New statistical boundary conditions for argon-tungsten interactions

M. S. Ozhgibesov; T. S. Leu; C. H. Cheng; A. V. Utkin

doi:10.1016/j.jmgm.2012.06.013

New statistical boundary conditions for argon-tungsten interactions

M. S. Ozhgibesov, T. S. Leu, C. H. Cheng, A. V. Utkin

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

5 Citations (Scopus)

Abstract

In this study, scattering processes of argon beam impinging on tungsten surface are investigated numerically by applying molecular dynamics (MD) simulations. Energy transfer, momentum change, and scattering processes of argon gas atoms from W(1 1 0) surface are discussed. A new model of argon-tungsten (Ar-W) interaction is proposed. Based on the new proposed model, one can simplify the boundary conditions of this problem. The new boundary conditions are proved to be in line with previous experimental and theoretical results. This paper demonstrates how to proceed normalization and further conversion of the MD simulation results into boundary conditions. Application of the new proposed boundary conditions for Ar-W interactions provides a significant speedup of computations.

Original language	English
Pages (from-to)	375-381
Number of pages	7
Journal	Journal of Molecular Graphics and Modelling
Volume	38
DOIs	https://doi.org/10.1016/j.jmgm.2012.06.013
Publication status	Published - 2012 Sept

All Science Journal Classification (ASJC) codes

Spectroscopy
Physical and Theoretical Chemistry
Computer Graphics and Computer-Aided Design
Materials Chemistry

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10.1016/j.jmgm.2012.06.013

Cite this

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title = "New statistical boundary conditions for argon-tungsten interactions",

abstract = "In this study, scattering processes of argon beam impinging on tungsten surface are investigated numerically by applying molecular dynamics (MD) simulations. Energy transfer, momentum change, and scattering processes of argon gas atoms from W(1 1 0) surface are discussed. A new model of argon-tungsten (Ar-W) interaction is proposed. Based on the new proposed model, one can simplify the boundary conditions of this problem. The new boundary conditions are proved to be in line with previous experimental and theoretical results. This paper demonstrates how to proceed normalization and further conversion of the MD simulation results into boundary conditions. Application of the new proposed boundary conditions for Ar-W interactions provides a significant speedup of computations.",

author = "Ozhgibesov, {M. S.} and Leu, {T. S.} and Cheng, {C. H.} and Utkin, {A. V.}",

note = "Funding Information: The authors would like to acknowledge the kind funding support from NSC Taiwan under the contracts of NSC 101-2923-E-006-001-MY3 and NSC 99-2923-E-006-006-MY3 .",

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doi = "10.1016/j.jmgm.2012.06.013",

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T1 - New statistical boundary conditions for argon-tungsten interactions

AU - Ozhgibesov, M. S.

AU - Leu, T. S.

AU - Cheng, C. H.

AU - Utkin, A. V.

N1 - Funding Information: The authors would like to acknowledge the kind funding support from NSC Taiwan under the contracts of NSC 101-2923-E-006-001-MY3 and NSC 99-2923-E-006-006-MY3 .

PY - 2012/9

Y1 - 2012/9

N2 - In this study, scattering processes of argon beam impinging on tungsten surface are investigated numerically by applying molecular dynamics (MD) simulations. Energy transfer, momentum change, and scattering processes of argon gas atoms from W(1 1 0) surface are discussed. A new model of argon-tungsten (Ar-W) interaction is proposed. Based on the new proposed model, one can simplify the boundary conditions of this problem. The new boundary conditions are proved to be in line with previous experimental and theoretical results. This paper demonstrates how to proceed normalization and further conversion of the MD simulation results into boundary conditions. Application of the new proposed boundary conditions for Ar-W interactions provides a significant speedup of computations.

AB - In this study, scattering processes of argon beam impinging on tungsten surface are investigated numerically by applying molecular dynamics (MD) simulations. Energy transfer, momentum change, and scattering processes of argon gas atoms from W(1 1 0) surface are discussed. A new model of argon-tungsten (Ar-W) interaction is proposed. Based on the new proposed model, one can simplify the boundary conditions of this problem. The new boundary conditions are proved to be in line with previous experimental and theoretical results. This paper demonstrates how to proceed normalization and further conversion of the MD simulation results into boundary conditions. Application of the new proposed boundary conditions for Ar-W interactions provides a significant speedup of computations.

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EP - 381

JO - Journal of Molecular Graphics and Modelling

JF - Journal of Molecular Graphics and Modelling

ER -

New statistical boundary conditions for argon-tungsten interactions

Abstract

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