@inproceedings{Mothes12:SciVis,
    type = {inproceedings},
    key = {Mothes12:SciVis},
    title = {Visualization of Barium Titanate Phase Transition using Quantization of Dipole Moment Vectors},
    author = {Henry Lehmann and Patrick Heyne and Oliver Mothes and Heiko Müller and Tim Smyth and Erik Berger and Katja Fiedler and David Vogt and Bernhard Jung},
    booktitle = {Electronic Proceedings IEEE VisWeek},
    year = {2012},
    note = {Third Place Award IEEE SciVis Contest 2012},
    abstract = {In this paper we present our approach to visualizing a phase transition of barium titanate as contribution to the IEEE Visualization Contest 2012. The visualization is based on data sets from a molecular dynamics simulation of a barium titanate crystal comprising 625.000 atoms. The scenario is a phase transition between paraelectric (cubic) and ferroelectric (tetragonal) phase. The goal of the visualization is to give insight into the evolution of polarization domains during 900 picoseconds of simulation time. The development of polarization domains is captured by vector quantization of dipole moments computed from the lattice cells. Due to strong thermal vibrations of the atoms, the domain evolution is quite noisy. This noise can be reduced through temporal smoothing and a clustering technique that allows for a small number of differently polarized cells within a domain. In this way, domains of reasonable size are identified and a global visualization of the phase transition},
    owner = {mothes},
    timestamp = {2016.01.08},
}