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Title: Molecular Dynamics Study of the Threshold Displacement Energy in MgO

Abstract

Molecular dynamics (MD) simulations were used to obtain threshold displacement energies (Ed) of atoms along specific directions in MgO. In the simulation, an atom in the center of the cell was given kinetic energy along a specific crystallographic direction. The positions and site potential energies of the primary knock-on atom (pka) and all neighboring atoms were monitored as a function of time.

Authors:
 [1];  [2];  [2]
  1. (UNKNOWN)
  2. (BATTELLE (PACIFIC NW LAB))
Publication Date:
Research Org.:
Pacific Northwest National Lab., Richland, WA (US), Environmental Molecular Sciences Lab. (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
15004173
Report Number(s):
PNNL-SA-32106
1864; KC0301020; KC0201020; KP1301020; TRN: US200323%%399
DOE Contract Number:  
AC06-76RL01830
Resource Type:
Journal Article
Journal Name:
Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms
Additional Journal Information:
Journal Volume: 166-167; Other Information: PBD: 10 May 2000
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; MAGNESIUM OXIDES; KINETIC ENERGY; KNOCK-ON; MOLECULAR DYNAMICS METHOD; POTENTIAL ENERGY; ENVIRONMENTAL MOLECULAR SCIENCES LABORATORY, NULL

Citation Formats

Park, Byeongwon, Weber, William J., and Corrales, Louis R. Molecular Dynamics Study of the Threshold Displacement Energy in MgO. United States: N. p., 2000. Web. doi:10.1016/S0168-583X(99)00694-1.
Park, Byeongwon, Weber, William J., & Corrales, Louis R. Molecular Dynamics Study of the Threshold Displacement Energy in MgO. United States. doi:10.1016/S0168-583X(99)00694-1.
Park, Byeongwon, Weber, William J., and Corrales, Louis R. Wed . "Molecular Dynamics Study of the Threshold Displacement Energy in MgO". United States. doi:10.1016/S0168-583X(99)00694-1.
@article{osti_15004173,
title = {Molecular Dynamics Study of the Threshold Displacement Energy in MgO},
author = {Park, Byeongwon and Weber, William J. and Corrales, Louis R.},
abstractNote = {Molecular dynamics (MD) simulations were used to obtain threshold displacement energies (Ed) of atoms along specific directions in MgO. In the simulation, an atom in the center of the cell was given kinetic energy along a specific crystallographic direction. The positions and site potential energies of the primary knock-on atom (pka) and all neighboring atoms were monitored as a function of time.},
doi = {10.1016/S0168-583X(99)00694-1},
journal = {Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms},
number = ,
volume = 166-167,
place = {United States},
year = {2000},
month = {5}
}