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Realistic time-scale fully atomistic simulations of surface nucleation of dislocations in pristine nanopillars
Dislocations Molecular Dynamics Atomistic simulation Nucleation Activation Energy Accelerated Dynamics Nanomechanics
2012/2/24
We use our recently proposed accelerated dynamics algorithm (Tiwary and van de Walle, 2011) to calculate temperature and stress dependence of activation free energy for surface nucleation of dislocati...
Crystal growth nucleation and Fermi energy equalization of intrinsic spherical nuclei in glass-forming melts
metallic glasses intrinsic growth nuclei crystal nucleation
2010/1/18
The energy saving resulting from the equalization of Fermi energies of a crystal and its melt is added to the Gibbs free-energy change ΔG2ls associated with a crystal formation in glass-forming melts....