کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
503405 | 863764 | 2007 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics](/preview/png/503405.png)
چکیده انگلیسی
We have developed scalable parallel algorithms for first-principles based predictive atomistic simulations of materials. We have achieved parallel efficiency 0.998 for 134 billion-atom molecular dynamics (MD), 1.06 billion-atom reactive force-field MD, and 11.8 million-atom (1.04 trillion electronic degrees-of-freedom) quantum-mechanical MD in the framework of the density functional theory on 131,072 BlueGene/L processors. We have performed up to 540 million-atom MD simulations to study: (1) initiation, growth and healing of wing cracks in confined silica glass; and (2) damage initiation during hypervelocity impact on advanced ceramics.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computer Physics Communications - Volume 177, Issues 1–2, July 2007, Pages 202–205
Journal: Computer Physics Communications - Volume 177, Issues 1–2, July 2007, Pages 202–205
نویسندگان
Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano,