2 papers
cond-mat.mtrl-sci2021
On-lattice voxelated convolutional neural networks for prediction of phase diagrams and diffusion barriers in cubic alloys
Seyedeh Mohadeseh Taheri-Mousavi, Seyed Sina Moeini-Ardakani, Ryan W. Penny +2
Cluster expansion approximates an on-lattice potential with polynomial regression. We show that using a convolutional neural network (CNN) instead leads to more accurate prediction…
cond-mat.mtrl-sci2021
Highly efficient parallel grand canonical simulations of interstitial-driven deformation-diffusion processes
Seyed Sina Moeini-Ardakani, Seyedeh Mohadeseh Taheri-Mousavi, Ju Li
Diffusion of interstitial alloying elements like H, O, C, and N in metals and their continuous relocation and interactions with their microstructures have crucial influences on met…