416 citations · 556 across the 5 of their papers we have counts for
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A Tetrahedron-tiling Method for Crystal Structure Prediction
Qi-Jun Hong, Joseph Yasi, Axel van de Walle
Reliable and robust methods of predicting the crystal structure of a compound, based only on its chemical composition, is crucial to the study of materials and their applications.…
Direct calculation of lattice Green function with arbitrary interactions for general crystals
Joseph A. Yasi, Dallas R. Trinkle
Efficient computation of lattice defect geometries such as point defects, dislocations, disconnections, grain boundaries, interfaces and free surfaces requires accurate coupling of…
Prediction of thermal cross-slip stress in magnesium alloys from direct first principles data
Joseph A. Yasi, Louis G. Hector, Dallas R. Trinkle
We develop a first-principles model of thermally-activated cross-slip in magnesium in the presence of a random solute distribution. Electronic structure methods provide data for th…
First-principles data for solid-solution strengthening of magnesium: From geometry and chemistry to properties
Joseph A. Yasi, Louis G. Hector, Dallas R. Trinkle
Solid-solution strengthening results from solutes impeding the glide of dislocations. Existing theories of strength rely on solute-dislocation interactions, but do not consider dis…