AB INITIO SIMULATION STUDY OF COLLECTIVE EXCITATIONS IN A MOLECULAR HYDROGEN FLUID

被引：0

作者：

Ilenkov, I. -M. ^{[1
,2
]}

Bryk, T. ^{[1
,2
]}

机构：

[1] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, 1 Svientsitskii St, UA-79011 Lvov, Ukraine

[2] Lviv Polytech Natl Univ, Inst Appl Math & Fundamental Sci, 5 Mytropolyta Andreia St, UA-79013 Lvov, Ukraine

来源：

JOURNAL OF PHYSICAL STUDIES | 2025年 / 29卷 / 02期

关键词：

molecular Hydrogen; collective excitations; generalized hydrodynamics; ab initio molecular dynamics; GENERALIZED HYDRODYNAMICS; LIQUID-METALS; DYNAMICS; MODES; WATER;

D O I：

10.30970/jps.29.2601

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

(Received 2025; April 2025; accepted April 2025; published 2025) We report a theoretical analysis of collective dynamics in a molecular Hydrogen fluid performed within a combination of ab initio molecular dynamics (AIMD) simulations and the approach of Generalized collective Modes (GCM). A five-variable thermo-visco elastic model of generalized hydrodynamics was applied to recover four different collective time correlation functions, obtained from AIMD. Dispersion of collective excitations in a molecular Hydrogen fluid, obtained from peak positions of the current spectral functions as well as from the GCM eigenvalues, is reported.

引用

页数：8

共 37 条

[1] NON-EQUILIBRIUM MOLECULAR-DYNAMICS SIMULATION AND GENERALIZED HYDRODYNAMICS OF TRANSVERSE-MODES IN MOLECULAR FLUIDS [J].