24 citations · 39 across the 8 of their papers we have counts for
3 papers · 1 filter
A defect-chemistry-informed phase-field model of grain growth in oxide ceramics: application to Fe-doped SrTiO3
Kai Wang, Roger A. De Souza, Xiang-Long Peng +4
Dopants can significantly affect the properties of oxide ceramics through their impact on the property-determined microstructure characteristics such as grain boundary (GB) segrega…
Understanding phase transitions of -quartz under dynamic compression conditions by machine-learning driven atomistic simulations
Linus C. Erhard, Christoph Otzen, Jochen Rohrer +2
Characteristic shock effects in silica serve as a key indicator of historical impacts at geological sites. Despite this geological significance, atomistic details of structural tra…
Crystal structure identification with 3D convolutional neural networks with application to high-pressure phase transitions in SiO
Linus C. Erhard, Daniel Utt, Arne J. Klomp +1
Efficient, reliable and easy-to-use structure recognition of atomic environments is essential for the analysis of atomic scale computer simulations. In this work, we train two neur…