Combined molecular dynamics and finite element method technique applied to laser induced pressure wave propagation

Julia A. Smirnova; Leonid V. Zhigilei; Barbara J. Garrison

doi:10.1016/S0010-4655(98)00175-1

Combined molecular dynamics and finite element method technique applied to laser induced pressure wave propagation

Julia A. Smirnova, Leonid V. Zhigilei, Barbara J. Garrison

Research output: Contribution to journal › Article › peer-review

68 Scopus citations

Abstract

Analysis of a variety of dynamic phenomena requires simultaneous resolution at both atomistic and continuum length scales. A combined molecular dynamics and finite element method approach, which we discuss in this paper, allows us to find the balance between the necessary level of detail and computational cost. The combined method is applied to the propagation of a laser-induced pressure wave in a solid. We find good agreement of the wave profile in the molecular dynamics and finite element regions. This computational approach can be useful in cases where a detailed atomic-level analysis is necessary in localized spatially separated regions whereas continuum mechanics and thermodynamics is sufficient in the remainder of the system.

Original language	English (US)
Pages (from-to)	11-16
Number of pages	6
Journal	Computer Physics Communications
Volume	118
Issue number	1
DOIs	https://doi.org/10.1016/S0010-4655(98)00175-1
State	Published - Apr 1999

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Hardware and Architecture
General Physics and Astronomy

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10.1016/S0010-4655(98)00175-1

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title = "Combined molecular dynamics and finite element method technique applied to laser induced pressure wave propagation",

abstract = "Analysis of a variety of dynamic phenomena requires simultaneous resolution at both atomistic and continuum length scales. A combined molecular dynamics and finite element method approach, which we discuss in this paper, allows us to find the balance between the necessary level of detail and computational cost. The combined method is applied to the propagation of a laser-induced pressure wave in a solid. We find good agreement of the wave profile in the molecular dynamics and finite element regions. This computational approach can be useful in cases where a detailed atomic-level analysis is necessary in localized spatially separated regions whereas continuum mechanics and thermodynamics is sufficient in the remainder of the system.",

author = "Smirnova, {Julia A.} and Zhigilei, {Leonid V.} and Garrison, {Barbara J.}",

note = "Funding Information: We gratefully acknowledge financial support from the National Science Foundation and the IBM Selected University Research Program. The computational support for this work was provided by Center of Academic Computing at Penn State University.",

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T1 - Combined molecular dynamics and finite element method technique applied to laser induced pressure wave propagation

AU - Smirnova, Julia A.

AU - Zhigilei, Leonid V.

AU - Garrison, Barbara J.

N1 - Funding Information: We gratefully acknowledge financial support from the National Science Foundation and the IBM Selected University Research Program. The computational support for this work was provided by Center of Academic Computing at Penn State University.

PY - 1999/4

Y1 - 1999/4

N2 - Analysis of a variety of dynamic phenomena requires simultaneous resolution at both atomistic and continuum length scales. A combined molecular dynamics and finite element method approach, which we discuss in this paper, allows us to find the balance between the necessary level of detail and computational cost. The combined method is applied to the propagation of a laser-induced pressure wave in a solid. We find good agreement of the wave profile in the molecular dynamics and finite element regions. This computational approach can be useful in cases where a detailed atomic-level analysis is necessary in localized spatially separated regions whereas continuum mechanics and thermodynamics is sufficient in the remainder of the system.

AB - Analysis of a variety of dynamic phenomena requires simultaneous resolution at both atomistic and continuum length scales. A combined molecular dynamics and finite element method approach, which we discuss in this paper, allows us to find the balance between the necessary level of detail and computational cost. The combined method is applied to the propagation of a laser-induced pressure wave in a solid. We find good agreement of the wave profile in the molecular dynamics and finite element regions. This computational approach can be useful in cases where a detailed atomic-level analysis is necessary in localized spatially separated regions whereas continuum mechanics and thermodynamics is sufficient in the remainder of the system.

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Combined molecular dynamics and finite element method technique applied to laser induced pressure wave propagation

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