Molecular dynamics simulation of dynamic response of beryllium

Aidan P. Thompson; J. Matthew D. Lane; Michael P. Desjarlais; Michael I Baskes

doi:10.1063/1.3295271

Molecular dynamics simulation of dynamic response of beryllium

Aidan P. Thompson
, J. Matthew D. Lane
, Michael P. Desjarlais
, Michael I Baskes

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

8 Scopus citations

Abstract

The response of beryllium to dynamic loading has been extensively studied, both experimentally and theoretically, due to its importance in several technological areas. Compared to other metals, it is quite challenging to accurately represent the various anomalous behaviors of beryllium using classical interatomic potentials. A new parameterization of the MEAM interatomic potential has been obtained, which reproduces ambient elastic and lattice constants, the melting temperature, and the static compression curve up to 200 GPa, and is free of obvious pathologies. Hugoniostat molecular dynamics simulations using this parameterization, as well as one due to Dremov et al. have been used to predict the dynamic response of HCP beryllium up to and including melting.

Original language	English
Title of host publication	Shock Compression of Condensed Matter - 2009 - Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter
Pages	833-836
Number of pages	4
DOIs	https://doi.org/10.1063/1.3295271
State	Published - Dec 1 2009
Externally published	Yes
Event	Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, 2009 APS SCCM - Duration: Dec 1 2009 → …

Publication series

Name	AIP Conference Proceedings
Volume	1195
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, 2009 APS SCCM
Period	12/1/09 → …

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10.1063/1.3295271

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Thompson, A. P., Lane, J. M. D., Desjarlais, M. P., & Baskes, M. I. (2009). Molecular dynamics simulation of dynamic response of beryllium. In Shock Compression of Condensed Matter - 2009 - Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter (pp. 833-836). (AIP Conference Proceedings; Vol. 1195). https://doi.org/10.1063/1.3295271

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title = "Molecular dynamics simulation of dynamic response of beryllium",

abstract = "The response of beryllium to dynamic loading has been extensively studied, both experimentally and theoretically, due to its importance in several technological areas. Compared to other metals, it is quite challenging to accurately represent the various anomalous behaviors of beryllium using classical interatomic potentials. A new parameterization of the MEAM interatomic potential has been obtained, which reproduces ambient elastic and lattice constants, the melting temperature, and the static compression curve up to 200 GPa, and is free of obvious pathologies. Hugoniostat molecular dynamics simulations using this parameterization, as well as one due to Dremov et al. have been used to predict the dynamic response of HCP beryllium up to and including melting.",

author = "Thompson, \{Aidan P.\} and Lane, \{J. Matthew D.\} and Desjarlais, \{Michael P.\} and Baskes, \{Michael I\}",

year = "2009",

month = dec,

day = "1",

doi = "10.1063/1.3295271",

language = "English",

isbn = "9780735407329",

series = "AIP Conference Proceedings",

pages = "833--836",

booktitle = "Shock Compression of Condensed Matter - 2009 - Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter",

note = "Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, 2009 APS SCCM ; Conference date: 01-12-2009",

}

Thompson, AP, Lane, JMD, Desjarlais, MP & Baskes, MI 2009, Molecular dynamics simulation of dynamic response of beryllium. in Shock Compression of Condensed Matter - 2009 - Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. AIP Conference Proceedings, vol. 1195, pp. 833-836, Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, 2009 APS SCCM, 12/1/09. https://doi.org/10.1063/1.3295271

Molecular dynamics simulation of dynamic response of beryllium. / Thompson, Aidan P.; Lane, J. Matthew D.; Desjarlais, Michael P. et al.
Shock Compression of Condensed Matter - 2009 - Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. 2009. p. 833-836 (AIP Conference Proceedings; Vol. 1195).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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N2 - The response of beryllium to dynamic loading has been extensively studied, both experimentally and theoretically, due to its importance in several technological areas. Compared to other metals, it is quite challenging to accurately represent the various anomalous behaviors of beryllium using classical interatomic potentials. A new parameterization of the MEAM interatomic potential has been obtained, which reproduces ambient elastic and lattice constants, the melting temperature, and the static compression curve up to 200 GPa, and is free of obvious pathologies. Hugoniostat molecular dynamics simulations using this parameterization, as well as one due to Dremov et al. have been used to predict the dynamic response of HCP beryllium up to and including melting.

AB - The response of beryllium to dynamic loading has been extensively studied, both experimentally and theoretically, due to its importance in several technological areas. Compared to other metals, it is quite challenging to accurately represent the various anomalous behaviors of beryllium using classical interatomic potentials. A new parameterization of the MEAM interatomic potential has been obtained, which reproduces ambient elastic and lattice constants, the melting temperature, and the static compression curve up to 200 GPa, and is free of obvious pathologies. Hugoniostat molecular dynamics simulations using this parameterization, as well as one due to Dremov et al. have been used to predict the dynamic response of HCP beryllium up to and including melting.

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DO - 10.1063/1.3295271

M3 - Conference contribution

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BT - Shock Compression of Condensed Matter - 2009 - Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter

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Y2 - 1 December 2009

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Molecular dynamics simulation of dynamic response of beryllium

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