Ab initio study of mechanical stability, thermodynamic and elastic properties of Rh, RhH, and RhH2under high temperature and pressure

2014 ◽  
Vol 29 (12) ◽  
pp. 1334-1343 ◽  
Author(s):  
Guobing Pan ◽  
Chenghua Hu ◽  
P. Zhou ◽  
Feng Wang ◽  
Zhou Zheng ◽  
...  
Keyword(s):  
High Temperature ◽  
Ab Initio ◽  
Elastic Properties ◽  
Mechanical Stability ◽  
Ab Initio Study ◽  
High Temperature And Pressure ◽  
Temperature And Pressure ◽  
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Abstract

Ab initio study of thermophysical properties of β-PbO2 under high temperature and pressure

2021 ◽  
Vol 140 (2) ◽  
Author(s):  
Farida Bounab ◽  
Nacer-Eddine Chelali ◽  
Abdallah Merrouche ◽  
Loubna Salik ◽  
Nadir Bouarissa ◽  
...  
Keyword(s):  
High Temperature ◽  
Ab Initio ◽  
Thermophysical Properties ◽  
Ab Initio Study ◽  
High Temperature And Pressure ◽  
Temperature And Pressure

scholarly journals High temperature and pressure effects on the elastic properties of B2 intermetallics AgRE

Open Physics ◽  
2015 ◽  
Vol 13 (1) ◽  
Author(s):  
Lili Liu ◽  
Xiaozhi Wu ◽  
Weiguo Li ◽  
Rui Wang ◽  
Qing Liu
Keyword(s):  
High Temperature ◽  
Intermetallic Compounds ◽  
Elastic Properties ◽  
Elastic Constants ◽  
Second Order ◽  
Pressure Effects ◽  
High Temperature And Pressure ◽  
Normal Behavior ◽  
Temperature And Pressure ◽  
Temperature And Pressure Effects

AbstractThe high temperature and pressure effects on the elastic properties of the AgRE (RE=Sc, Tm, Er, Dy, Tb) intermetallic compounds with B2 structure have been performed from first principle calculations. For the temperature range 0-1000 K, the second order elastic constants for all the AgRE intermetallic compounds follow a normal behavior: they decrease with increasing temperature. The pressure dependence of the second order elastic constants has been investigated on the basis of the third order elastic constants. Temperature and pressure dependent elastic anisotropic parameters A have been calculated based on the temperature and pressure dependent elastic constants.

scholarly journals Ab initio simulation on thermodynamic equation of state of fcc aluminum under high temperature and pressure

2009 ◽  
Vol 58 (6) ◽  
pp. 4103
Author(s):  
Ji Guang-Fu ◽  
Zhang Yan-Li ◽  
Cui Hong-Lingi ◽  
Li Xiao-Feng ◽  
Zhao Feng ◽  
...  
Keyword(s):  
High Temperature ◽  
Equation Of State ◽  
Ab Initio ◽  
Ab Initio Simulation ◽  
Thermodynamic Equation ◽  
High Temperature And Pressure ◽  
Temperature And Pressure
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