Search results for "Microscopic theory"
showing 10 items of 19 documents
Microscopic theory of colloid formation in solids under irradiation
1996
Results of the first-principles study of diffusion-controlled aggregation of Frenkel defects-interstitial atoms-under irradiation of solids are presented. Conditions of the efficient radiation-induced aggregation of vacancies and interstitials are studied and the scenario of this process is presented.
Microscopic theory for the light-induced anomalous Hall effect in graphene
2019
We employ a quantum Liouville equation with relaxation to model the recently observed anomalous Hall effect in graphene irradiated by an ultrafast pulse of circularly polarized light. In the weak-field regime, we demonstrate that the Hall effect originates from an asymmetric population of photocarriers in the Dirac bands. By contrast, in the strong-field regime, the system is driven into a non-equilibrium steady state that is well-described by topologically non-trivial Floquet-Bloch bands. Here, the anomalous Hall current originates from the combination of a population imbalance in these dressed bands together with a smaller anomalous velocity contribution arising from their Berry curvature…
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.
A consistent microscopic theory of collective motion in the framework of an ATDHF approach
1978
Based on merely two assumptions, namely the existence of a collective Hamiltonian and that the collective motion evolves along Slater determinants, we first derive a set of adiabatic time-dependent Hartree-Fock equations (ATDHF) which determine the collective path, the mass and the potential, second give a unique procedure for quantizing the resulting classical collective Hamiltonian, and third explain how to use the collective wavefunctions, which are eigenstates of the quantized Hamiltonian.
Acceleration radiation and the Planck scale
2008
A uniformly accelerating observer perceives the Minkowski vacuum state as a thermal bath of radiation. We point out that this field-theory effect can be derived, for any dimension higher than two, without actually invoking very high energy physics. This supports the view that this phenomenon is robust against Planck-scale physics and, therefore, should be compatible with any underlying microscopic theory.
Glass transition in confined geometry.
2010
Extending mode-coupling theory, we elaborate a microscopic theory for the glass transition of liquids confined between two parallel flat hard walls. The theory contains the standard MCT equations in bulk and in two dimensions as limiting cases and requires as input solely the equilibrium density profile and the structure factors of the fluid in confinement. We evaluate the phase diagram as a function of the distance of the plates for the case of a hard sphere fluid and obtain an oscillatory behavior of the glass transtion line as a result of the structural changes related to layering.
Slow dynamics in ion-conducting sodium silicate melts: Simulation and mode-coupling theory
2005
A combination of molecular-dynamics (MD) computer simulation and mode-coupling theory (MCT) is used to elucidate the structure-dynamics relation in sodium-silicate melts (NSx) of varying sodium concentration. Using only the partial static structure factors from the MD as an input, MCT reproduces the large separation in relaxation time scales of the sodium and the silicon/oxygen components. This confirms the idea of sodium diffusion channels which are reflected by a prepeak in the static structure factors around 0.95 A^-1, and shows that it is possible to explain the fast sodium-ion dynamics peculiar to these mixtures using a microscopic theory.
Mode-coupling theory of the glass transition for confined fluids
2012
We present a detailed derivation of a microscopic theory for the glass transition of a liquid enclosed between two parallel walls relying on a mode-coupling approximation. This geometry lacks translational invariance perpendicular to the walls, which implies that the density profile and the density-density correlation function depends explicitly on the distances to the walls. We discuss the residual symmetry properties in slab geometry and introduce a symmetry adapted complete set of two-point correlation functions. Since the currents naturally split into components parallel and perpendicular to the walls the mathematical structure of the theory differs from the established mode-coupling eq…
The kinetics of F-center aggregation under irradiation: many-particle effects in ionic solids
1994
The accumulation kinetics of primary Frenkel defects created in solids under permanent irradiation is calculated using the microscopic formalism of many-particle densities. It is based on the Kirkwood superposition approximation for three-particle densities as described in our previous paper p. N. Kuzovkov and E. A. Kotomin, Physica Scripta 47, 585 (1993)l. This formalism is generalized in this paper by incorporating the elastic attraction between similar defects (called in ionic solids F-centers) which causes their efficient aggregation. It is shown that the aggregation process starts only if the dose rate and elastic attraction energy exceed certain critical values; it also happpens in th…
Discrete-lattice theory for Frenkel-defect aggregation in irradiated ionic solids
1998
Institut fu ¨r Physikalische und Theoretische Chemie, Technische Universitat Braunschweig, D-38106 Braunschweig, Germany~Received 11 September 1997; revised manuscript received 6 April 1998!A microscopic theory of diffusion-controlled aggregation of radiation Frenkel defects—called in ionic solidsH and F centers—is presented. This is based on a discrete-lattice formalism for the single defect densities~concentrations! and the coupled joint densities of similar and dissimilar defects treated in terms of a modifiedKirkwood superposition approximation. The kinetics of defect aggregation is studied in detail; the cooperativecharacter of this process for both types of complementary defects is sho…