Impact of Chemical Clustering on the Structural, Topological, and Functional Properties of Ba(Zr_xTi_{1-x})O_3: An Atomistic Simulation Study
Materials
Molecular dynamics simulations investigate how local chemical clustering affects structural and functional properties of Ba(Zr_xTi_{1-x})O_3 in ferroelectric and relaxor regimes, revealing mechanisms of chemical inhomogeneity on material performance.
See LICENSE file Molecular DynamicsBZT MaterialChemical Clustering