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Tags: Molecular dynamics

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  1. Monte Carlo with Parallel Tempering in the P-T plane of Lennard Jones 6-12

    02 May 2018 | Datasets | Contributor(s): Ka-Ming Tam

    Monte Carlo data from parallel tempering in the P-T plane, NPT ensemble, 6-12 Lennard Jones potential

    https://cimmhub.laepscor.org/resources/417.html

  2. Data for the paper "Identifying Melting Points of Metals from Classical Molecular Dynamics with Unsupervised Machine Learning Methods"

    19 Mar 2018 | Datasets | Contributor(s): Nicholas Walker, Ka-Ming Tam, Brian Novak, Mark Jarrell

    Molecular Dynamics Simulations Data for 108 Al atoms. Data used for extracting melting temperature by Machine Learning.

    https://cimmhub.laepscor.org/resources/406.html

  3. Identifying Melting Points of Metals from Classical Molecular Dynamics with Unsupervised Machine Learning Methods

    19 Mar 2018 | Publications | Contributor(s): Nicholas Walker, Ka-Ming Tam, Brian Novak, Mark Jarrell

    Classical molecular dynamics simulations of metallic systems over a large temperature range containing the melting point are analyzed using an unsupervised k-means clustering algorithm to classify...

    https://cimmhub.laepscor.org/resources/404.html

  4. Size and strain rate effects in metallic samples of confined volumes: Dislocation length distribution

    06 Mar 2018 | Publications | Contributor(s): George Voyiadjis, Mohammadreza Yaghoobi

    In metallic samples of confined volumes, the size effects are governed by the characteristics of the dislocation network. However, there are only few studies that quantitatively tried to relate...

    https://cimmhub.laepscor.org/resources/378.html