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The model is illustrated with the simulation of dislocation nucleation during indentation into the $(111)$ and $(\\overline{1}10)$ surfaces of aluminum and compared against results obtained using an embedded atom method interatomic potential. None of the traditional dislocation nucleation criteria (Hertzian principal shear stress, actual principal shear stress, von Mises strain, or resolved shear stress) correlates with a previously proposed local elastic stability criterion, $\\Lambda$. Discrepancies in dislocation nucleation predictions between OFDFT-LQC and other simulations highlight the need for accurate, atomistic constitutive models and the use of realistically sized indenters in the simulations.<\/jats:p>","DOI":"10.1137\/040615869","type":"journal-article","created":{"date-parts":[[2005,8,9]],"date-time":"2005-08-09T16:06:43Z","timestamp":1123603603000},"page":"359-389","source":"Crossref","is-referenced-by-count":34,"title":["Prediction of Dislocation Nucleation During Nanoindentation by the Orbital-Free Density Functional Theory Local Quasi-continuum Method"],"prefix":"10.1137","volume":"4","author":[{"given":"Robin L.","family":"Hayes","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Matt","family":"Fago","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Michael","family":"Ortiz","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Emily A.","family":"Carter","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"351","published-online":{"date-parts":[[2006,7,26]]},"reference":[{"key":"R1","doi-asserted-by":"publisher","DOI":"10.1557\/mrs2000.70"},{"key":"R2","doi-asserted-by":"publisher","DOI":"10.1063\/1.168756"},{"key":"R3","doi-asserted-by":"publisher","DOI":"10.1119\/1.19375"},{"key":"R4","doi-asserted-by":"publisher","DOI":"10.1016\/S0045\u20107825(03)00260\u20103"},{"key":"R5","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-642-96905-8"},{"key":"R6","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.69.094116"},{"key":"R7","doi-asserted-by":"publisher","DOI":"10.1016\/0020-7683(91)90205-T"},{"key":"R8","doi-asserted-by":"publisher","DOI":"10.1557\/JMR.1996.0092"},{"key":"R9","volume-title":"Nonlinear continuum mechanics for finite element analysis","author":"Bonet Javier","year":"1997"},{"key":"R10","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.60.2391"},{"key":"R11","doi-asserted-by":"publisher","DOI":"10.1038\/35577"},{"key":"R12","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.45.566"},{"key":"R13","doi-asserted-by":"publisher","DOI":"10.1007\/BF02917052"},{"key":"R14","doi-asserted-by":"publisher","DOI":"10.1016\/S0038-1098(01)00500-2"},{"key":"R15","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.55.R16057"},{"key":"R16","doi-asserted-by":"publisher","DOI":"10.1088\/0965-0393\/11\/3\/201"},{"key":"R17","doi-asserted-by":"publisher","DOI":"10.3934\/dcdsb.2001.1.257"},{"key":"R18","doi-asserted-by":"publisher","DOI":"10.1209\/0295-5075\/26\/8\/005"},{"key":"R19","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.70.100102"},{"key":"R20","doi-asserted-by":"publisher","DOI":"10.1080\/01418610108214439"},{"key":"R21","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.53.10589"},{"key":"R22","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.66.104103"},{"key":"R23","doi-asserted-by":"publisher","DOI":"10.1016\/1359-6454(96)00010-9"},{"key":"R24","first-page":"147","volume":"3","author":"Ghoniem N.","year":"2002","journal-title":"CMES Comput. 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