2017/04/10 by E. S. Skordas, Skordas, Efthimios S.
Earth and Planetary Sciences · Materials Science · #FOS: Physical sciences #Material Dynamics and Properties #Materials Science (cond-mat.mtrl-sci) #Thermal and Kinetic Analysis #nanoparticles nucleation surface interactions
paper · pdf · doi:10.48550/arxiv.1704.02851
openalex publication_date 2017/04/10 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
Recently first principles microscopic calculations, using the generalized gradient approximation, appeared for the solid mixed system AgClxBr1-x at various compositions. Here, we suggest a model that can estimate the compressibility of the mixed crystals in terms of the compressibilities of the end members alone. This model makes use of a single parameter, i.e., the compressibility of a defect volume, when considering the volume variation produced by the addition of a "foreign molecule" to a host crystal as a defect volume.