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Computational Materials Group: On-line resources

G for Ti
Data files of electron-phonon coupling, electron heat capacity, and chemical potential of metals (Au, Ni, Cu, Pt, Ag, Al, W, Mo, Ti, Fe) at electron temperatures up to 50000 K; electron DOS calculated with VASP

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Codes for structural analysis of atomistic models of carbon fiber microstructure

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Computational samples generated in mesoscopic modeling of vertically aligned carbon nanotube (VACNT) arrays

Animated sequences of snapshots from molecular dynamics simulations of
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laser melting
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laser ablation
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laser spallation
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"molecular balloons"
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MAPLE of polymers and CNTs
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surface nanocrystallization, swelling, incubation, effect of a solid overlayer
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network of nanotubes

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Java applet for interactive MD simulations written by Stephen Guy

Course materials for
 »   MSE 6020: Defects and Microstructure in Materials
 »   MSE 4592/6270: Introduction to Atomistic Simulations
 »   MSE 3050: Thermodynamics and Kinetics of Materials
 »   MSE 2090: Introduction to the Science and Engineering of Materials