Title :
Scalable molecular-dynamics, visualization, and data management algorithms for materials simulations
Author :
Nakano, Aiichiro ; Kalia, Rajiv K. ; Vashishta, Priya
Author_Institution :
Louisiana State Univ., Baton Rouge, LA, USA
Abstract :
Highly efficient algorithms for massively parallel computers, interactive virtual environments for analyzing and steering simulations in real time, and data compression and mining schemes for input/output and knowledge discovery have led to rapid progress in large scale molecular dynamics simulations involving millions of atoms. Consequently, dynamic fracture of materials with realistic microstructures can now be modeled atom-by-atom
Keywords :
data mining; data visualisation; digital simulation; fracture mechanics; mechanical engineering computing; molecular dynamics method; virtual reality; atom-by-atom modeling; data compression; data management algorithms; dynamic fracture; interactive virtual environments; knowledge discovery; large scale molecular dynamics simulations; massively parallel computers; materials simulations; mining schemes; real time; realistic microstructures; scalable molecular dynamics; Algorithm design and analysis; Analytical models; Computational modeling; Computer simulation; Concurrent computing; Data compression; Data mining; Data visualization; Large-scale systems; Virtual environment;
Journal_Title :
Computing in Science & Engineering
DOI :
10.1109/5992.790586
