Hybrid atomistic simulation methods for materials systems
- 16 January 2009
- journal article
- Published by IOP Publishing in Reports on Progress in Physics
Abstract
No abstract availableThis publication has 75 references indexed in Scilit:
- Low-speed fracture instabilities in a brittle crystalNature, 2008
- Special Issue on PolarizationJournal of Chemical Theory and Computation, 2007
- Coupled quantum mechanical/molecular mechanical modeling of the fracture of defective carbon nanotubes and graphene sheetsPhysical Review B, 2007
- Lattice Trapping Barriers to Brittle FracturePhysical Review Letters, 2003
- Improving the convergence of defect calculations in supercells: Anab initiostudy of the neutral silicon vacancyPhysical Review B, 2003
- Concurrent coupling of length scales: Methodology and applicationPhysical Review B, 1999
- An adaptive finite element approach to atomic-scale mechanics—the quasicontinuum methodJournal of the Mechanics and Physics of Solids, 1999
- Quasicontinuum models of fracture and plasticityEngineering Fracture Mechanics, 1998
- Quasicontinuum analysis of defects in solidsPhilosophical Magazine A, 1996
- Charge equilibration for molecular dynamics simulationsThe Journal of Physical Chemistry, 1991