Equation of State for Mg[sub 2]SiO[sub 4] (α-forsterite, β-wadsleyite and γ-ringwoodite): ab-Initio

2011 ◽  
Author(s):  
Seema Gupta ◽  
S. C. Goyal ◽  
Alka B. Garg ◽  
R. Mittal ◽  
R. Mukhopadhyay
Keyword(s):  
Equation Of State ◽  
Ab Initio

scholarly journals Ab Initio Equation of State Data for Hydrogen, Helium, and Water and the Internal Structure of Jupiter

2008 ◽  
Vol 683 (2) ◽  
pp. 1217-1228 ◽  
Author(s):  
Nadine Nettelmann ◽  
Bastian Holst ◽  
André Kietzmann ◽  
Martin French ◽  
Ronald Redmer ◽  
...  
Keyword(s):  
Equation Of State ◽  
Ab Initio ◽  
Internal Structure ◽  
State Data

Electronic structure and equation of state of PdO2 from ab initio

2011 ◽  
Vol 508 (4-6) ◽  
pp. 215-218 ◽  
Author(s):  
Samir F. Matar ◽  
Gérard Demazeau ◽  
Manfred H. Möller ◽  
Rainer Pöttgen
Keyword(s):  
Electronic Structure ◽  
Equation Of State ◽  
Ab Initio

Ab initio study of thermodynamically consistent equation of state of warm dense aluminum plasma

2016 ◽  
Vol 23 (9) ◽  
pp. 092710 ◽  
Author(s):  
Xiang Gao ◽  
Liang Chen ◽  
Ramón Valencia ◽  
Weiyi Xia ◽  
Weiwei Gao ◽  
...  
Keyword(s):  
Equation Of State ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Aluminum Plasma ◽  
Consistent Equation

Equation of state of water based on the SCAN meta-GGA density functional

2020 ◽  
Vol 22 (8) ◽  
pp. 4626-4631 ◽  
Author(s):  
Gang Zhao ◽  
Shuyi Shi ◽  
Huijuan Xie ◽  
Qiushuang Xu ◽  
Mingcui Ding ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Equation Of State ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Density Functional ◽  
State Of Water ◽  
Water Based ◽  
Dynamics Simulations ◽  
Better Than

By ab initio molecular dynamics simulations, the newly developed SCAN meta-GGA functional is proved better than the widely used PBE-GGA functional in describing the equation of state of water.

Equation of state and transport properties of warm dense aluminum by ab initio and chemical model simulations

2017 ◽  
Vol 24 (1) ◽  
pp. 013303 ◽  
Author(s):  
Zhijian Fu ◽  
Weilong Quan ◽  
Wei Zhang ◽  
Zhiguo Li ◽  
Jun Zheng ◽  
...  
Keyword(s):  
Equation Of State ◽  
Ab Initio ◽  
Transport Properties ◽  
Chemical Model ◽  
Model Simulations

AB INITIO EQUATION OF STATE FOR β-HMX

2008 ◽  
Author(s):  
Frank J. Zerilli ◽  
Maija M. Kuklja ◽  
Mark Elert ◽  
Michael D. Furnish ◽  
Ricky Chau ◽  
...  
Keyword(s):  
Equation Of State ◽  
Ab Initio
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