کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10620503 | 988634 | 2012 | 15 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A concurrent scheme for passing dislocations from atomistic to continuum domains
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی مواد
سرامیک و کامپوزیت
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چکیده انگلیسی
This paper presents a concurrent atomistic-continuum (CAC) methodology for three-dimensional dynamic simulation of dislocation nucleation, migration and interaction. The method is based on a new continuum field formulation of balance laws with relevant atomistic information (the arrangements and interactions of atoms) considered. In this work, we show that the new CAC method allows the smooth passage of dislocations through sharp interfaces between the atomistic and the coarse-grained finite element domains without unphysical reflection of dislocations or the need for heuristic rules; meanwhile, complex dislocation phenomena such as dislocation nucleation, dynamic strain bursts associated with nucleation and migration avalanches, formations of Lomer-Cottrell locks, dislocation-rigid boundary interactions, formation of intrinsic and extrinsic stacking faults, deformation twinning, and curved dislocation loops can be reproduced by the CAC method. All of the CAC simulations are directly compared with the corresponding atomic-level molecular dynamics (MD) simulations. The efficiency, accuracy and potential applications of the method are discussed along with necessary additional development of criteria for coarse graining.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Acta Materialia - Volume 60, Issue 3, February 2012, Pages 899-913
Journal: Acta Materialia - Volume 60, Issue 3, February 2012, Pages 899-913
نویسندگان
Liming Xiong, Qian Deng, Garritt Tucker, David L. McDowell, Youping Chen,