
A strategic objective of computational materials physics is the accurate description of specific materials on length scales approaching the meso and macroscopic. We report on progress towards this goal by describing a seamless coupling of continuum to statistical to quantum mechanics, involving an algorithm, implemented on a parallel computer, for handshaking between finite elements, molecular dynamics, and semiempirical tight binding. We illustrate and validate the methodology using the example of crack propagation in silicon.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 474 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Top 1% | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 1% | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |
