ab initio molecule dynamics simulation (IMAGE)

Penn State

ab initio molecule dynamics simulation

Caption

A snapshot of the ab initio molecule dynamics simulations at 753 degrees Kelvin, showing the polarized titanium oxide bonding with local tetragonal structures in various orientations, which depict the local 90 and 180 degree domain walls.

Credit

Courtesy Zi-Kui Liu

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License

CC BY-NC-ND

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