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3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
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3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Scalars, vectors, tensors
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Scalars, vectors, tensors
j1 = σ 11 E1 + σ 12 E2 + σ 13 E3
j2 = σ 21 E1 + σ 22 E2 + σ 23 E3
j3 = σ 31 E1 + σ 32 E2 + σ 33 E3
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Einstein’s convention
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Transformation of a vector
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Transformation of a vector
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Orthogonal Matrices
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Transformation of a tensor
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Transformation law for products of
coordinates
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Neumann’s principle
• the symmetry elements of any physical
property of a crystal must include all the
symmetry elements of the point group of the
crystal
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Symmetry constraints
• Determine the crystallographic point group
• Choose a generator group (set of symmetry
operation which fully generates the complete point
group symmetry)
• Transform all components of a tensor by each of
the symmetry elements
• Impose Neumann’s principle that a tensor
component and its transformed remain identical
for a symmetry operation
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Symmetry constraints
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Symmetry constraints
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Scalar, vector, tensor properties
• Mass (0), polarization (1), strain (2)
Z
Deformed
Undeformed
P u P' Y
Z
X u = R' - R P'
P
R R'
o Y
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Physical properties and
their relation to symmetry
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)
Curie’s Principle
• a crystal under an external influence will
exhibit only those symmetry elements that
are common to both the crystal and the
perturbin influence
3.012 Fundamentals of Materials Science: Bonding - Nicola Marzari (MIT, Fall 2005)