کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1560345 1513910 2015 13 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Following atomistic kinetics on experimental timescales with the kinetic Activation-Relaxation Technique
ترجمه فارسی عنوان
به دنبال سینتیک اتومیستیک در زمانهای آزمایشی با تکنیک فعالسازی-آرام سازی جنبشی
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه سایر رشته های مهندسی مکانیک محاسباتی
چکیده انگلیسی
The properties of materials, even at the atomic level, evolve on macroscopic time scales. Following this evolution through simulation has been a challenge for many years. For lattice-based activated diffusion, kinetic Monte Carlo has turned out to be an almost perfect solution. Various accelerated molecular dynamical schemes, for their part, have allowed the study on long time scale of relatively simple systems. There is still a need, however, for methods able to handle complex materials such as alloys and disordered systems. Here, we review the kinetic Activation-Relaxation Technique (k-ART), one of a handful of off-lattice kinetic Monte Carlo methods, with on-the-fly cataloging, that have been proposed in the last few years.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational Materials Science - Volume 100, Part B, 1 April 2015, Pages 111-123
نویسندگان
, , , , , , , ,