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Browsing Química Física by Author "Álvarez, Luis Javier"
Now showing items 1-4 of 4
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Article
Effects of nonstoichiometry in the melting process of Y2O3 from molecular dynamics simulations
Álvarez, Luis Javier; San Miguel, Miguel Ángel; Odriozola Gordón, José Antonio (American Physical Society, 1999)Molecular dynamics simulations in the microcanonical ensemble of liquid yttrium oxide were performed at a temperature of ...
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Article
Molecular-dynamics simulations of liquid aluminum oxide
San Miguel Barrera, Miguel Ángel; Fernández Sanz, Javier; Álvarez, Luis Javier; Odriozola Gordón, José Antonio (American Physical Society, 1998)The total and partial radial distribution functions g(r) and the corresponding structure factors S(q) were calculated based ...
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Article
Molecular-dynamics simulations of premelting processes in Cr2O3
San Miguel Barrera, Miguel Ángel; Fernández Sanz, Javier; Álvarez, Luis Javier; Odriozola Gordón, José Antonio (American Physical Society, 1998)Molecular-dynamics simulations of the (0001) surface Of Cr2O3 were carried out in the [300-2800 K] range of temperatures ...
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Article
Surface structure of cubic aluminum oxide
Álvarez, Luis Javier; León, Luis Eduardo; Fernández Sanz, Javier; Capitán, María José; Odriozola Gordón, José Antonio (American Institute of Physics Publising LLC, 1994)Molecular-dynamics simulations using a Pauling type pairwise potential have been carried out in order to study the structure ...