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Showing 1 to 3 of 3 for “"Kinetic Monte Carlo method"”.
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An off-lattice kinetic Monte Carlo method for the investigation of grain boundary kinetic processes
Kinetic Monte Carlo (Kc) methods have the potential to extend the accessible timescales of off-lattice atomistic simulations beyond the limits of molecular dynamics by making use of transition state theory and parallelization. However, it is a challenge to identify a complete catalog of events …
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Disorder and nanopatterning in ordered binary alloys: in situ ion irradiation and kinetic Monte Carlo simulation
… these and other disordering behaviors through a kinetic Monte Carlo method. For simplicity, we focus these investigations on two-dimensional, ordered AB alloys featuring various first and second neighbor ordering energies. Disorder is imposed in these simulated alloys through manipulation of …
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Atomistic model of void nucleation and growth during electromigration
… conditions we have used the Embedded Atom Method (BAM) to determine the structure and formation energies of small voids (up to 20 vacancies) in aluminum and copper both in bulk and at several special grain boundaries. We find that small voids at grain boundaries have a tendency to form …