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  Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC

Duff, A. I., Davey, T., Korbmacher, D., Glensk, A., Grabowski, B., Neugebauer, J., et al. (2015). Improved method of calculating ab initio high-temperature thermodynamic properties with application to ZrC. Physical Review B, 91(21): 214311. doi:10.1103/PhysRevB.91.214311.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-B4A3-8 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0029-B4A4-6
Genre: Journal Article

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 Creators:
Duff, Andrew I.1, Author
Davey, Theresa1, Author
Korbmacher, Dominique2, Author              
Glensk, Albert3, Author              
Grabowski, Blazej3, Author              
Neugebauer, Jörg4, Author              
Finnis, Mike W.5, Author              
Affiliations:
1Univ London Imperial Coll Sci Technol & Med, Dept Mat, Thomas Young Ctr, London SW7 2AZ, England, ou_persistent22              
2Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863339              
3Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
4Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
5Department of Materials, Thomas Young Centre, Imperial College London, Prince Consort Road 20, SW72BP London, UK, ou_persistent22              

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Language(s): eng - English
 Dates: 2015-06-30
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1103/PhysRevB.91.214311
 Degree: -

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Title: Physical Review B
  Abbreviation : Phys. Rev. B
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Woodbury, NY : American Physical Society
Pages: - Volume / Issue: 91 (21) Sequence Number: 214311 Start / End Page: - Identifier: ISSN: 1098-0121
CoNE: /journals/resource/954925225008