Atomic vibrations in crystals

The first four simulations show the atomic vibrations for a one dimensional mass/spring chain (equal masses) for several phonon modes and a polaron mode. The next two simulations show the simplified motions for the vibrations of tungsten (W) and zirconium (Zr) in the negative thermal expansion material ZrW2O8. The last simulation shows dimeron motion at a temperature just above the ferromagnetic transition temperature, Tc.

NSF support: DMR007186, DMR0301971

Long Wavelength Acoustic Phonon
Short Wavelength Acoustic Phonon
Short Wavelength Optical Phonon
Polaron (static and motion of)
Negative Thermal Expansion
Negative Thermal Expansion in 3-D