Publication:
Radial Distribution Functions for Molecules in the Universal Equation of State Model for Gaseous/Fluid/Condensed Systems

Дата
2019
Авторы
Bogdanova, Y. A.
Gubin, S. A.
Maklashova, I. V.
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Научные группы
Организационные подразделения
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Организационная единица
Институт лазерных и плазменных технологий
Стратегическая цель Института ЛаПлаз – стать ведущей научной школой и ядром развития инноваций по лазерным, плазменным, радиационным и ускорительным технологиям, с уникальными образовательными программами, востребованными на российском и мировом рынке образовательных услуг.
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Аннотация
© 2019, Pleiades Publishing, Ltd.Analytical expressions and a numerical method for calculation of distribution functions of hard spheres gij(r) based on inverting the Laplace transform for functions rgij(r) obtained from the Percus—Yevick equation are obtained. The method for calculation of radial distribution functions is applicable for any distances between hard spheres; it is verified by comparison of numerical results and Monte Carlo simulations. The application of the developed method for calculation of the radial distribution functions of metal atoms is demonstrated. Distribution functions are required to construct a universal theoretical model of equation of state capable of describing both dense multicomponent gas and condensed substances (liquid or solid phases) with high accuracy which is substantially faster than computer experiments (Monte Carlo and molecular dynamics methods).
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Цитирование
Bogdanova, Y. A. Radial Distribution Functions for Molecules in the Universal Equation of State Model for Gaseous/Fluid/Condensed Systems / Bogdanova, Y.A., Gubin, S.A., Maklashova, I.V. // Physics of Atomic Nuclei. - 2019. - 82. - № 11. - P. 1481-1485. - 10.1134/S1063778819110036
URI
https://www.doi.org/10.1134/S1063778819110036
 https://www.scopus.com/record/display.uri?eid=2-s2.0-85082419428&origin=resultslist
 http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000520708000009
 https://openrepository.mephi.ru/handle/123456789/19492
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