001046705 001__ 1046705
001046705 005__ 20251129202117.0
001046705 0247_ $$2doi$$a10.1103/2lkd-l6gt
001046705 0247_ $$2ISSN$$a2475-9953
001046705 0247_ $$2ISSN$$a2476-0455
001046705 0247_ $$2datacite_doi$$a10.34734/FZJ-2025-03924
001046705 037__ $$aFZJ-2025-03924
001046705 041__ $$aEnglish
001046705 082__ $$a530
001046705 1001_ $$0P:(DE-Juel1)180172$$aImmel, David$$b0$$eFirst author
001046705 245__ $$aNanoindentation simulations for copper and tungsten with adaptive-precision potentials
001046705 260__ $$aCollege Park, MD$$bAPS$$c2025
001046705 3367_ $$2DRIVER$$aarticle
001046705 3367_ $$2DataCite$$aOutput Types/Journal article
001046705 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1764418937_20592
001046705 3367_ $$2BibTeX$$aARTICLE
001046705 3367_ $$2ORCID$$aJOURNAL_ARTICLE
001046705 3367_ $$00$$2EndNote$$aJournal Article
001046705 520__ $$aWe perform nanoindentation simulations for both the prototypical face-centered cubic metal copper and the body-centered cubic metal tungsten with an adaptive-precision description of interaction potentials including different accuracy and computational costs. We combine both a computationally efficient embedded atom method (EAM) potential and a precise but computationally less efficient machine learning potential based on the atomic cluster expansion (ACE) into an adaptive precision (AP) potential tailored for the nanoindentation. The numerically more expensive ACE potential is employed selectively only in regions of the computational cell where high precision is required. The comparison with pure EAM and pure ACE simulations shows that for Cu, all potentials yield similar dislocation morphologies under the indenter with only small quantitative differences. In contrast, markedly different plasticity mechanisms are observed for W in simulations performed with the central-force EAM potential compared to results obtained using the ACE potential. ACE is able to describe accurately the angular character of bonding, which is in W due to its half-filled 
001046705 536__ $$0G:(DE-HGF)POF4-5111$$a5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)$$cPOF4-511$$fPOF IV$$x0
001046705 588__ $$aDataset connected to CrossRef, Journals: juser.fz-juelich.de
001046705 7001_ $$00000-0001-8216-2254$$aMrovec, Matous$$b1
001046705 7001_ $$00000-0001-7101-8804$$aDrautz, Ralf$$b2
001046705 7001_ $$0P:(DE-Juel1)132274$$aSutmann, Godehard$$b3$$eCorresponding author
001046705 773__ $$0PERI:(DE-600)2898355-5$$a10.1103/2lkd-l6gt$$gVol. 9, no. 9, p. 093805$$n9$$p093805$$tPhysical review materials$$v9$$x2475-9953$$y2025
001046705 8564_ $$uhttps://juser.fz-juelich.de/record/1046705/files/2lkd-l6gt.pdf$$yOpenAccess
001046705 909CO $$ooai:juser.fz-juelich.de:1046705$$popenaire$$popen_access$$pVDB$$pdriver$$pdnbdelivery
001046705 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)180172$$aForschungszentrum Jülich$$b0$$kFZJ
001046705 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)132274$$aForschungszentrum Jülich$$b3$$kFZJ
001046705 9131_ $$0G:(DE-HGF)POF4-511$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5111$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vEnabling Computational- & Data-Intensive Science and Engineering$$x0
001046705 9141_ $$y2025
001046705 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2024-12-05
001046705 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2024-12-05
001046705 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
001046705 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bPHYS REV MATER : 2022$$d2024-12-05
001046705 915__ $$0StatID:(DE-HGF)0113$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2024-12-05
001046705 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2024-12-05
001046705 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5$$d2024-12-05
001046705 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
001046705 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2024-12-05
001046705 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2024-12-05
001046705 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2024-12-05
001046705 920__ $$lyes
001046705 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0
001046705 980__ $$ajournal
001046705 980__ $$aVDB
001046705 980__ $$aUNRESTRICTED
001046705 980__ $$aI:(DE-Juel1)JSC-20090406
001046705 9801_ $$aFullTexts