Terry J. Delph

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The objective of this paper is to examine the instability characteristics of both a bulk FCC crystal and a (100) surface of an FCC crystal under uniaxial stretching along a h100i direction using an atomisticbased nonlocal instability criterion. By comparison to benchmark atomistic simulations, we demonstrate that for both the FCC bulk and (100) surface,(More)
We outline here a model for the initiation of defects in crystals based upon harmonic transition state theory (hTST). This model combines a previously developed model for zero-temperature defect initiation with a multidimensional hTST model that is capable of accurately predicting the effects of temperature and loading rate upon defect initiation. The model(More)
We employ Monte Carlo simulation in the semi-grand canonical ensemble to obtain the coarse-grained free energy corresponding to an embedded-atom method description of a binary alloy. In particular, the Ginzburg-Landau free energy for a Cu-Ni alloy was determined from a tabulated histogram of the joint probability density of composition, energy, and volume.(More)
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