PH 509 Computational Physics

2021-22 Semester-II, Lab - 03

Assignments are due on Wednesday (2 February 2022) by 08:00 am

1. Consider the motion of an electron (𝑚 = 1) in a one- dimensional Coulomb field

𝑉(𝑥) = 1/𝑥 [all in atomic units (a.u.)]

a. Using conservation of energy E, obtain the relationship between velocity and

position, v(x), for a given E.

b. Convert d2x/dt2 = F/m = −∂V/∂x into two first order ODEs.

c. Use RK2 to simulate the motion of the electron with initial conditions as:
position x0 = 5 a.u. and velocity v0 = −1 a.u. You need a proper derivative
function based on part (b). Plot position-time and velocity-time curves from
the beginning to when it returns to its original position. Also plot the phase
space trajectories, the v-x curves, one of the numerical results, and another of
the analytic result, part (a). How do they compare?

d. Repeat (c) with the leapfrog method. You would need a slightly different
derivative function than the one above.

e. Do the same using RK4, but with different initial conditions of x0 = 5 and v0 =
−4. You can use the same derivative function as in (c). Discuss and compare
the performance of the two methods relative to each other.
Observation: As you work on this problem, think about the following
questions. What would be the “characteristic” time scale? How did you
choose the time step size h relative to this time scale? Be conservative with h
because the potential is singular at the origin. Since the motion is unbound
(the electron can escape to x = ∞), is there still any advantage of the leapfrog
method compared to the RK2 method?

f. Explicitly demonstrate (via numerical experiments) the global accuracies of

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the RK2 (𝑂(ℎ )), Leapfrog (𝑂(ℎ )) and RK4 (𝑂(ℎ )) methods.
2. Chaos in a driven non-linear pendulum [Reading Giordano Section 3.3]
The following model of a driven, non-linear, damped pendulum contains some rich
and interesting physics.
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𝑑 θ/𝑑𝑡 =− (𝑔/𝑙) sin θ − 𝑞 𝑑θ/𝑑𝑡 + 𝑎𝐷 sin(Ω𝐷𝑡)
a. Reproduce Figure 3.6 in Giordano’s book. Keep the parameters the same as
mentioned in the caption of Figure 3.6

b. For the same set of parameters used in Figure 3.6, vary 𝑎𝐷to demonstrate the
onset of chaos as you increase the driving force. This can be calculated from
the Lyapunov coefficient λ . For example, Figure 3.7 shows a negative λ for
𝑎𝐷 = 0. 5 which changes sign to λ > 0 when 𝑎𝐷 = 1. 2. A positive Lyapunov
coefficient implies that two identical pendulums that start with nearly equal
(but not exactly) the same initial conditions will diverge exponentially.

c. Plot the phase space trajectory of the pendulums showing non-chaotic and
chaotic behavior. This should be accompanied by your comments and
observations.

d. Reproduce the so-called Poincare map (or Poincare section) shown in Figure
3.9 of the textbook but for all the the three cases: 𝑎𝐷 = 0, 0. 5 1. 2. Describe
what you mean by Poincare sections. Explain what you observe in your plots.

e. What changes to the equation for a driven, damped pendulum would you
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make to include a damping term that is quadratic in velocity (𝑑θ/𝑑𝑡) ?