Documentos de Alfredo A. Correa | REDI

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Mostrando 10 resultados de: 15

Filtros aplicados

Área temáticas: "Química inorgánica"

Subtipo de publicación

Conference Object(2)

Publisher

Physical Review B(2)

Physical Review B - Condensed Matter and Materials Physics(2)

AIP Conference Proceedings(1)

Acta Materialia(1)

Contributions to Plasma Physics(1)

Área temáticas

Química física(6)

Física aplicada(4)

Ingeniería y operaciones afines(4)

Física moderna(2)

Área de conocimiento

Ciencia de materiales(9)

Ciencias de la computación(1)

Espectroscopia(1)

Física de partículas(1)

Año de Publicación

Origen

Palabras Claves

2d materials(1)

Classical molecular dynamics(1)

Computation/computing(1)

Continuum model(1)

Density functional molecular dynamics(1)

A steinberg-guinan model for high-pressure carbon: Diamond phase

Conference Object

Abstract: Since the diamond phase of carbon has such a high yield strength, dynamic simulations must account f

Palabras claves:

carbon, Continuum model, diamond, Strength

Alfredo A. Correa, Klepeis J., Orlikowski D., Schwegler E.

Core Electrons in the Electronic Stopping of Heavy Ions

Abstract: Electronic stopping power in the keV/Å range is accurately calculated from first principles for high

Palabras claves:

Alfredo A. Correa, Artacho E., Ullah R.

Cement As a Waste Form for Nuclear Fission Products: The Case of <sup>90</sup>Sr and Its Daughters

Abstract: One of the main challenges faced by the nuclear industry is the long-term confinement of nuclear was

Palabras claves:

Alfredo A. Correa, Caro A., Dezerald L., Kohanoff J.J., Pellenq R., Saul A., Ulm F.

Ab initio modeling of nonequilibrium electron-ion dynamics of iron in the warm dense matter regime

Abstract: The spatiotemporal electron and ion relaxation dynamics of iron induced by femtosecond laser pulses

Palabras claves:

Alfredo A. Correa, Fernandez-Panella A., Hamel S., Ogitsu T., Pemmaraju C.D., Ping Y., Prendergast D.G.

First-principles multiphase equation of state of carbon under extreme conditions

Abstract: We describe the construction of a multiphase equation of state for carbon at extreme pressures based

Palabras claves:

Alfredo A. Correa, Benedict L.X., Bonev S.A., Schwegler E., Young D.A.

Electron dynamics in extended systems within real-time time-dependent density-functional theory

Abstract: Abstract: Due to a beneficial balance of computational cost and accuracy, real-time time-dependent d

Palabras claves:

2d materials, Computation/computing, METAL, Quantum effects, Radiation effects, Semiconducting

Alfredo A. Correa, Andrade X., Baczewski A.D., Constantinescu E., dos Santos T.P., Kanai Y., Kononov A., Lee C.W., Modine N., Robinson B., Schleife A., Yao Y.

Effect of chemical disorder on the electronic stopping of solid solution alloys

Abstract: The electronic stopping power of nickel-based equiatomic solid solutions alloys NiCr, NiFe and NiCo

Palabras claves:

Alfredo A. Correa, Andrade X., Quashie E.E., Ullah R.

Multiphase equation of state for carbon addressing high pressures and temperatures

Abstract: We present a 5-phase equation of state for elemental carbon which addresses a wide range of density

Palabras claves:

Alfredo A. Correa, Benedict L.X., Driver K.P., Hamel S., Militzer B., Qi T., Saul A., Schwegler E.

High-temperature ion-thermal behavior from average-atom calculations

Abstract: Atom-in-jellium calculations of the Einstein frequency were used to calculate the mean displacement

Palabras claves:

Alfredo A. Correa, Benedict L.X., Bennett B.I., Bethkenhagen M., Hamel S., Lockard T., Sterne P.A., Swift D.C.

Molecular Dynamics Simulations of Warm Dense Carbon

Abstract: We present classical and DFT-based molecular dynamics (MD) simulations of carbon in the warm dense m

Palabras claves:

Classical molecular dynamics, Density functional molecular dynamics, Equation of state

Alfredo A. Correa, Benedict L.X., Hamel S., Sanchez D.M., Whitley H.D.