Multiscale simulations of complex physical phenomena
Event details
| Date | 19.04.2010 |
| Hour | 16:15 |
| Speaker | Prof. Efthimios Kaxiras, EPFL, STI, IMX, LMMM |
| Location |
CE 4 - Centre Est
|
| Category | Conferences - Seminars |
A variety of physical phenomena involve multiple spatial and temporal scales. Examples of such behavior include: the mechanical properties of crystals and in particular the interplay of chemistry and external stress in determining the macroscopic brittle or ductile response of solids; the effect of molecular-scale forces at interfaces on macroscopic phenomena like wetting and friction; the effect of meso-scale forces on the behavior of biomolecules, as in experiments of DNA electronic sequencing.
In these complex physical systems, the changes in bonding and atomic configurations at the microscopic, atomic level have profound effects on the macroscopic properties, be they of mechanical or electrical nature. Linking the processes at the two extremes of the scale spectrum is the only means of achieving a deeper understanding of these phenomena and, ultimately, of being able to predict and control them.
While methodologies for describing the physics at a single scale are well developed in many fields of physics, chemistry or engineering, methodologies that couple scales remain a challenge, both from the conceptual point as well as from the computational point. In this presentation I will discuss the development of methodologies for simulations across disparate length and time scales with the aim of obtaining a detailed description of complex phenomena of the type described above. Some examples of recent applications include chemical embrittlement of metals, DNA conductivity and translocation through nanopores, and patterns of fluid flow in arterial geometries and their interactions with the endothelial layer
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- General public
- Free