Analysis 1.3

Analysis 1.3 - Temperature and velocities At equilibrium...

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University of Virginia, MSE 4270/6270: Introduction to Atomistic Simulations, Leonid Zhigilei Temperature and velocities At equilibrium velocity distribution is Maxwell-Boltzmann, () [ ] z y x 2 z 2 y 2 x 2 3 dv dv dv 2kT v v v m exp kT 2 m T , v dN + + π = r m / T k 3 v B 2 = If system is not at equilibrium it is often difficult to separate different contributions to the kinetic energy and to define temperature.
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If system is not at equilibrium it is difficult to separate different contributions to the kinetic energy and to define temperature: Example. Acoustic emissions in a 2D simulation of fracture. Figure by Holian and Ravelo, Phys. Rev. B51, 11275 (1995). Atoms are colored by velocity relative to the left-to- right local expansion velocity, which causes the crack to advance from the bottom up. Velocities of atoms in this snapshot cannot be directly related to the temperature.
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Analysis 1.3 - Temperature and velocities At equilibrium...

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