Is there a one-to-one correspondence between interparticle interactions and physical properties of liquid?
| Autor: | Mokshin, Anatolii V., Khabibullin, Roman A. |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Physica A: Statistical Mechanics and its Applications 608, 128297 (2022) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1016/j.physa.2022.128297 |
| Popis: | 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. Comment: 29 pages, 7 figures |
| Databáze: | arXiv |
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