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Showing 1 to 2 of 2 for “"General Utility Lattice Program (GULP)"”.
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A new age of fuel performance code criteria studied through advanced atomistic simulation techniques
… through defects on the oxygen anion sublattice. Results were also compared between the various models. Past studies of kMC point defect migration have not adequately addressed non-standard migration events such as clustering and dissociation of vacancies. As such, the General Utility …
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Water in the Earth’s Interior: Thermodynamics and kinetics of hydrogen incorporation in olivine and wadsleyite
… hydrous point defect in iron-free wadsleyite The general utility lattice program (GULP), a semi-empirical method, was used to simulate the formation of point defects (Mott-Littleton method) in wadsleyite and especially hydrogen incorporation and their corresponding infrared frequencies.