Liu Pu, Lusk Mark T
Materials Science Program, Division of Engineering, Colorado School of Mines, Golden, CO 80401, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2002 Dec;66(6 Pt 1):061603. doi: 10.1103/PhysRevE.66.061603. Epub 2002 Dec 16.
Parametric links are made among three mesoscale simulation paradigms: phase-field, sharp-interface, and Monte Carlo. A two-dimensional, square lattice, 1/2 Ising model is considered for the Monte Carlo method, where an exact solution for the interfacial free energy is known. The Monte Carlo mobility is calibrated as a function of temperature using Glauber kinetics. A standard asymptotic analysis relates the phase-field and sharp-interface parameters, and this allows the phase-field and Monte Carlo parameters to be linked. The result is derived without bulk effects but is then applied to a set of simulations with the bulk driving force included. An error analysis identifies the domain over which the parametric relationships are accurate.
相场、清晰界面和蒙特卡洛。蒙特卡洛方法考虑了二维方形晶格的1/2伊辛模型,其中界面自由能的精确解是已知的。使用格劳伯动力学将蒙特卡洛迁移率校准为温度的函数。标准渐近分析关联了相场和清晰界面参数,这使得相场和蒙特卡洛参数得以联系起来。该结果是在没有体效应的情况下推导出来的,但随后应用于一组包含体驱动力的模拟中。误差分析确定了参数关系准确的范围。