Physics – Condensed Matter – Materials Science
Scientific paper
1997-10-02
Physics
Condensed Matter
Materials Science
LaTex, 42 pages including 15 figures
Scientific paper
Mixed 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.
Miller Robert R.
Ortiz Mauricio
Phillips Raquel
Rodney David
Shenoy Vijay B.
No associations
LandOfFree
An Adaptive Finite Element Approach to Atomic-Scale Mechanics - The Quasicontinuum Method does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with An Adaptive Finite Element Approach to Atomic-Scale Mechanics - The Quasicontinuum Method, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and An Adaptive Finite Element Approach to Atomic-Scale Mechanics - The Quasicontinuum Method will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-92276