Postdoctoral Research Associateship in CS&E

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A series of Molecular Dynamics simulations on atomic arrays of several different materials of up to one million atoms in order to determine critical dislocation mobility parameters is proposed. These are the Peierls stress (the stress required to initiate dislocation motion), and the temperature dependent damping coefficient (obtained from the dislocation velocity as a function of applied stress and temperature). These quantities are extremely difficult to measure directly, or estimate by theoretical means, yet they are of considerable importance in predicting and understanding the plastic response and fracture behavior of materials. Computer simulation are ideally suited, now that reliable interatomic interactions can be constructed for selected metal systems by means of the Embedded Atom Method. This program would be the first serious attempt to determine these quantities for specific metals by computer simulation methods.//