μm scale investigation of mechanical properties of graphene with a PBE force field model

来源 :The 7th Sino-US Conference of Chemical Engineering(第7届中美化学工程 | 被引量 : 0次 | 上传用户:yangtianmei02
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  A simple molecular mechanics force field for graphene(PPBE-G)was created by force matching the density functional theory Perdew-Burke-Ernzerhof(PBE)functional using the adaptive force matching method recently developed in our group.
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