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

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1458592
Grant/Contract Number:  
AC02-05-CH11231
Resource Type:
Journal Article: 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
Country of Publication:
United States
Language:
English

Citation Formats

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., 2018. 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. Mon . "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 = {Mon Jul 02 00:00:00 EDT 2018},
month = {Mon Jul 02 00:00:00 EDT 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on July 2, 2019
Publisher's Accepted Manuscript

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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