Title of article :
Multimillion atom simulation of materials on parallel computers — nanopixel, interfacial fracture, nanoindentation, and oxidation
Author/Authors :
Priya Vashishta، نويسنده , , Martina Bachlechner، نويسنده , , Aiichiro Nakano، نويسنده , , Timothy J. Campbell، نويسنده , , Rajiv K. Kalia ، نويسنده , , Sanjay Kodiyalam، نويسنده , , Shuji Ogata، نويسنده , , Fuyuki Shimojo، نويسنده , , Phillip Walsh، نويسنده ,
Abstract :
We have developed scalable space-time multiresolution algorithms to enable molecular dynamics simulations involving up to a billion atoms on massively parallel computers. Large-scale molecular dynamics simulations have been used to study stress domains and interfacial fracture in semiconductor/dielectric nanopixels, nanoindentation, and oxidation of metallic nanoparticles.
Keywords :
molecular dynamics , Parallel computing , Interface , Indentation , Fracture , Oxidation
