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Title: Modified Embedded Atom Method

Abstract

Interatomic force and energy calculation subroutine to be used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluated the total energy and atomic forces (energy gradient) according to a cubic spline-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM) with a additional Stillinger-Weber (SW) contribution.

Authors:
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1231596
Report Number(s):
MEAM+SW V. 1.0; 002751MLTPL01
LLNL-CODE-588032
DOE Contract Number:
AC52-07NA27344
Resource Type:
Software
Software Revision:
01
Software Package Number:
002751
Software Package Contents:
Open Source Software package available from Lawrence Livermore National Laboratory at the following URL: http://lammps.sandia.gov/download.html
Software CPU:
MLTPL
Open Source:
Yes
Source Code Available:
Yes
Country of Publication:
United States

Citation Formats

Rudd, R. E. Modified Embedded Atom Method. Computer software. https://www.osti.gov//servlets/purl/1231596. Vers. 01. USDOE. 1 Aug. 2012. Web.
Rudd, R. E. (2012, August 1). Modified Embedded Atom Method (Version 01) [Computer software]. https://www.osti.gov//servlets/purl/1231596.
Rudd, R. E. Modified Embedded Atom Method. Computer software. Version 01. August 1, 2012. https://www.osti.gov//servlets/purl/1231596.
@misc{osti_1231596,
title = {Modified Embedded Atom Method, Version 01},
author = {Rudd, R. E.},
abstractNote = {Interatomic force and energy calculation subroutine to be used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluated the total energy and atomic forces (energy gradient) according to a cubic spline-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM) with a additional Stillinger-Weber (SW) contribution.},
url = {https://www.osti.gov//servlets/purl/1231596},
doi = {},
year = {Wed Aug 01 00:00:00 EDT 2012},
month = {Wed Aug 01 00:00:00 EDT 2012},
note =
}

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