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- W2109395355 abstract "We utilize the many-body potentials developed by Sutton and Chen within the context of the tight-binding approach to study the bulk properties of metals and metal alloys in molecular dynamics (MD) simulations. In the simulations of PtRh alloys we used the MD algorithms based on an extended Hamiltonian formalism from the works of Andersen, Parrinello and Rahman, Nose, Hoover, and Cagin. The simulator program that we use generates information about various physical properties during the run time, along with critical trajectory and stepwise information which need to be analysed post production. The thermodynamical and mechanical properties are calculated using the statistical fluctuation expressions over the MD." @default.
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- W2109395355 date "1997-04-01" @default.
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- W2109395355 title "Thermal and mechanical properties of Pt-Rh alloys" @default.
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- W2109395355 doi "https://doi.org/10.1080/095008397179633" @default.
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