Department of Materials Science and Engineering
Materials Science and Engineering Calendar
Materials Science and Engineering Calendar
skip to events
advanced search
view calendar
| week selector | S | M | T | W | T | F | S |
|---|---|---|---|---|---|---|---|
go to week of Jan 27, 2013![]() | 27 | 28 | 29 | 30 | 31 | 1 | 2 |
go to week of Feb 3, 2013![]() | 3 | 4 | 5 | 6 | 7 | 8 | 9 |
go to week of Feb 10, 2013![]() | 10 | 11 | 12 | 13 | 14 | 15 | 16 |
go to week of Feb 17, 2013![]() | 17 | 18 | 19 | 20 | 21 | 22 | 23 |
go to week of Feb 24, 2013![]() | 24 | 25 | 26 | 27 | 28 | 1 | 2 |
Event Detail Information
Event Detail Information
Speaker Danny Perez, Los Alamos National Laboratory
Date Feb 19, 2013
Time 2:00 pm
Location 280 Materials Research Laboratory
Sponsor Department of Materials Science and Engineering
Event type seminar
Views 180
Originating Calendar MatSE Seminars
"Entropy and the long-time evolution of materials" - Simulating the microstructural evolution of materials using atomistic methods remains one of the most enduring challenges in computational materials science. This is because many relevant nanoscale processes, e.g. defect nucleation, diffusion, and reaction, occur very slowly (μs-s) on typical vibrational timescales (ps). Systems where the relevant free-energy barriers possess important entropic contributions are especially difficult to investigate. Using two examples, I will show how advanced simulation techniques can address these challenges. First, I will present a recent methodological advancement that enables the direct simulation of systems with large configurational entropies over long timescales. This formalism opens the door to innovative temporally-multiscale simulation methodologies. Second, I will describe a novel mechanism by which vibrational entropy strongly stabilizes nanoscale voids in materials under tension. This leads to an unconventional behavior whereby the dislocation nucleation rate decreases with increasing temperature.

