Principles of relativistic molecular dynamics in condensed matter physics


A. Yu. Zakharov, M. A. Zakharov


Yaroslav-the-Wise Novgorod State University



Abstract:

A method is proposed for studying the dynamics of systems of interacting atoms in terms of an auxiliary field, which in the state of rest of the atoms is equivalent to given interatomic potentials, and in the dynamic mode is a classical relativistic field. Within the framework of the auxiliary field concept, the following results were obtained. • It has been established that for central static interatomic potentials that admit a Fourier transform, the auxiliary field is a superposition of elementary auxiliary fields, each of which satisfies equations of the Klein-Fock-Gordon type with complex mass parameters [1,2]. • It has been proven that the elementary parameters are uniquely determined by the singular points of the Fourier transform of the static interatomic potential on the complex plane of the modulus of the wave vector [2,3]. • A variational formulation of the problem of the dynamics of a system consisting of relativistic atoms and the relativistic auxiliary field created by them is proposed [1]. • The form of the action functional was established and a complete system of equations for the dynamics of atoms and auxiliary fields in two forms was derived [1,2]. 1. The first form contains equations for the evolution of elementary auxiliary fields and atomic dynamics. It has been shown that signs of thermodynamic behavior are characteristic equally for both many-particle and few-particle systems [3,4]. 2. The second form of the system dynamics equations is a closed functional-differential equation of retarded type for the microscopic distribution function of atoms. • The relativistic effect of interaction delay leads to the phenomenon of heredity, since the solution to the Cauchy problem depends not only on the initial conditions, but also on the prehistory of the system. References: 1. A. Yu. Zakharov, V. V. Zubkov. Field-Theoretical Representation of Interactions between Particles: Classical Relativistic Probability-Free Kinetic Theory, Universe, 25:4 2022. 281(1)–281(10) 2. A. Yu. Zakharov. Field Form of the Dynamics of Classical Many- and Few-Body Systems: From Microscopic Dynamics to Kinetics, Thermodynamics and Synergetics, Quantum Reports, 4:4 2022. 533–543 3. A. Yu. Zakharov, M. A. Zakharov. Relativistic model of interatomic interactions in condensed systems. Condensed Matter and Interphases, 25:4 2023. 494–504 4. A. Yu. Zakharov, M. A. Zakharov. Microscopic Dynamic Mechanism of Irreversible Thermodynamic Equilibration of Crystals, Quantum Reports. 3:4 2021. 724–730