Search results for "Kirkwood approximation"

showing 3 items of 3 documents

The microscopic theory of diffusion-controlled defect aggregation

1998

Abstract The kinetics of diffusion-controlled aggregation of primary Frenkel defects ( F and H centers) in irradiated CaF 2 crystals is theoretically studied. Microscopic theory is based on the discrete-lattice formalism for the single defect densities (concentrations) and the coupled joint densities of similar and dissimilar defects treated in terms of the Kirkwood superposition approximation. Conditions and dynamics of the efficient F center aggregation during crystal heating after irradiation are analyzed.

General Computer ScienceF-CenterChemistryKineticsGeneral Physics and AstronomyGeneral ChemistryMolecular physicsCrystalComputational MathematicsFormalism (philosophy of mathematics)Mechanics of MaterialsKirkwood approximationPhysical chemistryGeneral Materials ScienceIrradiationMicroscopic theoryAgrégationComputational Materials Science
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The kinetics of defect aggregation: A novel lattice formalism

1995

We introduce a stochastic model for the A + B → O reaction on a discrete lattice. The system may include mono- and bimolecular steps (i. e. reaction and diffusion steps). The resulting infinite chain of equations is truncated at a certain level via a modified Kirkwood approximation.

Nuclear and High Energy PhysicsRadiationChemistryStochastic modellingKineticsThermodynamicsCondensed Matter PhysicsCrystallographic defectFormalism (philosophy of mathematics)Lattice (order)Kirkwood approximationMaster equationGeneral Materials ScienceStatistical physicsAgrégationRadiation Effects and Defects in Solids
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Effect of reactant spatial distribution in theA+B→0reaction kinetics in one dimension with Coulomb interaction

1996

The effect of nonequilibrium charge screening in the kinetics of the one-dimensional, diffusion-controlled $A+B\ensuremath{\rightarrow}0$ reaction between charged reactants in solids and liquids is studied. The incorrectness of the static, Debye-H\"uckel theory is shown. Our microscopic formalism is based on the Kirkwood superposition approximation for three-particle densities and the self-consistent treatment of the electrostatic interactions defined by the nonuniform spatial distribution of similar and dissimilar reactants treated in terms of the relevant joint correlation functions. Special attention is paid to the pattern formation due to a reaction-induced non-Poissonian fluctuation sp…

PhysicsMesoscopic physicsmedia_common.quotation_subjectKirkwood approximationCoulombThermodynamicsNon-equilibrium thermodynamicsAtomic physicsElectrostaticsFluctuation spectrumAsymmetryCritical exponentmedia_commonPhysical Review E
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