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Hannah (Xinran) Zhang (who graduated from WFU in May 2015 with an BS degree in Physics), conducted classical mechanics simulations of lithium diffusion in solids. Part of this work comprises her senior thesis. |
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This animation represents 1500 atoms of Li2O moving in a periodic simulation cell at a temperature of 1800 K. The red balls represent oxygen and the blue balls represent Li. The simulation was performed using LAMMPS from Sandia National Laboratory. The visualization, produced with XcrySDEN software, represents 300 ps of molecular dynamics, looping over 30 frames. |
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This animation represents 685 atoms of Li metal, initially in a body-centered cubic structure with one vacancy, moving in a periodic simulation cell at a temperature of 400 K. The blue balls represent Li. The simulation was performed using LAMMPS from Sandia National Laboratory. The visualization, using XcrySDEN software, represents 0.2 ps of molecular dynamics, looping over 40 frams. |