Article ID Journal Published Year Pages File Type
5386061 Chemical Physics Letters 2010 11 Pages PDF
Abstract
►A dynamic criterion allows the identification of solid and liquid-like molecules without the limitation of structural order parameters. ►By using a self-adaptive approach and an interface detecting method based on an integration procedure, a system can be maintained roughly at steady state during a crystal growth simulation. ►The growths of both CH4 and H2S hydrates predict unusual polycrystalline structures. ►The heterogeneous crystal growth simulation may provide insights into microscopic mechanisms for annealing of defect structures.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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