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Title: Role of quantum ion dynamics in the melting of lithium

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Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 94; Journal Issue: 10; Related Information: CHORUS Timestamp: 2016-09-09 18:11:48; Journal ID: ISSN 2469-9950
American Physical Society
Country of Publication:
United States

Citation Formats

Elatresh, S. F., Bonev, S. A., Gregoryanz, E., and Ashcroft, N. W.. Role of quantum ion dynamics in the melting of lithium. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.104107.
Elatresh, S. F., Bonev, S. A., Gregoryanz, E., & Ashcroft, N. W.. Role of quantum ion dynamics in the melting of lithium. United States. doi:10.1103/PhysRevB.94.104107.
Elatresh, S. F., Bonev, S. A., Gregoryanz, E., and Ashcroft, N. W.. 2016. "Role of quantum ion dynamics in the melting of lithium". United States. doi:10.1103/PhysRevB.94.104107.
title = {Role of quantum ion dynamics in the melting of lithium},
author = {Elatresh, S. F. and Bonev, S. A. and Gregoryanz, E. and Ashcroft, N. W.},
abstractNote = {},
doi = {10.1103/PhysRevB.94.104107},
journal = {Physical Review B},
number = 10,
volume = 94,
place = {United States},
year = 2016,
month = 9

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.94.104107

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  • The melting and lattice dynamics of sodium are studied by quantum molecular dynamics simulation, i.e., with allowance for anharmonicity, at pressures up to 1 Mbar and temperatures up to 1000 K. The simulation results agree well with the experimental data and our earlier calculation performed ab initio in the quasi-harmonic approximation. The simulation results demonstrate that anharmonic interactions weakly affect the melting curve and the phonon frequencies of Na up to near-melting temperatures.
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