1985/01/01 by J. Hughto, C. J. Horowitz, A. S. Schneider +8 · 2 citations
Chemistry · Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Art #Chemistry #Component (thermodynamics) #Computational chemistry #Dust and Plasma Wave Phenomena #Geological and Geophysical Studies Worldwide #Geological and Tectonic Studies in Latin America #Humanities #Material Dynamics and Properties #Materials science #Molecular dynamics #Organic chemistry #Paleontology and Stratigraphy of Fossils #Phase (matter) #Philosophy #Physics #Plasma #Statistical physics #Thermodynamics #astro-ph.SR #nanoparticles nucleation surface interactions #physics.plasm-ph
paper · pdf · doi:10.1103/physreve.86.066413
published as Phys. Rev. E 86, 066413 (2012) · 11 pages, 6 figures, Phys Rev E in press
openalex publication_date 1985/01/01 · arxiv created 2012/12/14 · arxiv updated 2015/01/28 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/04
The neutron-rich isotope ²²Ne may be a significant impurity in carbon and oxygen white dwarfs and could impact how the stars freeze. We perform molecular dynamics simulations to determine the influence of ²²Ne in carbon-oxygen-neon systems on liquid-solid phase equilibria. Both liquid and solid phases are present simultaneously in our simulation volumes. We identify liquid, solid, and interface regions in our simulations using a bond angle metric. In general we find good agreement for the composition of liquid and solid phases between our MD simulations and the semianalytic model of Medin and Cumming. The trace presence of a third component, neon, does not appear to strongly impact the chemical separation found previously for two-component carbon and oxygen systems. This suggests that small amounts of ²²Ne may not qualitatively change how the material in white dwarf stars freezes. However, we do find systematically lower melting temperatures (higher Γ) in our MD simulations compared to the semianalytic model. This difference seems to grow with impurity parameter Qimp and suggests a problem with simple corrections to the linear mixing rule for the free energy of multicomponent solid mixtures that is used in the semianalytic model.