1 code implementation • 21 Nov 2020 • 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.
Materials Science
no code implementations • 30 Jan 2020 • Gregory Teichert, Anirudh Natarajan, Anton Van der Ven, Krishna Garikipati
Specifically, we have developed an integrable deep neural network (IDNN) that can be trained to free energy derivative data obtained from atomic scale models and statistical mechanics, then analytically integrated to recover a free energy density function.