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Large-scale molecular dynamics simulations of materials on parallel computers

 

作者: Aiichiro Nakano,   Timothy J. Campbell,   Rajiv K. Kalia,   Sanjay Kodiyalam,   Shuji Ogata,   Fuyuki Shimojo,   Priya Vashishta,   Phillip Walsh,  

 

期刊: AIP Conference Proceedings  （AIP Available online 1901）
卷期: Volume 583, issue 1  

页码: 57-62

 

ISSN:0094-243X

 

年代: 1901

 

DOI:10.1063/1.1405262

 

出版商: AIP

 

数据来源: AIP

 

摘要:

Scalable space-time multiresolution algorithms implemented on massively parallel computers enable large-scale molecular dynamics simulations involving up to a billion atoms, which are applied to the study of nanosystems of great technological importance. These include sintering, structure, and mechanical properties of nanostructured ceramics and nanocomposites, structural transformation in semiconductor nanocrystals, nanoindentation, and oxidation of metallic nanoparticles. ©2001 American Institute of Physics.

 

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