An Adaptive Finite Element Approach to Atomic-Scale Mechanics - The Quasicontinuum Method

Simple item page
dc.creatorShenoy, V. B.
dc.creatorMiller, R.
dc.creatorTadmor, E. B.
dc.creatorRodney, D.
dc.creatorPhillips, R.
dc.creatorOrtiz, M.
dc.date1997-10-02
dc.date.accessioned2026-07-07T03:09:12Z
dc.date.available2026-07-07T03:09:12Z
dc.descriptionMixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and continuum models through the device of the finite element method which permits a reduction of the full set of atomistic degrees of freedom. The present paper gives a full description of the quasicontinuum method, with special reference to the ways in which the method may be used to model crystals with more than a single grain. The formulation is validated in terms of a series of calculations on grain boundary structure and energetics. The method is then illustrated in terms of the motion of a stepped twin boundary where a critical stress for the boundary motion is calculated and nanoindentation into a solid containing a subsurface grain boundary to study the interaction of dislocations with grain boundaries.
dc.descriptionLaTex, 42 pages including 15 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/9710027
dc.identifierhttp://arxiv.org/abs/cond-mat/9710027
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/27792
dc.subjectMaterials Science
dc.titleAn Adaptive Finite Element Approach to Atomic-Scale Mechanics - The Quasicontinuum Method
dc.typetext

Files

Collections

arXiv