Search results for "theory and models [Science communication]"

showing 2 items of 2 documents

Nanoscale oxide growth on Al single crystals at low temperatures: Variable charge molecular dynamics simulations

2006

We investigate the oxidation of aluminum low-index surfaces [(100), (110), and (111)] at low temperatures (300-600 K) and three different gas pressure values. We use molecular dynamics (MD) simulations with dynamic charge transfer between atoms where the interaction between atoms is described by the Es+ potential composed of the embedded atom method (EAM) potential and an electrostatic contribution. In the considered temperature range and under different gas pressure conditions, the growth kinetics follow a direct logarithmic law where the oxide thickness is limited to a value of ∼3 nm. The fitted curves allow us to determine the temperature and the pressure dependencies of the parameters i…

Materials scienceOxide02 engineering and technology01 natural sciences7. Clean energyDissociation (chemistry)chemistry.chemical_compoundMolecular dynamics[ CHIM.CRIS ] Chemical Sciences/Cristallography0103 physical sciencesAtomOxidation[CHIM.CRIS]Chemical Sciences/CristallographyTheory and models of film growthMolecule010306 general physicsComputational modelingAtmospheric temperature range021001 nanoscience & nanotechnologyCondensed Matter PhysicsElectronic Optical and Magnetic MaterialsOctahedronchemistryTetrahedronAtomic physics0210 nano-technologySimulation
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Size effect in phase transition kinetics

1988

The growth of a spontaneous lattice average magnetization in a magnetic system which is suddenly brought below the transition temperature is a stochastic process in which the very small fluctuations of the initial magnetization are amplified to a macroscopic size. The initial magnetization fluctuates in time around the zero average value because of the finite size of the system. As a consequence of the fluctuation-amplification phenomenon the nonlinear relaxation of the finite system is qualitatively different from that of the infinite one. The present paper studies this feature of phase-transition kinetics in the framework of a very simple model: the dynamical generalization of the spheric…

PhysicsPhase transition kineticsCondensed matter physicsStochastic processtheory and models of magnetic ordering; magnetic phase transitions; relaxation phenomena in magnetic systemsTransition temperatureKineticsmagnetic phase transitionsSpherical modelNonlinear systemMagnetizationLattice (order)Statistical physicstheory and models of magnetic orderingrelaxation phenomena in magnetic systems
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