90 citations · 211 across the 6 of their papers we have counts for
7 papers
Pressure-induced desalting of NaCl-bearing ice VII: A compositional filter in water-rich planets
Alasdair Nicholls, Tomasz Poreba, Xi Zhu +6
Sodium chloride is a major component of extraterrestrial oceans, but it is generally assumed to be excluded from the high-pressure ice mantles of water-rich planets. Here we show t…
Impact-induced Vaporization During Accretion of Planetary Bodies
Adrien Saurety, Razvan Caracas, Sean N. Raymond
Giant impacts dominate the late stages of accretion of rocky planets. They contribute to the heating, melting, and sometimes vaporizing of the bodies involved in the impacts. Due t…
Analyzing melts and fluids from ab initio molecular dynamics simulations with the UMD package
Razvan Caracas, Anais Kobsch, Natalia V. Solomatova +3
We develop a Python-based open-source package to analyze the results stemming from ab initio molecular-dynamics simulations of fluids. The package is best suited for applications o…
The Shock Physics of Giant Impacts: Key Requirements for the Equations of State
Sarah T. Stewart, Erik J. Davies, Megan S. Duncan +6
We discuss major challenges in modeling giant impacts between planetary bodies, focusing on the equations of state (EOS). During the giant impact stage of planet formation, rocky p…
Reconciling Magma-Ocean Crystallization Models with the present-day Structure of the Earth's mantle
Maxim D. Ballmer, Diogo L. Lourenço, Kei Hirose +2
Terrestrial planets are thought to experience episode(s) of large-scale melting early in their history. Fractionation during magma-ocean freezing leads to unstable stratification w…
Prediction of polar ordered oxynitride perovskites
Razvan Caracas, R. E. Cohen
Using a materials by design approach, the authors find a class of ordered oxynitride piezoelectrics with perovskite structure. They predict that ordered YSiO2N and YGeO2N are chara…
Theoretical determination of the Raman spectra of MgSiO3 perovskite and post-perovskite at high pressure
Razvan Caracas, Ronald E. Cohen
We use the density functional perturbation theory to determine for the first time the pressure evolution of the Raman intensities for a mineral, the two high-pressure structures of…