Kinetic equation for spatially averaged molecular dynamics

• Published in: Applicable analysis Vol. 101; no. 11; pp. 4014 - 4024
• Main Authors: Panchenko, Alexander, Cooper, Kevin, Kouznetsov, Andrei, Barannyk, Lyudmyla L.
• Format: Journal Article
• Language: English
• Published: Abingdon Taylor & Francis 24.07.2022; Taylor & Francis Ltd
• Subjects: 02.70.Ns; 05.20.Dd; 45.10.-b; 47.11.Mn; 83.10.Gr; 83.10.Mj; 83.10.Pp; deconvolution closure; Density; Kinetic energy; Kinetic equation; Kinetic equations; Kinetic theory; Low pass filters; low-pass filter; Macroscopic equations; Molecular dynamics; Oscillations; spatial averaging; time averaging

We obtain a kinetic description of spatially averaged dynamics of particle systems. Spatial averaging is one of the three types of averaging relevant within the Irwing-Kirkwood procedure (IKP), a general method for deriving macroscopic equations from molecular models. The other two types, ensemble a...