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Title: Disentangling the effects of non-adiabatic interactions upon ion self-diffusion within warm dense hydrogen
Warm dense matter is a material state in the region of parameter space connecting condensed matter to classical plasma physics. In this intermediate regime, we investigate the significance of non-adiabatic electron-ion interactions upon ion dynamics. To disentangle non-adiabatic from adiabatic electron-ion interactions, we compare the ion self-diffusion coefficient from the non-adiabatic electron force field computational model with an adiabatic, classical molecular dynamics simulation. A classical pair potential developed through a force-matching algorithm ensures the only difference between the models is due to the electronic inertia. We implement this new method to characterize non-adiabatic effects on the self-diffusion of warm dense hydrogen over a wide range of temperatures and densities. Ultimately we show that the impact of non-adiabatic effects is negligible for equilibrium ion dynamics in warm dense hydrogen. This article is part of the theme issue ‘Dynamic and transient processes in warm dense matter’.  more » « less
Award ID(s):
2045718
PAR ID:
10430428
Author(s) / Creator(s):
; ; ;
Date Published:
Journal Name:
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
Volume:
381
Issue:
2253
ISSN:
1364-503X
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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