Anharmonic inter-atomic potential ∼ |x| n , n > 1 , has been used in
molecular dynamics (MD) simulations of stress dynamics of FCC oriented crystal.
The model of the chain of masses and springs is found as a convenient and accurate
description of simulation results, with masses representing the crystallographic planes.
The dynamics of oscillations of two planes is found analytically to be given by
Euler’s beta functions, and its scaling with non-linearity parameter and amplitude
of oscillations, or applied shear pressure is discussed on examples of time dependencies
of displacements, velocities, and forces acting on masses (planes). The dynamics of
stress penetration from the surface of the sample with multiply-planes (an anharmonic
crystal) towards its interior is confirmed to be given exactly as a series of Bessel
functions, when n=2 (Schrödinger and Pater solutions). When n ̸= 2 the stress
dynamics (wave propagation) in bulk material remains qualitatively of the same nature
as in the harmonic case. In particular, results suggest that the quasi-linear relationship
between frequency and the wave number is preserved. The speed of the transverse
sound component, dependent on sound wave amplitude, is found to be a strongly
decreasing function of n. The results are useful in the analysis of any MD simulations
under pressure, as they help to understand the dynamics of pressure retarded effects,
as well as help design the proper methodology of performing MD simulations in cases
such as, for instance, studies of the dynamics of dislocations.