کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
522590 867836 2010 13 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A numerical method for the study of nucleation of ordered phases
موضوعات مرتبط
مهندسی و علوم پایه مهندسی کامپیوتر نرم افزارهای علوم کامپیوتر
پیش نمایش صفحه اول مقاله
A numerical method for the study of nucleation of ordered phases
چکیده انگلیسی

A numerical approach based on the string method is developed to study nucleation of ordered phases in first-order phase transitions. Among other things, this method allows an efficient computation of the minimum energy path (MEP) during the nucleation process. The MEP provides information about the size, shape and free energy barrier of the critical nucleus. To improve the efficiency of the string method, a special initialization process is proposed. Constraints from physical models are treated using two methods, a generalized coordinates method and a projection method. Strategies for choosing the computational domain and defining the nucleus boundary are also introduced. The validity of our approach is illustrated by two nontrivial examples from soft condensed matter physics, namely the nematic–isotropic transition of liquid crystals and the ordered-to-ordered phase transition of diblock copolymers.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 229, Issue 5, 1 March 2010, Pages 1797–1809
نویسندگان
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