Browsing by Author "Davis, Sergio"

Now showing items 1-11 of 11

    • A model for defect formation in materials exposed to radiation 
      Davis, Sergio; González Cataldo, Felipe Andrés; Gutiérrez Gallardo, Gonzalo Javier; Avaria, Gonzalo; Bora, Biswajit; Jain, Jalaj; Moreno, José; Pávez, Cristian; Soto, Leopoldo (American Institute of Physics, 2021)
      A simple model for the stochastic evolution of defects in a material under irradiation is presented. Using the master-equation formalism, we derive an expression for the average number of defects in terms of the power flux ...
    • 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, ...
    • Dynamic properties of a classical anisotropic Heisenberg chain under external magnetic field 
      Davis, Sergio; Gutiérrez Gallardo, Gonzalo (ELSEVIER SCIENCE BV, 2005-01-31)
      We investigate the dynamic properties of a classical anisotropic Heisenberg chain interacting with an external magnetic field at different temperatures. Properties such as time-dependent energy autocorrelation and space-time ...
    • 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 ...
    • Hamiltonian formalism and path entropy maximization 
      Davis, Sergio; González, Diego (IOP, 2015)
      Maximization of the path information entropy is a clear prescription for constructing models in non-equilibrium statistical mechanics. Here it is shown that, following this prescription under the assumption of arbitrary ...
    • Hypervelocity impact of copper nano-projectiles on copper 
      Amigo, N.; Loyola, C.; Davis, Sergio; Gutiérrez, G. (Elsevier, 2013)
      An atomic-level simulation of the collisions between a nano-projectile against a target, both composed of copper, is presented. The study is performed by means of molecular dynamics simulations, in a system at a temperature ...
    • A maximum entropy model for opinions in social groups 
      Davis, Sergio; Navarrete, Yasmín; Gutiérrez Gallardo, Gonzalo (Springer-Verlag, 2014)
      We study how the opinions of a group of individuals determine their spatial distribution and connectivity, through an agent-based model. The interaction between agents is described by a Hamiltonian in which agents are ...
    • 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, ...
    • Temperature is not an observable in superstatistics 
      Davis, Sergio; Gutiérrez Gallardo, Gonzalo (Elsevier, 2018-04-11)
      Superstatistics (Beck and Cohen, 2003) is a formalism that attempts to explain the presence of distributions other than the Boltzmann–Gibbs distributions in Nature, typically powerlaw behavior, for systems out of equilibrium ...