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Reax ff crystal fits - PowerPoint PPT Presentation

Force Field Development for Silicon Carbides, Bulk Silicon and Oxidized Silicon surfaces with Graphite

Force Field Development for Silicon Carbides, Bulk Silicon and Oxidized Silicon surfaces with Graphite. Santiago Solares, Adri van Duin and William A. Goddard III California Institute of Technology. Objectives. To study graphite-silicon systems (vdw interactions and reactions)

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Reax ff crystal fits - PowerPoint PPT Presentation

Force Field Development for Silicon Carbides, Bulk Silicon and Oxidized Silicon surfaces with Graphite