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Materials science / Computational chemistry / ReaxFF / Molecular modelling / Bond order potential / Force field / Fracture mechanics / Fracture / Crystal / Chemistry / Physics / Glass physics


PRL 96, [removed]PHYSICAL REVIEW LETTERS
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Document Date: 2006-06-29 15:17:56

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File Size: 606,71 KB

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City

Berlin / Pasadena / London / /

Company

Beazley / Cambridge University Press / ReaxFF / /

Country

United States / Netherlands / United Kingdom / /

Currency

USD / /

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Facility

Computational Materials Design Facility / Massachusetts Institute of Technology / California Institute of Technology / /

IndustryTerm

energy contribution / quantum mechanical solution / strain energy / potential energy / strain energy density / reactive chemical processes / silicon systems / energy minimization scheme / energy / /

Organization

California Institute of Technology / Cambridge University / Materials Research Society / Department of Civil and Environmental Engineering / National Science Foundation / Warrendale / Massachusetts Institute of Technology / Division of Chemistry and Chemical Engineering / /

Person

William A. Goddard / Markus J. Buehler / /

Position

*Corresponding author / /

Product

Tersoff / using pure Tersoff / /

ProgrammingLanguage

Python / /

ProvinceOrState

Pennsylvania / California / Massachusetts / /

PublishedMedium

PHYSICAL REVIEW LETTERS / /

Technology

semiconductors / Environmental Engineering / simulation / /

URL

http /

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