Short range order and network connectivity in amorphous AsTe 3 : A first principles, machine learning and XRD study

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript DOI: 10.1039/D0CP03383A, PaperGaelle Delaizir, andrea piarristeguy, Annie Pradel, Olivier Masson, Assil Bouzid The atomic scale structure of amorphous AsTe3is investigated through X-ray diffraction, first-principles molecular dynamics (FPMD), and machine learning interatomic potentials (ML-GAP) ob-tained by exploiting the ab-initio data. We obtain a... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - September 18, 2020 Category: Chemistry Authors: Gaelle Delaizir Source Type: research