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Title: Ab initio based empirical potential applied to tungsten at high pressure

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
FG02-99ER45795
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 95 Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1354755

Ehemann, Robert C., Nicklas, Jeremy W., Park, Hyoungki, and Wilkins, John W.. Ab initio based empirical potential applied to tungsten at high pressure. United States: N. p., Web. doi:10.1103/PhysRevB.95.184101.
Ehemann, Robert C., Nicklas, Jeremy W., Park, Hyoungki, & Wilkins, John W.. Ab initio based empirical potential applied to tungsten at high pressure. United States. doi:10.1103/PhysRevB.95.184101.
Ehemann, Robert C., Nicklas, Jeremy W., Park, Hyoungki, and Wilkins, John W.. 2017. "Ab initio based empirical potential applied to tungsten at high pressure". United States. doi:10.1103/PhysRevB.95.184101.
@article{osti_1354755,
title = {Ab initio based empirical potential applied to tungsten at high pressure},
author = {Ehemann, Robert C. and Nicklas, Jeremy W. and Park, Hyoungki and Wilkins, John W.},
abstractNote = {},
doi = {10.1103/PhysRevB.95.184101},
journal = {Physical Review B},
number = 18,
volume = 95,
place = {United States},
year = {2017},
month = {5}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Projector augmented-wave method
journal, December 1994

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994