Energy Relaxation Study for Warm Dense Matter Experiments

2010 ◽  
Vol 50 (1) ◽  
pp. 64-68 ◽  
Author(s):  
M. Schlanges ◽  
Th. Bornath ◽  
J. Vorberger ◽  
D.O. Gericke
Keyword(s):  
Dense Matter ◽  
Energy Relaxation ◽  
Warm Dense Matter ◽  
Relaxation Study

Scaling relationships for nonadiabatic energy relaxation times in warm dense matter: toward understanding the equation of state

2016 ◽  
Vol 18 (47) ◽  
pp. 32466-32476 ◽  
Author(s):  
Ekadashi Pradhan ◽  
Rudolph J. Magyar ◽  
Alexey V. Akimov
Keyword(s):  
Energy Transfer ◽  
Equation Of State ◽  
Electron Energy ◽  
Mass Density ◽  
Relaxation Times ◽  
Dense Matter ◽  
Energy Relaxation ◽  
Warm Dense Matter ◽  
Transfer Rates ◽  
Scaling Relationships

The dependence of nonadiabatic ion-electron energy transfer rates in warm dense aluminum on the mass density and temperature with decoherence changing this relationship qualitatively.

scholarly journals Warm dense matter simulation via electron temperature dependent deep potential molecular dynamics

2020 ◽  
Vol 27 (12) ◽  
pp. 122704
Author(s):  
Yuzhi Zhang ◽  
Chang Gao ◽  
Qianrui Liu ◽  
Linfeng Zhang ◽  
Han Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Electron Temperature ◽  
Dense Matter ◽  
Temperature Dependent ◽  
Warm Dense Matter

scholarly journals An Investigation into the Approximations Used in Wave Packet Molecular Dynamics for the Study of Warm Dense Matter

Plasma ◽  
2021 ◽  
Vol 4 (2) ◽  
pp. 294-308
Author(s):  
William A. Angermeier ◽  
Thomas G. White
Keyword(s):  
Molecular Dynamics ◽  
Wave Packet ◽  
Hydrogen Plasma ◽  
Valence Bond ◽  
Dense Matter ◽  
Basis Set ◽  
Warm Dense Matter ◽  
Scaling Parameters ◽  
Oppenheimer Approximation ◽  
Semi Empirical

Wave packet molecular dynamics (WPMD) has recently received a lot of attention as a computationally fast tool with which to study dynamical processes in warm dense matter beyond the Born–Oppenheimer approximation. These techniques, typically, employ many approximations to achieve computational efficiency while implementing semi-empirical scaling parameters to retain accuracy. We investigated three of the main approximations ubiquitous to WPMD: a restricted basis set, approximations to exchange, and the lack of correlation. We examined each of these approximations in regard to atomic and molecular hydrogen in addition to a dense hydrogen plasma. We found that the biggest improvement to WPMD comes from combining a two-Gaussian basis with a semi-empirical correction based on the valence-bond wave function. A single parameter scales this correction to match experimental pressures of dense hydrogen. Ultimately, we found that semi-empirical scaling parameters are necessary to correct for the main approximations in WPMD. However, reducing the scaling parameters for more ab-initio terms gives more accurate results and displays the underlying physics more readily.

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