Browsing by Author "Peralta, Joaquín"

Now showing items 1-6 of 6

    • A Bayesian Interpretation of First-Order Phase Transitions 
      Davis, Sergio; Peralta, Joaquín; Navarrete, Yasmín; González, Diego; Gutiérrez Gallardo, Gonzalo (Springer, 2015)
      In this work we review the formalism used in describing the thermodynamics of first-order phase transitions from the point of view of maximum entropy inference. We present the concepts of transition temperature, latent ...
    • Computer simulation study of amorphous compounds: structural and vibrational properties 
      Gutiérrez Gallardo, Gonzalo; Menéndez Proupin, Eduardo; Loyola, Claudia; Peralta, Joaquín; Davis, Sergio (SPRINGER, 2010-05-15)
      Molecular dynamic (MD) simulations, both classical and ab initio, of amorphous GeO2 (germania), Al2O3 (alumina), and CdTeO compounds are presented. We focus our attention on the structural and vibrational properties, ...
    • A GPU enhanced approach to identify atomic vacancies in solid materials 
      Peralta, Joaquín; Loyola, Claudia; Davis, Sergio (Elsevier, 2015)
      Identification of vacancies in atomic structures plays a crucial role in the characterization of a material, from structural to dynamical properties. In this work we introduce a computationally improved vacancy recognition ...
    • Onset of failure in argon by the effect of a shockwave: A molecular dynamics study 
      Loyola, Claudia; Davis, Sergio; Peralta, Joaquín; Gutiérrez Gallardo, Gonzalo (ELSEVIER SCIENCE BV, 2010-06-26)
      Molecular dynamic simulations of shockwaves in solid argon were performed. The simulation cell contains 51,840 atoms at 5 K interacting by means of a pairwise potential. The shockwave itself was introduced explicitly in ...
    • Las Palmeras Molecular Dynamics: A flexible and modular molecular dynamics code 
      Davis, Sergio; Loyola, Claudia; González, Felipe; Peralta, Joaquín (ELSEVIER SCIENCE BV, 2010-08-25)
      Las Palmeras Molecular Dynamics (LPMD) is a highly modular and extensible molecular dynamics (MD) code using interatomic potential functions. LPMD is able to perform equilibrium MD simulations of bulk crystalline solids, ...
    • Structural and vibrational properties of amorphous GeO2: a molecular dynamics study 
      Peralta, Joaquín; Gutiérrez Gallardo, Gonzalo; Rogan Castillo, José (IOP PUBLISHING LTD, 2008-04-09)
      We studied the structural and dynamical properties of amorphous germanium oxide (GeO2) by means of the molecular dynamics technique. The simulations were done in the microcanonical ensemble, with a system at density of ...