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Thermodynamic consistency and fast dynamics in phase-field crystal modeling

机译:相场晶体建模中的热力学一致性和快速动力学

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A general formulation is presented to derive the equation of motion and demonstrate thermodynamic consistency for several classes of phase-field (PF) and PF crystal (PFC) models. It can be applied to models with a conserved and non-conserved phase-field variable, describing either locally uniform or periodic stable states, and containing slow as well as fast thermodynamic variables. The approach is based on an entropy functional formalism previously developed in the context of PF models for locally uniform states [P. Galenko and D. Jou, Phys. Rev. E 71 (2005) p.046125] and thus allows to extend several properties of the latter to PF models for periodic states, i.e., PFC models.View full textDownload full textKeywordsphase-field crystal model, thermodynamic consistency, computed simulation, crystal growth, phase equilibriaRelated var addthis_config = { ui_cobrand: "Taylor & Francis Online", services_compact: "citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more", pubid: "ra-4dff56cd6bb1830b" }; Add to shortlist Link Permalink http://dx.doi.org/10.1080/09500839.2012.691215
机译:提出了一个通用公式来导出运动方程,并证明了几类相场(PF)和PF晶体(PFC)模型的热力学一致性。它可以应用于具有守恒和非守恒相场变量的模型,描述局部均匀或周期性稳定状态,并包含慢速和快速热力学变量。该方法基于先前在局部均匀状态的PF模型的上下文中开发的熵泛函形式[P. Galenko和D. Jou,物理学。 Rev 71(2005)p.046125],因此可以将后者的某些特性扩展到用于周期状态的PF模型,即PFC模型。查看全文下载全文关键字相场晶体模型,热力学一致性,计算机模拟,晶体增长,相位平衡相关var addthis_config = {ui_cobrand:“泰勒和弗朗西斯在线”,servicescompact:“ citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,更多”,发布:“ ra-4dff56cd6bb1830b” };添加到候选列表链接永久链接http://dx.doi.org/10.1080/09500839.2012.691215

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