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Hybrid Monte Carlo/Molecular Dynamics Simulation of a Refractory Metal High Entropy Alloy

Hybrid Monte Carlo/Molecular Dynamics Simulation of a Refractory Metal High Entropy Alloy

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_1651404684

Hybrid Monte Carlo/Molecular Dynamics Simulation of a Refractory Metal High Entropy Alloy

About this item

Full title

Hybrid Monte Carlo/Molecular Dynamics Simulation of a Refractory Metal High Entropy Alloy

Publisher

Boston: Springer US

Journal title

Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2014-01, Vol.45 (1), p.196-200

Language

English

Formats

Publication information

Publisher

Boston: Springer US

More information

Scope and Contents

Contents

The high entropy alloy containing refractory metals Mo-Nb-Ta-W has a body-centered cubic structure, which is not surprising given the complete mutual solubility in BCC solid solutions of all pairs of the constituent elements. However, first principles total energy calculations for the binaries reveal a set of distinct energy minimizing structures i...

Alternative Titles

Full title

Hybrid Monte Carlo/Molecular Dynamics Simulation of a Refractory Metal High Entropy Alloy

Authors, Artists and Contributors

Identifiers

Primary Identifiers

Record Identifier

TN_cdi_proquest_miscellaneous_1651404684

Permalink

https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_proquest_miscellaneous_1651404684

Other Identifiers

ISSN

1073-5623

E-ISSN

1543-1940

DOI

10.1007/s11661-013-2000-8

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