DocumentCode
1999127
Title
Exploring the High Pressure Phase Diagrams of Light Elements Using Large Scale Ab-initio Molecular Dynamics Simulations
Author
Tamblyn, Isaac ; Bonev, Stanimir A.
Author_Institution
Dept. of Phys., Dalhousie Univ., Halifax, NS
fYear
2008
fDate
9-11 June 2008
Firstpage
154
Lastpage
160
Abstract
First principles molecular dynamics simulations allow us to model the highly complex and non-intuitive properties that matter exhibits when it is subject to extreme pressure and temperature conditions.
Keywords
ab initio calculations; high-pressure effects; hydrogen; liquid theory; lithium; molecular dynamics method; phase diagrams; solid-liquid transformations; solid-state phase transformations; H; Li; ab-initio molecular dynamics simulations; first principle calculation; high pressure phase diagrams; liquid hydrogen; lithium; nonintuitive properties; solid-liquid transitions; solid-solid transitions; Computational modeling; Computer simulation; High performance computing; Hydrogen; Large-scale systems; Liquids; Physics; Scientific computing; Temperature; Thermodynamics; ab initio molecular dynamics; high pressure; hydrogen; lithium;
fLanguage
English
Publisher
ieee
Conference_Titel
High Performance Computing Systems and Applications, 2008. HPCS 2008. 22nd International Symposium on
Conference_Location
Quebec City, Que.
ISSN
1550-5243
Print_ISBN
978-0-7695-3250-9
Type
conf
DOI
10.1109/HPCS.2008.26
Filename
4556093
Link To Document