Application of machine-learning for construction of bias potential: a case study of add-atom hyperdynamics and straight screw dislocation migration

dc.contributor.author	Novikov, Ivan S.
dc.contributor.other	Grabowski, Blazej
dc.contributor.other	Zotov, Nikolay
dc.date.accessioned	2021-03-18T14:20:28Z
dc.date.available	2021-03-18T14:20:28Z
dc.date.issued	2021	de
dc.description.abstract	In this report we describe a bias potential for add-atom global hyperdynamics on the basis of machine-learning (ML) interatomic potential (namely, Moment Tensor Potential, MTP). We compare the results obtained using the ML-bias potential with the ones obtained with conventional bond-boost bias potential. We also discuss possibilities for construction of a ML-bias potential for acceleration a migration of straight screw dislocation.	en
dc.identifier.uri	http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-113679	de
dc.identifier.uri	http://elib.uni-stuttgart.de/handle/11682/11367
dc.identifier.uri	http://dx.doi.org/10.18419/opus-11350
dc.language.iso	en	de
dc.relation	info:eu-repo/grantAgreement/EC/H2020/639211	de
dc.rights	info:eu-repo/semantics/openAccess	de
dc.subject.ddc	530	de
dc.title	Application of machine-learning for construction of bias potential: a case study of add-atom hyperdynamics and straight screw dislocation migration	en
dc.type	report	de
ubs.fakultaet	Chemie	de
ubs.fakultaet	Fakultätsübergreifend / Sonstige Einrichtung	de
ubs.institut	Institut für Materialwissenschaft	de
ubs.institut	Fakultätsübergreifend / Sonstige Einrichtung	de
ubs.publikation.noppn	yes	de
ubs.publikation.seiten	26	de
ubs.publikation.typ	Verschiedenartige Texte	de

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