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 investigations of the charge transport properties of endohedral M @C 20 ( M = Na and K) metallofullerenes

2010 ◽  
Vol 19 (11) ◽  
pp. 113402 ◽  
Author(s):  
Yi-Peng An ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma ◽  
De-Hua Wang
Keyword(s):  
Charge Transport ◽  
Ab Initio ◽  
Transport Properties

Ab Initio Study of the Sub-threshold Electron Transport Properties of Ultra-scaled Amorphous Phase Change Material Germanium Telluride

2014 ◽  
Vol 1697 ◽  
Author(s):  
Jie Liu ◽  
Xu Xu ◽  
M. P. Anantram
Keyword(s):  
Electron Transport ◽  
Ab Initio ◽  
Transport Properties ◽  
Defect States ◽  
Germanium Telluride ◽  
Voltage Curve ◽  
Current Voltage ◽  
Current Voltage Curve ◽  
Electron Transport Properties ◽  
Change Material

ABSTRACTThe sub-threshold electron transport properties of amorphous (a-) germanium telluride (GeTe) phase change material (PCM) ultra-thin films are investigated by using ab initio molecular dynamics, density function theory, and Green’s function simulations. The simulation results reproduce the trends in measured electron transport properties, e.g. current-voltage curve, intra-bandgap donor-like and acceptor-like defect states, and p-type conductivity. The underlying physical mechanism of electron transport in ultra-scaled a-PCM is unraveled. We find that, though the current-voltage curve of the ultra-scaled a-PCM resembles that of the bulk a-PCM, their physical origins are different. Unlike the electron transport in bulk a-PCM, which is governed by the Poole-Frenkel effect, the electron transport in ultra-scaled a-PCM is largely dominated by tunneling transport via intra-bandgap donor-like and acceptor-like defect states.

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

Thermodynamic and transport properties of meteor melt constituents from ab initio simulations: MgSiO 3, SiO 2, and MgO

2019 ◽  
Vol 125 (23) ◽  
pp. 235102 ◽  
Author(s):  
Justin B. Haskins ◽  
Eric C. Stern ◽  
Charles W. Bauschlicher ◽  
John W. Lawson
Keyword(s):  
Ab Initio ◽  
Transport Properties ◽  
Ab Initio Simulations ◽  
Thermodynamic And Transport Properties
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