Phase stability of CaSiO3 perovskite at high pressure and temperature: Insights from ab initio molecular dynamics

2006 ◽  
Vol 155 (3-4) ◽  
pp. 260-268 ◽  
Author(s):  
Li Li ◽  
Donald J. Weidner ◽  
John Brodholt ◽  
Dario Alfè ◽  
G. David Price ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Pressure ◽  
Ab Initio ◽  
Phase Stability ◽  
Ab Initio Molecular Dynamics ◽  
High Pressure And Temperature ◽  
Casio3 Perovskite

scholarly journals Lithium Hydroxide Phase Transition under High Pressure: An Ab Initio Molecular Dynamics Study

ChemPhysChem ◽  
2006 ◽  
Vol 7 (1) ◽  
pp. 141-147 ◽  
Author(s):  
Marco Pagliai ◽  
Marcella Iannuzzi ◽  
Gianni Cardini ◽  
Michele Parrinello ◽  
Vincenzo Schettino
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
High Pressure ◽  
Ab Initio ◽  
Lithium Hydroxide ◽  
Ab Initio Molecular Dynamics ◽  
Hydroxide Phase
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