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A steinberg-guinan model for high-pressure carbon: Diamond phase
Conference ObjectAbstract: Since the diamond phase of carbon has such a high yield strength, dynamic simulations must account fPalabras claves:carbon, Continuum model, diamond, StrengthAutores:Alfredo A. Correa, Klepeis J., Orlikowski D., Schwegler E.Fuentes:scopusDevelopment of a multiphase beryllium equation of state and physics-based variations
ArticleAbstract: We construct a family of beryllium (Be) multiphase equation of state (EOS) models that consists of aPalabras claves:Autores:Alfredo A. Correa, Myint P.C., Pask J.E., Prisbrey C.J., Suryanarayana P., Varley J.B., Wu C.J.Fuentes:scopusCalculating electronic stopping power in materials from first principles
ArticleAbstract: From the early models of electronic stopping power to the current first principles simulations, thePalabras claves:Electronic stopping power, First principles, Radiation effects, Time Dependent Density Functional TheoryAutores:Alfredo A. CorreaFuentes:scopusCarbon under extreme conditions: Phase boundaries and electronic properties from first-principles theory
ArticleAbstract: At high pressure and temperature, the phase diagram of elemental carbon is poorly known. We presentPalabras claves:High pressure, melting, Metalization, molecular dynamics, Phase transitionsAutores:Alfredo A. Correa, Bonev S.A., Galli G.Fuentes:scopusCement As a Waste Form for Nuclear Fission Products: The Case of <sup>90</sup>Sr and Its Daughters
ArticleAbstract: One of the main challenges faced by the nuclear industry is the long-term confinement of nuclear wasPalabras claves:Autores:Alfredo A. Correa, Caro A., Dezerald L., Kohanoff J.J., Pellenq R., Saul A., Ulm F.Fuentes:scopusAb initio calculations of the equation of state of hydrogen in a regime relevant for inertial fusion applications
ArticleAbstract: We describe ab initio electronic structure calculations (density functional theory molecular dynamicPalabras claves:Equation of state, Fusion, hydrogenAutores:Alfredo A. Correa, Benedict L.X., Bonev S.A., Clark D.S., Haan S.W., Morales M.A., Schwegler E., Tamblyn I.Fuentes:scopusAccurate atomistic first-principles calculations of electronic stopping
ArticleAbstract: We show that atomistic first-principles calculations based on real-time propagation within time-depePalabras claves:Autores:Alfredo A. Correa, Kanai Y., Schleife A.Fuentes:scopusAdequacy of damped dynamics to represent the electron-phonon interaction in solids
ArticleAbstract: Time-dependent density functional theory and Ehrenfest dynamics are used to calculate the electronicPalabras claves:Autores:Alfredo A. Correa, Caro A., Samolyuk G.D., Stocks G.M., Tamm A.Fuentes:scopusAdiabatic perturbation theory of electronic stopping in insulators
ArticleAbstract: A model able to explain the complicated structure of electronic stopping at low velocities in insulaPalabras claves:Autores:Alfredo A. Correa, Foulkes W.M.C., Horsfield A.P., Lim A.Fuentes:scopusFirst-principles multiphase equation of state of carbon under extreme conditions
ArticleAbstract: We describe the construction of a multiphase equation of state for carbon at extreme pressures basedPalabras claves:Autores:Alfredo A. Correa, Benedict L.X., Bonev S.A., Schwegler E., Young D.A.Fuentes:scopus