30 citations · 81 across the 5 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…
Predicted phase diagram of B-C-N
Hantao Zhang, Sanxi Yao, Michael Widom
Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a c…
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),…