Uniaxial deformation of silica-reinforced epoxy nanocomposite (set HD 1440p quality)
Автор: Pavel Khalatur
Загружено: 2016-07-31
Просмотров: 440
Описание: Large-scale molecular dynamics simulation of a silica-reinforced epoxy nanocomposite. A well-integrated epoxy network without sol fraction was built dynamically via crosslinking of diglycidil ether of bisphenol-A (DGEBA) with diethylentriamine (DETA) in the presence of 64 embedded silica nanoparticles. The fully atomistic model contains ~3,100,000 atoms (undeformed box size is ~32 nm). The evolution of the system was monitored for 20 ns after relaxation. Pair non-bonded interactions (long-range Coulomb forces and van der Waals forces) were calculated on 64 NVIDIA GPUs, while the calculation of intramolecular bonded interactions and a spatial hashing of the atom data into an array of atom bins was carried out on 896 CPUs of a hybrid high performance computing platform. A portion of the network material is transparent for visual clarity.
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