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cond-mat.mtrl-sci2020
MultiShifter: software to generate structural models of extended two-dimensional defects in 3D and 2D crystals
Jon Gabriel Goiri, Anton Van der Ven
Extended defects in crystals, such as dislocations, stacking faults and grain boundaries, play a crucial role in determining a wide variety of materials properties. Extended defect…
cs.LG2020★ 32 cited
Scale bridging materials physics: Active learning workflows and integrable deep neural networks for free energy function representations in alloys
Gregory Teichert, Anirudh Natarajan, Anton Van der Ven +1
The free energy plays a fundamental role in descriptions of many systems in continuum physics. Notably, in multiphysics applications, it encodes thermodynamic coupling between diff…