Events
Place: DPG Frühjahrstagung der Sektion AMOP (SAMOP) und der Sektion Kondensierte Materie (SKM), Dresden, Germany
Ingo Steinbach
The possibility to build a material from its constituents, the atomic
cores and electrons, on a computer at finite temperatures inspires the
imagination of materials scientists from academic research as well as
from industry.
In a hierarchical approach information from the electronic and atomistic scale can be transformed to defect structures on
a mesoscopic scale, the knowledge of which is crucial for advanced materials descriptions on the macroscopic scale. An alternative approach,
and even more ambitious, is the concurrent multiscale method which
aims on representing multiple scales in one calculation. A well known
application is propagation of a crack tip where the mechanical load
on a work piece is transferred by seamless combinations of materials
models down to the atomic bonds. The reason to formulate these hierarchies and combinations of models is obviously the impossibility to
represent the whole work piece by atoms in today’s (and tomorrows)
computers. The talk will
review the state of the art of modern multi-
scale materials simulation and highlights new developments from the author's own research.
