Physica A: Statistical Mechanics and its Applications, volume 608, pages 128297

Is there a one-to-one correspondence between interparticle interactions and physical properties of liquid?

Mokshin Anatolii V.

Khabibullin Roman A.

Publication type: Journal Article

Publication date: 2022-12-01

Elsevier

Journal: Physica A: Statistical Mechanics and its Applications

Quartile SCImago

Quartile WOS

Impact factor: 3.3

ISSN: 03784371

DOI: 10.1016/j.physa.2022.128297

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Statistical and Nonlinear Physics

Statistics and Probability

Abstract

In this study, we present the original method for reconstructing the potential of interparticle interaction from statistically averaged structural data, namely, the radial distribution function of particles in many-particle system. This method belongs to a family of machine learning methods and is implemented through the differential evolution algorithm. As demonstrated for the case of the Lennard-Jones liquid taken as an example, there is no one-to-one correspondence between structure and potential of interparticle interaction of a many-particle disordered system at a certain thermodynamic state. Namely, a whole family of the Mie potentials determined by two parameters $p_{ 1 }$ and $p_{ 2 }$ related to each other according to a certain rule can reproduce properly a unique structure of the Lennard-Jones liquid at a given thermodynamic state. It is noteworthy that this family of the potentials quite correctly reproduces for the Lennard-Jones liquid the transport properties (in particular, the self-diffusion coefficient) over a temperature range as well as the dynamic structure factor, which is one of the key characteristics of the collective dynamics of particles.

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Materials	Materials, 1, 33.33% Materials 1 publication, 33.33%
Physica A: Statistical Mechanics and its Applications	Physica A: Statistical Mechanics and its Applications, 1, 33.33% Physica A: Statistical Mechanics and its Applications 1 publication, 33.33%
Metals	Metals, 1, 33.33% Metals 1 publication, 33.33%
	1

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Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 2, 66.67% Multidisciplinary Digital Publishing Institute (MDPI) 2 publications, 66.67%
Elsevier	Elsevier, 1, 33.33% Elsevier 1 publication, 33.33%
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Mokshin A. V., Khabibullin R. A. Is there a one-to-one correspondence between interparticle interactions and physical properties of liquid? // Physica A: Statistical Mechanics and its Applications. 2022. Vol. 608. p. 128297.

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