کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6933391 867748 2013 47 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A multiscale modeling technique for bridging molecular dynamics with finite element method
ترجمه فارسی عنوان
یک روش مدل سازی چند بعدی برای برهم زدن دینامیک مولکولی با روش المان محدود
کلمات کلیدی
مدل سازی چند بعدی، روش محاسبه میانگین وزنی، دینامیک مولکولی، انعکاس موج،
موضوعات مرتبط
مهندسی و علوم پایه مهندسی کامپیوتر نرم افزارهای علوم کامپیوتر
چکیده انگلیسی
In computational mechanics, molecular dynamics (MD) and finite element (FE) analysis are well developed and most popular on nanoscale and macroscale analysis, respectively. MD can very well simulate the atomistic behavior, but cannot simulate macroscale length and time due to computational limits. FE can very well simulate continuum mechanics (CM) problems, but has the limitation of the lack of atomistic level degrees of freedom. Multiscale modeling is an expedient methodology with a potential to connect different levels of modeling such as quantum mechanics, molecular dynamics, and continuum mechanics. This study proposes a new multiscale modeling technique to couple MD with FE. The proposed method relies on weighted average momentum principle. A wave propagation example has been used to illustrate the challenges in coupling MD with FE and to verify the proposed technique. Furthermore, 2-Dimensional problem has also been used to demonstrate how this method would translate into real world applications.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Computational Physics - Volume 253, 15 November 2013, Pages 64-85
نویسندگان
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