106 citations · 311 across the 11 of their papers we have counts for
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Phase Diagram of Carbon Nickel Tungsten: Superatom Model
Sanxi Yao, Qin Gao, Michael Widom +2
Carbon solubility in face-centered cubic Ni-W alloys and the phase diagram of C-Ni-W are investigated by means of first principle calculations and semi-grand canonical Monte Carlo…
Phase Diagram of Boron Carbide With Variable Carbon Composition
Sanxi Yao, Qin Gao, Michael Widom
Boron carbide exhibits intrinsic substitutional disorder over a broad composition range. The structure consists of 12-atom icosahedra placed at the vertices of a rhombohedral latti…
Machine Learning methods for interatomic potentials: application to boron carbide
Qin Gao, Sanxi Yao, Jeff Schneider +1
Total energies of crystal structures can be calculated to high precision using quantum-based density functional theory (DFT) methods, but the calculations can be time consuming and…
Phase Transitions of Boron Carbide: Pair Interaction Model of High Carbon Limit
Sanxi Yao, W. P. Huhn, M. Widom
Boron Carbide exhibits a broad composition range, implying a degree of intrinsic substitutional disorder. While the observed phase has rhombohedral symmetry (space group R3(bar)m),…