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Tuesday, August 18, 2009
2:00 PM - 3:30 PM
T-4 Conference Room (TA-3, Bldg 524)

Seminar

Locally Disrupted Synchronization in Langevin Molecular Dynamics

Grace Chen (UGS at Columbia), Samuel Denny (UGS at Cambridge),

A system of atoms evolved under Langevin dynamics has a trajectory in phase space independent of initial conditions, once the random number sequence is specified. A disturbance in such a system produces a localized desynchronization, which if properly understood may enable future advanced atomistic simulation algorithms. We characterize the desynchronization resulting from spatially localized disturbances in systems, and propose a simple model for this behavior. We consider systems of atoms interacting via a Lennard-Jones potential, and predict the spatial extent and magnitude of the desynchronization across the lattice. The four undergraduate authors did this work for their 2009 research in industrial projects for students (RIPS) project at the institute for pure and applied mathematics (IPAM) at UCLA during eight weeks this summer. Art Voter, T-1, was their "industrial" mentor for this project.

Host: Arthur Voter, voter@lanl.gov