Multi-Scale Computational Microscopy

Important and intriguing phenomena occur in materials at various time and length scales, from femtoseconds to seconds or days and from angstroms to meters. A variety of “at-scale” experimental, theoretical, and computational tools are available to study materials within narrow length and time intervals, as imposed by the limitations of individual techniques. For the case of dynamic, time-dependent phenomena such as phase transformations, irradiation effects, or deformation, the investigation must span multiple length and time-scales and must zoom in and out of the sample. In the experimental domain, these needs are fulfilled by optical and electronic microscopes. In the theoretical and computational domain, multi-scale computer simulations can serve as a basis for “computational microscopy”. This presentation uses at-scale and multi-scale simulations of defect formation, phase transformations and transport in ceramics (CeO2, SiO2, and UO2) and metals (Ga and Al alloys) to illustrate the challenges and opportunities of multi-scale computational microscopy.

Argonne Physics Division Seminar Schedule