Welcome to our web pages.
Our group focuses mainly on computer modeling of the structure and properties of grain boundaries,
metal-metal and metal-ceramic interfaces, dislocations and other lattice defects. These calculations
range from ab initio LDA based electronic structure calculations, real space tight-binding methods,
to state of the art empirical approaches allowing modeling of large enough systems to be able to
analyze complex real situations. The development of these methods is an integral part of the
research. The principal goal of these studies is to build a bridge between basic physics and
engineering of materials.
Current research topics:
- Atomic and electronic structure of interfaces and dislocations.
- Atomic and mesoscopic processes of deformation and fracture and link to solid mechanics analyses.
- Deformation and fracture of complex intermetallic compounds.
- Development and applications of Bond-order potentials.
- Mechanism of brittle-ductile transition.
The full description of the projects that are currently being solved in our group can be found by
clicking on RESEARCH PROJECTS in the menu bar.
Should you have any questions related to our research, please feel free to contact us at the address
Laboratory for Research on the Structure of Matter
Department of Materials Science and Engineering, University of Pennsylvania
3231 Walnut Street
Philadelphia, PA 19104
tel.: 215-898-7883 (V. Vitek)
fax: 215-573-2128 (departmental fax)