Atomistic modeling of crystal nucleation and growth

来源 :1st International Conference on Computational Design and Sim | 被引量 : 0次 | 上传用户：liongliong439

【摘要】

：

Understanding crystal growth on nucleation is crucial for controlling crystal properties.Nucleation however takes place on a time scale that exceeds our ability

【作者】

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Michele Parrinello

【机构】

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ETHZurich,DepartmentofChemistryandAppliedSciencesandUniversitàdellaSvizzeraitaliana,Informatica,ICS,

【出处】

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1st International Conference on Computational Design and Sim

【发表日期】

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2015年8期

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Understanding crystal growth on nucleation is crucial for controlling crystal properties.Nucleation however takes place on a time scale that exceeds our ability to simulate this phenomena by straightforward atomistic molecular dynamics simulation.To this effect, we have developed metadynamics as very successful enhanced sampling method.

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Atomistic modeling of crystal nucleation and growth

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