We consider a system of interacting particles subjected to Langevin inertial dynamics and derive the governing time-dependent equation for the one-body density. We show that, after suitable truncations of the Bogoliubov-Born-Green-Kirkwood-Yvon hierarchy, and a multiple time scale analysis, we obtain a self-consistent equation involving only the one-body density. This study extends to arbitrary dimensions previous work on a one-dimensional fluid and highlights the subtelties of kinetic theory in the derivation of dynamical density functional theory.
Learned Free-Energy Functionals from Pair-Correlation Matching for Dynamical Density Functional Theory
TU Munich(慕尼黑工业大学);Munich Center for Machine Learning(慕尼黑机器学习中心);Van’t Hoff Institute for Molecular Sciences, University of Amsterdam(阿姆斯特丹大学范特霍夫分子科学研究所);Informatics Institute, University of Amsterdam(阿姆斯特丹大学信息学研究所);Institute for Theoretical Physics, Utrecht University(乌得勒支大学理论物理研究所)
Extended dynamical density functional theory for nonisothermal binary systems including momentum density
Johannes Gutenberg-Universität Mainz(美因茨约翰内斯·古腾堡大学);Heinrich-Heine-Universität Düsseldorf(杜塞尔多夫海因里希·海涅大学);University of Bayreuth(拜罗伊特大学);RWTH Aachen University(亚琛工业大学);DWI – Leibniz Institute for Interactive Materials(莱布尼兹交互材料研究所);University of Münster(明斯特大学)