Search results for "Mean field theory"
showing 10 items of 174 documents
Nucleon localization function in rotating nuclei
2020
Background: An electron localization function was originally introduced to visualize bond structures in molecules. It became a useful tool to describe electron configurations in atoms, molecules and solids. In nuclear physics, a nucleon localization function (NLF) has been used to characterize clusters in light nuclei, fragment formation in fission and pasta phases in the inner crust of neutron stars. Purpose: We use the NLF to study the nuclear response to fast rotation. Methods: We generalize the NLF to the case of nuclear rotation. The extended expressions involve both time-even and time-odd local densities. Since current density and density gradient contribute to the NLF primarily at th…
Quantum Effects and Phase Transitions in Adsorbed Molecular Layers
1998
Phase transitions in adsorbed (two dimensional) fluids and in adsorbed layers of molecules are studied with a combination of path integral Monte Carlo (PIMC), Gibbs ensemble Monte Carlo (GEMC) and finite size scaling techniques. Entropy driven phase transitions in systems with purely repulsive interactions are analyzed as well phase diagrams of fluids with internal quantum states. Adsorbed layers of H 2 molecules at a full monolayer coverage in the \(\sqrt 3 \times \sqrt 3 \) structure have a higher transition temperature to the disordered phase compared to the system with the heavier D 2 molecules, this effect is analyzed by PIMC. Linear N 2 molecules adsorbed on graphite show a transition…
Monte Carlo Simulation of Alloy Phase Diagrams and Short-Range Order
1986
As a prototype model for order-disorder phenomena in binary alloys, a face-centered cubic lattice is considered,the sites of which can be taken by either A-atoms or B-atoms, assuming pair-wise interactions between nearest (J) and next nearest neighbours (J). The phase diagram is constructed from Monte Carlo calculations. Some technical aspects essential for the success of such calculations are briefly mentioned (use of grand-canonical rather than canonical ensemble, how to obtain the free energy needed to locate first-order phase transitions, etc.). It is shown that the topology of the phase diagram changes when the ratio R = Jnnn/Jnn is varied, and this behaviour is discussed in the contex…
Isotropic-nematic interface in suspensions of hard rods: Mean-field properties and capillary waves
2006
We present a study of the isotropic-nematic interface in a system of hard spherocylinders. First we compare results from Monte Carlo simulations and Onsager density functional theory for the interfacial profiles of the orientational order parameter and the density. Those interfacial properties that are not affected by capillary waves are in good agreement, despite the fact that Onsager theory overestimates the coexistence densities. Then we show results of a Monte Carlo study of the capillary waves of the interface. In agreement with recent theoretical investigations (Eur.Phys.J. E {\bf 18} 407 (2005)) we find a strongly anistropic capillary wave spectrum. For the wave-numbers accessed in o…
PHASE EQUILIBRIA IN THIN POLYMER FILMS
2001
Within self-consistent field theory and Monte Carlo simulations the phase behavior of a symmetrical binary AB polymer blend confined into a thin film is studied. The film surfaces interact with the monomers via short ranged potentials. One surface attracts the A component and the corresponding semi-infinite system exhibits a first order wetting transition. The surface interaction of the opposite surface is varied as to study the crossover from capillary condensation for symmetric surface fields to interface localization/delocalization transition for antisymmetric surface fields. In the former case the phase diagram has a single critical point close to the bulk critical point. In the latter…
Weakly Interacting Bose-Einstein Condensates under Rotation: Mean-Field versus Exact Solutions
2000
We consider a weakly-interacting, harmonically-trapped Bose-Einstein condensed gas under rotation and investigate the connection between the energies obtained from mean-field calculations and from exact diagonalizations in a subspace of degenerate states. From the latter we derive an approximation scheme valid in the thermodynamic limit of many particles. Mean-field results are shown to emerge as the correct leading-order approximation to exact calculations in the same subspace.
Néel Transition of Lattice Fermions in a Harmonic Trap: A Real-Space Dynamic Mean-Field Study
2010
We study the magnetic ordering transition for a system of harmonically trapped ultracold fermions with repulsive interactions in a cubic optical lattice, within a real-space extension of dynamical mean-field theory. Using a quantum Monte Carlo impurity solver, we establish that antiferromagnetic correlations are signaled, at strong coupling, by an enhanced double occupancy. This signature is directly accessible experimentally and should be observable well above the critical temperature for long-range order. Dimensional aspects appear less relevant than naively expected.
Efficiency of quantum Monte Carlo impurity solvers for dynamical mean-field theory
2007
Since the inception of the dynamical mean-field theory, numerous numerical studies have relied on the Hirsch-Fye quantum Monte Carlo (HF-QMC) method for solving the associated impurity problem. Recently developed continuous-time algorithms (CT-QMC) avoid the Trotter discretization error and allow for faster configuration updates, which makes them candidates for replacing HF-QMC. We demonstrate, however, that a state-of-the-art implementation of HF-QMC (with extrapolation of discretization delta_tau -> 0) is competitive with CT-QMC. A quantitative analysis of Trotter errors in HF-QMC estimates and of appropriate delta_tau values is included.
Quasiparticle Mean Field: BCS and Beyond
2007
In the previous two chapters we have laid the foundation for the BCS theory to describe open-shell nuclei. The properties of BCS solutions were compared with exact results from schematic solvable models. In this chapter we go into the details of numerical solution of the BCS equations. The implications of these solutions are discussed through applications to ds- and pf-shell nuclei.
Pairing in a three-component Fermi gas
2006
We consider pairing in a three-component gas of degenerate fermions. In particular, we solve the finite temperature mean-field theory of an interacting gas for a system where both interaction strengths and fermion masses can be unequal. At zero temperature we find a a possibility of a quantum phase transition between states associated with pairing between different pairs of fermions. On the other hand, finite temperature behavior of the three-component system reveals some qualitative differences from the two-component gas: for a range of parameters it is possible to have two different critical temperatures. The lower one corresponds to a transition between different pairing channels, while …