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Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy

Ruggero Lot 1, 2 Layla Martin-Samos 3 Stefano de Gironcoli 2 Anne Hémeryck 1
1 LAAS-M3 - Équipe Modélisation Multi-niveaux des Matériaux
LAAS - Laboratoire d'analyse et d'architecture des systèmes
2 SISSA / ISAS - Scuola Internazionale Superiore di Studi Avanzati / International School for Advanced Studies
3 IOM - CNR Istituto Officina dei Materiali
Abstract : In this work, we develop a new neural network potential for silicon and perform accurate molecular dynamics simulations of the liquid, amorphous and diamond phases. The potential is tested against several physical properties and the solid phase epitaxy process is simulated.
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Conference papers
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https://hal.laas.fr/hal-03375965
Contributor : Anne Hemeryck Connect in order to contact the contributor
Submitted on : Wednesday, October 13, 2021 - 11:00:10 AM
Last modification on : Tuesday, October 19, 2021 - 11:18:16 PM

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  • HAL Id : hal-03375965, version 1

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LAAS | UNIV-TLSE3 | UT1-CAPITOLE | UNIV-TLSE2 | INSA-TOULOUSE | INSA-GROUPE | LAAS-SYSTEMES-COMPLEXES | CNRS | LAAS-M3 | LAAS-MICRO-NANO-BIO-TECHNOLOGIES

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Ruggero Lot, Layla Martin-Samos, Stefano de Gironcoli, Anne Hémeryck. Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy. 16th IEEE Nanotechnology Materials and Devices Conference (IEEE NMDC 2021), Dec 2021, Vancouver, Canada. ⟨hal-03375965⟩

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