skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: First-principles investigation of hydrogen interaction with TiC precipitates in α -Fe

Authors:
; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1254203
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 93 Journal Issue: 18; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Di Stefano, Davide, Nazarov, Roman, Hickel, Tilmann, Neugebauer, Jörg, Mrovec, Matous, and Elsässer, Christian. First-principles investigation of hydrogen interaction with TiC precipitates in α -Fe. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.93.184108.
Di Stefano, Davide, Nazarov, Roman, Hickel, Tilmann, Neugebauer, Jörg, Mrovec, Matous, & Elsässer, Christian. First-principles investigation of hydrogen interaction with TiC precipitates in α -Fe. United States. doi:10.1103/PhysRevB.93.184108.
Di Stefano, Davide, Nazarov, Roman, Hickel, Tilmann, Neugebauer, Jörg, Mrovec, Matous, and Elsässer, Christian. Mon . "First-principles investigation of hydrogen interaction with TiC precipitates in α -Fe". United States. doi:10.1103/PhysRevB.93.184108.
@article{osti_1254203,
title = {First-principles investigation of hydrogen interaction with TiC precipitates in α -Fe},
author = {Di Stefano, Davide and Nazarov, Roman and Hickel, Tilmann and Neugebauer, Jörg and Mrovec, Matous and Elsässer, Christian},
abstractNote = {},
doi = {10.1103/PhysRevB.93.184108},
journal = {Physical Review B},
number = 18,
volume = 93,
place = {United States},
year = {2016},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevB.93.184108

Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

Save / Share:

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

Ab initiomolecular dynamics for liquid metals
journal, January 1993


Ab Initio Study of Phase Equilibria in TiC x
journal, December 2001

  • Korzhavyi, P. A.; Pourovskii, L. V.; Hugosson, H. W.
  • Physical Review Letters, Vol. 88, Issue 1, Article No. 015505
  • DOI: 10.1103/PhysRevLett.88.015505

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


Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990