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This content will become publicly available on July 2, 2019

Title: Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal

Authors:
; ; ;
Publication Date:
Grant/Contract Number:
AC02-05-CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 7; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1458592

Winter, I. S., Montoya, J., Persson, K. A., and Chrzan, D. C.. Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal. United States: N. p., Web. doi:10.1103/PhysRevMaterials.2.073601.
Winter, I. S., Montoya, J., Persson, K. A., & Chrzan, D. C.. Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal. United States. doi:10.1103/PhysRevMaterials.2.073601.
Winter, I. S., Montoya, J., Persson, K. A., and Chrzan, D. C.. 2018. "Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal". United States. doi:10.1103/PhysRevMaterials.2.073601.
@article{osti_1458592,
title = {Ab initio calculation of thermal expansion with application to understanding Invar behavior in gum metal},
author = {Winter, I. S. and Montoya, J. and Persson, K. A. and Chrzan, D. C.},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.2.073601},
journal = {Physical Review Materials},
number = 7,
volume = 2,
place = {United States},
year = {2018},
month = {7}
}

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

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

Ab initiomolecular dynamics for liquid metals
journal, January 1993