encapsulating the c
axis and the face pole, while the ϕ angle is measured in the horizontal plane in a

FIGURE 1.8 The ρ and ϕ angles for the (111) crystal face.
8 Molecular Dynamics Simulation of Nanostructured Materials

clockwise direction from the b axis. In general, the ρ and ϕ angles of the spher-
ical projection are given for each face of a crystal. If these are known, then the
actual angles between any two faces can be obtained easily through trigonometry
or by using stereonets, which will been discussed in the subsequent sections. These
angular relationships between crystal faces reflect the ordered internal arrangement
of atoms, and thus, the external symmetry depends on the internal symmetry of a
­crystal. Moreover, in a distorted crystal, which displays crystal faces, the symmetry
can be determined by the angular relationships. This can be achieved by invoking a
method of projection of crystallographic angles known as stereographic projection.

1.1.5 Stereographic Projections
Angular relationships between the faces of a crystal play an important role in deter-
mining the internal arrangement of atoms in an ordered fashion and the internal sym-
metry, even in a distorted crystal, which displays crystal faces. External symmetry of
a crystal largely depends on its internal symmetry, and such kind of dependency of
the symmetry on angular relationship can be easily witnessed and understood using
a method of crystallographic angle projection called stereographic projection.
Stereography is a graphical method or technique used in crystallography to deter-
mine the angular relationship between the lattice planes and directions in crystals.
One can schematically represent the 3D view of a crystal on a 2D paper, using ste-
reographic projection, to simplify the arrangement of atoms. In addition, it is used to
interpret the Laue photographs for the orientation of crystals.
For the representation of the orientation of the plane, the following steps are to
be followed:

• Imagine that a crystal is inside a sphere (inscribed sphere).

• Draw a normal to the plane.
• The point where the normal intersects, the inscribed sphere is known as the
pole of the plane (refer to Figure 1.9).

FIGURE 1.9 {100} poles of a cubic crystal.

Another random document with
no related content on Scribd:
The Project Gutenberg eBook of Köynnöksiä
This ebook is for the use of anyone anywhere in the United States
and most other parts of the world at no cost and with almost no
restrictions whatsoever. You may copy it, give it away or re-use it
under the terms of the Project Gutenberg License included with this
ebook or online at www.gutenberg.org. If you are not located in the
United States, you will have to check the laws of the country where
you are located before using this eBook.

Title: Köynnöksiä
Kimppunen runoelmia

Author: Juho Laine

Release date: December 14, 2023 [eBook #72404]

Language: Finnish

Original publication: Pori: Adolf Allardt, 1887

Credits: Tapio Riikonen

*** START OF THE PROJECT GUTENBERG EBOOK

KÖYNNÖKSIÄ ***
KÖYNNÖKSIÄ

Kimppunen runoelmia

Kirj.

JUHO LAINE

Porissa, Adolf Allardt, 1887.

SISÄLLYS:

Köynnöksiä.
Keski-Suomen laulu.
Alppimaa ja maa.
Serenaati.
Ballaati.
Haavan lehti.
Orvon osa.
Synnyinmaa.
Suomen tunteet silloin.
Kolme laulua.
Keiteleellä.
Miksi en laulaisi minäkin.
Sureva.
Uneksija.
Äänet kaivatun.
Sukkamieli.
Laakson rauha.
Lennä tuulonen!
Hyvästi jättävälle pääskyselle.
Raittiusseura Alphan uuden kodin vihkiäisissä 30.5.1887.
Porin Suomalaisen lysein arpajaisissa 10.3.1887.
Talvi-illalla.
Immen tuska.
Luoman Herska.
Tyytyös sydämeni.
Iltakello.
Aamuhetki.
Taivas.
Muutos.
Turvaton.
Laula lintuseni.
Ilma-orpo.
Impi.
Eräs virkamies.
Suomen kansakoulukartta 1882.
Wäinöläisten maa.
Lintuselle.
Henrik Gabriel Porthan.
Elokuun ilta.
Puolueoloistamme.
Köynnöksiä.

Kuun taiteilijamme taas tuovat esille ihmeluomiansa, niin

tottapa he mun myös suovat koristaa kokoelmiansa halvoilla
köynnöksilläni.

Ne eivät loistoisuutta luoda voi suurten henkein tuottehille;

jos ne vaan vihannuutta suoda vois taiteen kukkain ympärille,
niin miel' ois hyvä sitojan.

Ken muuta kankaan kanervilta, suon sammalilta, pyytää

voisi, valjuilta metsän kukkasilta: Värit vaan kansalliset oisi ja
tuoksu raitis Köynnösten!

Keski-Suomen laulu.

Keski-Suomi, kultainen, mun ihanteeni kallis! Ei maata

mulle vertaa sen, ei missään mun niin hertainen, jos onni
kuinka sallisi

Syntyyhän siinä sointuisuus, kun jalo jaloon ryhtyy, kun

siellä Savon ihanuus ja Hämeen vieno herttaisuus suloihin
Pohjan yhtyy.

Niin rinnoissamme yhtyköön,

mi suurt' on elämälle!
Se tulkoon täällä täytäntöön,
ja Suomen sydän sykkiköön
pyhälle, ylevälle!
 Ei missään laaksot kukkulat — sen vakuutan mä varmaan
— niin viehtävät, niin vaihtuvat, niin lumoovat, niin loistoisat,
kuin Keski-Suomen armaan!

Sen taivas kuin on sininen,

kuin raitis ilman tuoksu!
Kuin armas välke aaltojen
on siintävien selkien,
kuin vilpas virtain juoksu!

Sen lehdot koivu kaunistaa ja pihat pihlas, tuomi, ja

varjoaan niin kalveaa sen aarnimetsät tarjoaa — oi, armas
Keski-Suomi!

On luonto saita, raskas työ, vaan kansa tuo ei suutu: jos

viljat viekin hallayö, tai karjan kaiken surma lyö, ei uskallus
sen muutu.

Niin luja luottamuksessaan

on Keski-Suomen kansa.
Se uskoo, toivoo toimissaan
ain' isiensä Jumalaan
ja alkaa uudestansa.

Oi, Keski-Suomi, kerron sen, kerronpa tuhat kertaa: Se

mulle on niin mieluinen, niin armas, kallis, kultainen — ei
maailmassa vertaa!

Alppimaa ja Tuhatjärvien maa.

 Kun maisemiini! kankaisiin nyt aatteheni entää, pois
Pohjolasta armaisiin ne Alppimaihin lentää.

Oi, näkö jalo, mahtavin,

kun päivä sammuissansa
jää-alppein, valkohuippuihin
luo kultahohdettansa!

Siell' ohjaa virrat hyppien

kulkunsa rintehillä
ja paimen laulain, riemuiten
karjaansa kaitsee niillä.

Ja laakson lasta hedelmät

ja viiniköynnöt kohtaa,
siell' löyhkää tuulet lempeät
ja ruusut tuoksuin hohtaa.

Oi, sinne, sinne onneni

jos johtais Pohjolasta,
niin riemuun rinta riutuisi —
oi onnee autuasta!

Vaan outo maahan mulle se,

ja vierashan sen kansa,
ja eestä sen ei isämme
oo kuolleet hurmeissansa.

Ja Väinön kaunis kantele

ei kaiu Alppimailla,
eik' impi vieras viehtäne
Suomettaremme lailla.
 Ei, Pohjolaanpa herttaiseen.
taas aatteheni halaa,
pois Alppimailta armaiseen
ne synnyinmaahan palaa.

Oi, kallis tuhatjärvein maa, sä armain taivaan alla! Voi

kurjaa, ken sun unhottaa, ei muista kaipaamalla!

Serenaati.

Sä vielä armas uinuos, suloista unta nauttios, uinuupa

laakson ruusukin ja on niin huoleton. Vait nukkuu lintu
oksallaan, ei liiku rannan ruohokaan, mun rintani, oi armahin!
vaan riehuu rauhaton.

Mä aina laulan sinusta, sä nähkös unta minusta, oi,

käsikkäin sun kanssasi mun nähkös astuvan! Ei vainenkaan,
ah, anteeks' suo! Ois' sulle halpaa uni tuo — sä nähnet,
suloenkeli, vaan unta taivahan!

Ballaati.

Tuoll' laiva kauas kantaa pois armaan Arnoldin, vie kohden

toista rantaa pois toisiin riemuihin. Uus onni oottaa siellä, uus
lempi leimahtaa, sen entisen jo tiellä tuul' ehtii sammuttaa.
 Vaan rannan kalliolla näät immen itkevän. Ei ruusunen voi
olla niin ihana kuin hän. Vaan yhtään armahdusta ei tunne
Arnold tuo, ei liinan liehausta jäähyväisiksi suo.

Jo viimein tuskassansa sanoiksi Agnes saa, ja

ruusuhuuliltansa rukoillen huudahtaa: Mua Neitsy pyhä
kuullos, jo loppu mulle suo! Tuo laiva kumoon tuullos,
viekkaalle hauta luo!

Niin silloin taivahalta salama leimahtaa, immeltä surevalta

se tuskat lopettaa. Ja laivan siellä myrsky pirstaili kareihin ja
tuulen tuima hyrsky hukutti Arnoldin.

Ja aina siitä asti rannalla ruusunen kukoistaa ihanasti

muistoksi impyen. Vaan huuhkain huutaa yhä haudalla
petturin; niin Neitseen viha pyhä on kiivas vieläkin.

Haavan lehdet.

Hiljaiseksi ehti päivä myrskyinen, joka kukka, lehti vaipui

unehen. Tuul' ei järven pintaan värettäkään luo, myöskin
ihmisrintaan tyynen ilta tuo.

Haavan-lehdet ei saa rauhaa milloinkaan, vapisten ne

veisaa suruvirttä vaan. Miksi värisette, mikä kauhistaa?
Rauhaa miksi ette hetkeksikään saa?

Ristiin Golgatalla vaipuu kuolohon kirouksen alla pyhä,

nuhteeton. Sitä lehdet yhä itkee vapisten, että risti pyhä oli
haapainen.
 Haavan lehti vainen ihmissydän on, haavanlehden lainen
aina rauhaton. Vaan kun myrsky pauhaa, rintaraukkahan
luoda voipi rauhaa risti Golgatan.

Orvon osa.

Voi orpolapsen kohtalo, kuin onpi onneton, kuin kylmä,

kolkko, tyhjä maailma hälle on!

Kuin toivotonna katselee

hän kautta kyynelten!
Ja kaipaus niin karvas
on murtaa sydämen.

Nyt sanat oudot, ankarat

vaan soivat korvissaan,
tai kiusaukset kuiskaa
virittäin paulojaan.

Sä ohjaa häntä oikeaan ja sana hellä suo, ja johda

taivahasen isän ja äidin luo!

Synnyinmaa.

Suomi suloinen synnyinmaamme on, armas, verraton,

kallis, kultainen! Sitä rakastaa on niin ihanaa!
 Tässä on se maa, tuhatjärvinen, kenpä voisi sen koskaan
unhottaa! Sitä rakastaa on niin ihanaa!

Täss' on vuotanut veri isien, tässä eestä sen moni

kaatunut. Sitä rakastaa on niin ihanaa!

Terve, synnyinmaa! Elo iloineen, onni suloineen sulta

suojan saa. Sua rakastaa on niin ihanaa!

Suomen tunteet silloin.

Kauhun viesti kaikui kautta maamme: Surmattu on

Suuriruhtinaamme! Salamaapa tuimaa tuimemmin uskollisiin
iski rintoihin sana hirmun, sanoma semmoinen: Murhattu on
— Alexander Toinen.

Mykiks jäimme, tunteet kieltä puuttui,

jäätyneinä sanat suuhun juuttui,
silmät vettyi, kasvot synkistyi:
Kiro, inho rikkojille, hyi!
Mutta Ruhtinaalle siunausta
sykkii sydän, murehesta musta.

Käydään alla päin ja murhemielin.

Surua ei kertoa voi kielin.
Mustissansa rikas vaikeroi,
köyhä ryysyissänsä huokaa: Voi!
Yhtä uskollinen heillä rinta
yhtä tuntee tuskaa katkerinta.
 Hurmahenget, joukko murhaajitten!
Herran voideltuun kuin rohkenitten
saastakäsiänne satuttaa!
Rikoksenne painoon hukkuu maa.
Kostonhuuto suista miljoonista
kaikuu teille maista, taivahista!

Varjele, oi Herra, heistä meitä!

Auta käymään hurskauden teitä!
Poista pois tää murheen musta yö!
Siunaa Aleksander Toisen työ!
Suo sen jatkua ja heelmää tuottaa!
Sinuun Suomi toivoo, Sinuun luottaa!

Kolme laulua.

Äidin käsky.

Nyt, poikan' eestä synnyinmaan käy taistoon rohkeasti! Käy

niinkuin mies voi käydä vaan jalosti, uljahasti! Miehuus on
poikain Suomenmaan ihanne ollut ainiaan. Kansaasi
kunnioita! Sä sankariksi koita ja voita — taikka kuole!

Pojan vastaus.

Jo, äitikulta, valmis oon,

jo riennän riemumieliä
mä tuiminpaankin taisteloon,
lyön, voitan kaikki siellä!
Jos voittaa en voi, kuolla voin!
Oi, kuin lie armas kuolla noin!
Vaan väistyä en saata
ja sulo Suomenmaata
en laata
puoltamasta!

Molempain toivotus.

Het' iske nuoles' ukkonen ja puhkaise sen rinta, ken

puoltamaan käy nurkuen, mi hälle kallihinta! Sä, taivas,
syönny kostamaan! Maa elävältä nielaiskaan sen petturinsa
hurjan, sen arkamielen nurjan, sen kurjan kavaltajan!

Keiteleellä.

Oi, hetkeä juhlallisinta, mi nauttia suotanehen, kun tyyni ja

kirkas on pinta sinertävän Keitelehen! Ylt' ympäri vehreät
saaret ja kukkulat rantamien, illan ruskot ja taivahan kaaret
kuvastuvat pintahan sen.

Ja hääväki soitellen soutaa sen salmia riemullinen. Mies

nuori se neitosen noutaa, vie myötänsä morsiamen. Jo
ammoin on aaltojen mahti masentunut hyrskehinen, veen
helmahan vallaton Ahti on vaipunut hiljaisehen.
Miksi en laulaisi minäkin.

Nuo lintuset pienet ne laulaa vaan ja riemuinen heillä on

mieli, ja tulkita helliä tunteitaan on taitava, kerkeä kieli. Heill'
lauluja riittää, he luojaansa kiittää ja onnensa kylläisen
heelmiä niittää.

Niin, miks'enpä laulaisi minäkin, kun luonan' on lempeä

kulta? On pesä ja poikaset mullakin ja rinnassa lemmen on
tulta. On Suomeni salo suur', ihana, jalo ja siellä mun ympäröi
vapaus, valo!

Oi, lintuni, lintuni laulelkaa, jos minäkin luontonne saisin, jos

huoleni voisin mä unhottaa ja rintani riemastuttaisin! Ehk'
onnea oisi, mi lauluja loisi ja rintahan rauhaa, sointua soisi.

Sureva.

Kosken immet ilkkuellen viskelevät valkovaippojaan,

rannikolla riemuellen rehkiilevät ilkitoimissaan. Iltapaiste
kultaileepi laakson kukkamaisemaa, tyyni rauha vallitseepi,
koski huima pauhajaa.

Virratarten viettäessä ilkamoiden ilta-aikojaan, rannalla on

itkemässä vaikeroiden impi huoliaan. Kosken immet sulhon
ovat vietellehet virtahan, siit' on hällä huolet kovat, siitä itkut
ainian.
 Surevalle lohdutusta rastahainen laulaa oksaltaan; Miksi
kannat kaipausta kaunokainen karvast' aina vaan? Sulholoita
impi moinen valikoiden aina saa, huolen haavat aika toinen,
onnekkaampi parantaa.

— Ken noin säälimättä haastaa, kehotuksen lausuu

mokoman? Kurjalta näin riistää, raastaa lohdutuksen viime
pisaran! Kenehen mä vaihettaisin kuvan armaan ainoan!
Hänet noin vaan unhottaisin! — itsen' ennen unhotan!

Näin hän virkkoi, päivän valon silmissänsä tunsi

sammuvan. Kosken kivellä hän jalon ystävänsä näki istuvan.
Poispa huolihunnun heitti, läksi uimaan uhmaten. läks' aallot
immen peitti — harhanäky petti sen!

Uneksija.

Kas kuinka autuana vaan tuoss' immyt uinahtaa, on

kultakutrit valloillaan ja posket ruskottaa.

Kas, kuinka ruususuukkonen

hymyillen muiskahtaa,
ja nimen kuinka hentosen
nuo huulet kuiskahtaa.

Hän sulholtaan sai suutelon, oi, toisen saanut ois, vaan

heräsi — voi onneton! Unelma haihtui pois!
Äänet kaivatun.

Istuin kukkakunnahalla, mietin, haaveksin; luonnon riemu

kaikkialla kaikui korvihin.

Pääskyn, peipon, kiurun kiltin

riemulaulut soi,
laitumella paimenpiltin
huilu huminoi.

Äänet armahammat noita

herättävät mun —
ne on armaan lauleloita,
ääntä kaivatun.

Vait kuin muut ois' — ääntä kuulen yksin Annikkeen.

Laakson taivahaksi luulen mulle muuttuneen.

Sukkamieli.

Mfnut kaikki nukkuvat, mä yksin valvon.

Hopeillaan kuuhut silaa virran kalvon.
Ja lahden tyynen pintahan
kuvastuu tähdet taivahan.

Mä mietin: Suurin onni lie nyt kellä?

Oi, kuu, sä oot niin herttainen ja hellä!
Niin kuiskaa mulle, hiljaa vain,
ken luoduist' on nyt onnekkain!
 Et virka, luulenpa, se — lienet itse!
Vai sinä! Varjostinten reikäsitse
yön kaiken katsot kasvoihin
Ilmaani — siksi valvotkin!

Laakson rauha.

Sain laakson helmaan rauhaiseen taas metsän siinekseen,

suv'illan tyyntä nauttimaan sylissä salomaan.

Oi, tääll' on armas viivähtää,

kun linnut visertää,
ja mieliraukka rauhan saa
ja tuskans' unhottaa!

Niin nautin rauhan hiljaisen

autuutta hetkisen.
On häly turha hälvennyt
ja sydän viihtynyt.

Oi, laakson rauha, ainiaan jää mieleen' asumaan! Sä

keskell' elon hyörinää jää sydämeeni, jää!

Lennä tuulonen!

Lennä, tuulonen, riennä joutuen! Liidä luokse armahan

ikävissä istuvan. Huolissaan hän ehkä lie. Tervehdyksein
 hälle vie! Lennä tuulonen, riennä joutuen!

Kyyneleiset pyyhi pois, silmissään jos niitä ois, huolet

poista neitosen, niinkuin usmat ilmojen. Viestin jos hän sulle
suo Kiiruhtain se mulle tuo. Lennä tuulonen, riennä joutuen!

Hyvästi jättävälle pääskyselle.

Sun kelpaa, pääsky, kun leikiten voit pilvihin asti kiitää! Voit
ilmain halki sä laulellen maan äärihin vaikka liitää. Niin silmätä
saat sä meret, maat, ja seutua verrata seutuun saat.

Sun kelpaa, pääsky, oi, kelpaahan maa jättää ja toisehen

lentää; voit jättää nää pakkaset pohjolan ja etelän riemuihin
entää. Kuink' oisikin armas vaihtaa niin syyskenttiä laaksoihin
tuoksuviin!

Vaan murheellisnapa laulus' soi,

kun mieles' on matkahan mennä.
Miks' iloinen et sä olla voi,
et riemuun riemuiten lennä?
On virtesi huolta, huolta vaan
ja kaihoa rintasi tulvillaan.

Sun lauluis tuosta on haikeaa

ja tuostapa kaihoa kannat:
Sun jättää täytyvi synnyinmaa,
veet, ilmat ja rakkahat rannat.