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Cement 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: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:scopusElectron-phonon interaction within classical molecular dynamics
ArticleAbstract: We present a model for nonadiabatic classical molecular dynamics simulations that captures with highPalabras claves:Autores:Aabloo A., Alfredo A. Correa, Caro A., Klintenberg M., Samolyuk G.D., Tamm A.Fuentes:scopusErratum: Nonadiabatic forces in ion-solid interactions: The initial stages of radiation damage (Physical Review Letters (2012) 108 (213201))
OtherAbstract:Palabras claves:Autores:Alfredo A. Correa, Artacho E., Caro A., Kohanoff J.J., Sánchez-Portal D.Fuentes:scopusNonadiabatic forces in ion-solid interactions: The initial stages of radiation damage
ArticleAbstract: The Born-Oppenheimer approximation is the keystone for molecular dynamics simulations of radiation dPalabras claves:Autores:Alfredo A. Correa, Artacho E., Caro A., Kohanoff J.J., Sánchez-Portal D.Fuentes:scopusLangevin Dynamics with Spatial Correlations as a Model for Electron-Phonon Coupling
ArticleAbstract: Stochastic Langevin dynamics has been traditionally used as a tool to describe nonequilibrium procesPalabras claves:Autores:Alfredo A. Correa, Caro A., Caro M., Klintenberg M., Samolyuk G.D., Tamm A.Fuentes:scopusOn the local density dependence of electronic stopping of ions in solids
ArticleAbstract: We use time-dependent density functional theory to calculate the electronic stopping Se in binary NiPalabras claves:Binary collisions, Electronic stopping power, nickel, Time Dependent Density Functional TheoryAutores:Alfredo A. Correa, Caro A., Caro M., Tamm A.Fuentes:scopusInfluence of chemical disorder on energy dissipation and defect evolution in advanced alloys
ArticleAbstract: Historically, alloy development with better radiation performance has been focused on traditional alPalabras claves:Alloy, ion-solid interactions, Radiation effectsAutores:Aidhy D.S., Alfredo A. Correa, Bei H., Beland L.K., Caro A., Caro M., Jin K., Larson B.C., Lu C., Olsen R.J., Robertson I.M., Samolyuk G.D., Stocks G.M., Ullah M.W., Wang L., Weber W.J., Xue H., Zhang Y., Zhao S.Fuentes:scopusRole of electrons in collision cascades in solids. I. Dissipative model
ArticleAbstract: We present a detailed model for the nonadiabatic coupling between ions and electrons in energetic ioPalabras claves:Autores:Alfredo A. Correa, Caro A., Caro M., Tamm A.Fuentes:scopusRole of electrons in collision cascades in solids. II. Molecular dynamics
ArticleAbstract: We present a model for the role of electrons in collision cascades in solids in which the coupling bPalabras claves:Autores:Alfredo A. Correa, Caro A., Caro M., Tamm A.Fuentes:scopus