1 citations · 1 across the 2 of their papers we have counts for
7 papers
Automated Analysis to Reveal Grain Boundary Phase Microstructures
R. Daniel Moore, Ian S. Winter, Robert E. Rudd +2
We develop a method for analyzing grain boundary (GB) microstructures that identifies distinct interfacial phases and the dislocation line defects separating them. Similar to bulk…
Ductility and Brittle Fracture of Tungsten by Disconnection Pile-up on Twin Boundaries
Omar Hussein, Nicolas Bertin, Jakub Veverka +5
Refractory body-centered cubic (BCC) metals and alloys are of extraordinary importance in modern technological and structural applications. However, their wider adoption in science…
Monte Carlo Simulations of Crystal Defects in Open Ensembles
Flynn Walsh, Babak Sadigh, Joseph T. McKeown +1
Zero- and two-dimensional crystal defects form in open statistical ensembles, such as the grand canonical, that are usually inaccessible with conventional simulation techniques. Th…
Quasi-aperiodic grain boundary phases of Σ5 tilt grain boundaries in refractory metals
Enze Chen, Timofey Frolov
We report new ground-state structures and phase transitions in 5[001] tilt grain boundaries (GBs) in body-centered cubic (BCC) refractory metals Nb, Ta, Mo, and W. 5 tilt G…
Quantifying and Visualizing the Microscopic Degrees of Freedom of Grain Boundaries in the Wigner-Seitz Cell of the Displacement-Shift-Complete Lattice
Ian S. Winter, Timofey Frolov
We introduce a grain boundary (GB) translation vector, , to describe and quantify the domain of the microscopic degrees of freedom of GBs. It has long been recogni…
Grand canonical generative diffusion model for crystalline phases and grain boundaries
Bo Lei, Enze Chen, Hyuna Kwon +5
The diffusion model has emerged as a powerful tool for generating atomic structures for materials science. This work calls attention to the deficiency of current particle-based dif…