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Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling
المؤلفون المشاركون
Ren, Xiao-Guang
Xu, Xin-Hai
Yang, Xue-Jun
Ji, Hongyu
Wang, Qian
Li, Chao
المصدر
Advances in Materials Science and Engineering
العدد
المجلد 2017، العدد 2017 (31 ديسمبر/كانون الأول 2017)، ص ص. 1-21، 21ص.
الناشر
Hindawi Publishing Corporation
تاريخ النشر
2017-02-14
دولة النشر
مصر
عدد الصفحات
21
الملخص EN
Different configurations of coupling strategies influence greatly the accuracy and convergence of the simulation results in the hybrid atomistic-continuum method.
This study aims to quantitatively investigate this effect and offer the guidance on how to choose the proper configuration of coupling strategies in the hybrid atomistic-continuum method.
We first propose a hybrid molecular dynamics- (MD-) continuum solver in LAMMPS and OpenFOAM that exchanges state variables between the atomistic region and the continuum region and evaluate different configurations of coupling strategies using the sudden start Couette flow, aiming to find the preferable configuration that delivers better accuracy and efficiency.
The major findings are as follows: (1) the C→A region plays the most important role in the overlap region and the “4-layer-1” combination achieves the best precision with a fixed width of the overlap region; (2) the data exchanging operation only needs a few sampling points closer to the occasions of interactions and decreasing the coupling exchange operations can reduce the computational load with acceptable errors; (3) the nonperiodic boundary force model with a smoothing parameter of 0.1 and a finer parameter of 20 can not only achieve the minimum disturbance near the MD-continuum interface but also keep the simulation precision.
نمط استشهاد جمعية علماء النفس الأمريكية (APA)
Wang, Qian& Ren, Xiao-Guang& Xu, Xin-Hai& Li, Chao& Ji, Hongyu& Yang, Xue-Jun. 2017. Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling. Advances in Materials Science and Engineering،Vol. 2017, no. 2017, pp.1-21.
https://search.emarefa.net/detail/BIM-1123494
نمط استشهاد الجمعية الأمريكية للغات الحديثة (MLA)
Wang, Qian…[et al.]. Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling. Advances in Materials Science and Engineering No. 2017 (2017), pp.1-21.
https://search.emarefa.net/detail/BIM-1123494
نمط استشهاد الجمعية الطبية الأمريكية (AMA)
Wang, Qian& Ren, Xiao-Guang& Xu, Xin-Hai& Li, Chao& Ji, Hongyu& Yang, Xue-Jun. Coupling Strategies Investigation of Hybrid Atomistic-Continuum Method Based on State Variable Coupling. Advances in Materials Science and Engineering. 2017. Vol. 2017, no. 2017, pp.1-21.
https://search.emarefa.net/detail/BIM-1123494
نوع البيانات
مقالات
لغة النص
الإنجليزية
الملاحظات
Includes bibliographical references
رقم السجل
BIM-1123494
قاعدة معامل التأثير والاستشهادات المرجعية العربي "ارسيف Arcif"
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