Browsing by Author "decec889a0064e8d96b733bd29aa9fe8"
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Analysis and Projections of Physics in Chile
Soto, Leopoldo; Zambra, Marcelo; Loewe, Marcelo; Gutiérrez Gallardo, Gonzalo; Molina Gálvez, Mario; Barra de la Guarda, Felipe; Lund Plantat, Fernando; Saavedra, Carlos; Haberle, Patricio (Institute of Physics (IoP), 2008)In the present work, an assessment of the Physics research capacity in Chile is presented. For this, the period between 2000 and June 2005 has been studied. In this period almost 200 physicists have contributed to ... 
Antecedents and perspectives on the development of nuclear energy in Chile
Gutiérrez Gallardo, Gonzalo (IOP Publishing, 2014)A review of activities and future prospects of nuclear energy in Chile is presented. It shows that the development of this sector is closely linked to the history of the Chilean Nuclear Energy Commission, CCHEN, established ... 
Atomistic study of vibrational properties of gammaAl(2)O(3)
Loyola, Claudia; Menéndez Proupin, Eduardo; Gutiérrez Gallardo, Gonzalo (SPRINGER, 201004)A study of the vibrational density of states (DOS) of cAl2O3 is presented. Four structural models from the recent literature are considered: vacant spinel model and three nonspinel models. The vacant spinel and one ... 
A Bayesian Interpretation of FirstOrder 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 firstorder 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, 20100515)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, ... 
Configurational temperature in constrained systems: The case of spin dynamics
Gutiérrez Gallardo, Gonzalo; Davis, Sergio; Palma, Guillermo (Institute of Physics Publishing, 2018)© 2018 IOP Publishing Ltd. A general mathematical expression to estimate the temperature in computer simulations of constrained systems is obtained. Using a recently derived theorem which relates the ensemble average of ... 
Dynamic properties of a classical anisotropic Heisenberg chain under external magnetic field
Davis, Sergio; Gutiérrez Gallardo, Gonzalo (ELSEVIER SCIENCE BV, 20050131)We investigate the dynamic properties of a classical anisotropic Heisenberg chain interacting with an external magnetic field at different temperatures. Properties such as timedependent energy autocorrelation and spacetime ... 
Dynamics of a rotating particle under a timedependent potential: exact quantum solution from the classical action
Laroze, David; Gutiérrez Gallardo, Gonzalo; Rivera, Rodrigo; Yáñez, Julio M (IOP PUBLISHING LTD, 20080702)The classical action for a threedimensional rotating particle with timedependent angular velocity and that submitted to a general linear and quadratic timedependent potential is explicitly calculated and, via path ... 
Effect of mutation at the interface of Trprepressor dimeric protein: a steered molecular dynamics simulation
Miño Galaz, Germán; Báez, Mauricio; Gutiérrez Gallardo, Gonzalo (2013)The strength of key interfacial contacts that stabilize protein–protein interactions have been studied by computer simulation. Experimentally, changes in the interface are evaluated by generating specific mutations ... 
Elastic properties of the bcc structure of bismuth at high pressure
Gutiérrez Gallardo, Gonzalo; Menéndez Proupin, Eduardo; Singh, Anil K. (AMER INST PHYSICS, 20060515)Firstprinciples calculations of the singlecrystal elastic constants of the bodycentered cubic phase of bismuth are carried out in the pressure range of 31191 GPa. The calculations are performed in the framework of ... 
Enhancement of mechanical properties of metallic glass nanolaminates via martensitic transformation: atomistic deformation mechanism
Amigo, Nicolás; Sepúlveda Macías, Matías; Gutiérrez Gallardo, Gonzalo (Elsevier, 2019)Metallic glasses with embedded crystalline phases have been experimentally reported to exhibit enhanced mechanical properties. To further explore this observation, we employed molecular dynamics simulations to study ... 
Hydrogen bonds and asymmetrical heat diffusion in alphahelices. A computational analysis
Miño Galaz, Germán; Gutiérrez Gallardo, Gonzalo (Elsevier, 2015)In this work, we report the heat rectifying capability of ahelices. Using molecular dynamics simulations we show an increased thermal diffusivity in the CTerminal to NTerminal direction of propagation. The origin of ... 
Hydrogen bonds and heat diffusion in α‑helices: a computational study
Miño, Germán; Barriga, Raúl; Gutiérrez Gallardo, Gonzalo (American Chemical Society, 2014)Recent evidence has shown a correlation between the heat diffusion pathways and the known allosteric communication pathways in proteins. Allosteric communication in proteins is a central, yet unsolved, problem in ... 
Martensitic transformation to monoclinic phase in bulk B2–CuZr
Amigo, Nicolás; Sepúlveda Macías, Matías; Gutiérrez Gallardo, Gonzalo (Elsevier, 2017)Shape memory alloys, like B2–CuZr, are a class of materials that have the ability to recover their original shape when subjected to specific thermomechanical conditions. In this work, we carry out molecular dynamics ... 
A maximum entropy model for opinions in social groups
Davis, Sergio; Navarrete, Yasmín; Gutiérrez Gallardo, Gonzalo (SpringerVerlag, 2014)We study how the opinions of a group of individuals determine their spatial distribution and connectivity, through an agentbased model. The interaction between agents is described by a Hamiltonian in which agents are ... 
A maximum entropy model for opinions in social groups
Davis, Sergio; Navarrete, Yasmín; Gutiérrez Gallardo, Gonzalo (Springer, 2014)We study how the opinions of a group of individuals determine their spatial distribution and connectivity, through an agentbased model. The interaction between agents is described by a Hamiltonian in which agents are ... 
Mechanical properties of irradiated nanowires  A molecular dynamics study
Figueroa, Emilio; Tramontina, Diego; Gutiérrez Gallardo, Gonzalo; Bringa, Eduardo (Elsevier, 2015)In this work we study, by means of molecular dynamics simulation, the change in the mechanical properties of a gold nanowire with preexisting radiation damage. The gold nanowire is used as a simple model for a nanofoam, ... 
Melting curve of SiO2 at multimegabar pressures: implications for gas giants and superEarths
González Cataldo, Felipe; Davis, Sergio; Gutiérrez Gallardo, Gonzalo (Nature, 2016)Ultrahighpressure phase boundary between solid and liquid SiO2 is still quite unclear. Here we present predictions of silica melting curve for the multimegabar pressure regime, as obtained from first principles molecular ... 
Newtonian Dynamics from the Principle of Maximum Caliber
González, Diego; Davis Irarrázabal, Sergio Michael; Gutiérrez Gallardo, Gonzalo (Springer Science+Business Media, 2014)The foundations of Statistical Mechanics can be recovered almost in their entirety from the principle of maximum entropy. In this work we show that its nonequilibrium generalization, the principle of maximum caliber ... 
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, 20100626)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 ...