Search results for "Diffusion"

The Langevin Equation

2009

The effective diffusion coefficient in a one-dimensional discrete lattice with the inclusions

2015

Abstract The expression for the effective diffusion coefficient in one-dimensional discrete lattice model of random walks in matrix with inclusions and unequal hopping lengths is derived. This allowed us to suggest a physical interpretation to the concentration jump – ad hoc parameter commonly used in extended effective medium theory for accounting particle partial reflection on the boundary matrix–inclusion. The analytical results obtained are in excellent agreement with computer simulations.

Spin projected unrestricted Hartree-Fock ground states for harmonic quantum dots

2008

We report results for the ground state energies and wave functions obtained by projecting spatially unrestricted Hartree Fock states to eigenstates of the total spin and the angular momentum for harmonic quantum dots with $N\leq 12$ interacting electrons including a magnetic field states with the correct spatial and spin symmetries have lower energies than those obtained by the unrestricted method. The chemical potential as a function of a perpendicular magnetic field is obtained. Signature of an intrinsic spin blockade effect is found.

Role of spin diffusion in current-induced domain wall motion for disordered ferromagnets

2015

Current-induced spin transfer torque and magnetization dynamics in the presence of spin diffusion in disordered magnetic textures is studied theoretically. We demonstrate using tight-binding calculations that weak, spinconserving impurity scattering dramatically enhances the nonadiabaticity. To further explore this mechanism, a phenomenological drift-diffusion model for incoherent spin transport is investigated. We show that incoherent spin diffusion indeed produces an additional spatially dependent torque of the form ∼∇ 2 [m × (u · ∇)m] + ξ ∇ 2 [(u · ∇)m], where m is the local magnetization direction, u is the direction of injected current, and ξ is a parameter characterizing the spin dyna…

Single-File Diffusion of Colloids in One-Dimensional Channels

2004

We study the diffusive behavior of colloidal particles which are confined to one-dimensional channels generated by scanning optical tweezers. At long times t, the mean-square displacement is found to scale as t(1/2), which is expected for systems where single-file diffusion occurs. In addition, we experimentally obtain the long-time, self-diffusive behavior from the short-time collective density fluctuations of the system as suggested by a recent analytical approach [Phys. Rev. Lett. 90, 180602 (2003)]. published

Stability chart of small mixed4He−3Heclusters

2003

A stability chart of mixed ${}^{4}\mathrm{He}$ and ${}^{3}\mathrm{He}$ clusters has been obtained by means of the diffusion Monte Carlo method, using both the Aziz HFD-B and the Tang-Toennies-Yiu atom-atom interaction. The investigated clusters contain up to eight ${}^{4}\mathrm{He}$ atoms and up to 20 ${}^{3}\mathrm{He}$ atoms. One single ${}^{4}\mathrm{He}$ binds 20 ${}^{3}\mathrm{He}$ atoms, and two ${}^{4}\mathrm{He}$ bind 1, 2, 8, and more than 14 ${}^{3}\mathrm{He}$ atoms. All clusters with three or more ${}^{4}\mathrm{He}$ atoms are bound, although the combinations ${}^{4}{\mathrm{He}}_{3}^{3}{\mathrm{He}}_{9,10,11}$ and ${}^{4}{\mathrm{He}}_{4}^{3}{\mathrm{He}}_{9}$ are metastable. …

Diffusion between evolving interfaces

2010

Diffusion in an evolving environment is studied by continuos-time Monte Carlo simulations. Diffusion is modelled by continuos-time random walkers on a lattice, in a dynamic environment provided by bubbles between two one-dimensional interfaces driven symmetrically towards each other. For one-dimensional random walkers constrained by the interfaces, the bubble size distribution domi- nates diffusion. For two-dimensional random walkers, it is also controlled by the topography and dynamics of the interfaces. The results of the one-dimensional case are recovered in the limit where the interfaces are strongly driven. Even with simple hard-core repulsion between the interfaces and the particles, …

Dynamics of a Supercooled Lennard-Jones System: Qualitative and Quantitative Tests of Mode-Coupling Theory

1997

Using a molecular dynamics computer simulation we investigate the dynamics of a supercooled binary Lennard-Jones mixture. At low temperatures this dynamics can be described very well by the ideal version of mode-coupling theory. In particular we find that at low temperatures the diffusion constants show a power-law behavior, that the intermediate scattering functions obey the time temperature superposition principle, and that the various relaxation times show a power-law behavior. By solving the wave-vector dependent mode-coupling equations we demonstrate that the prediction of the theory for the wave-vector dependence of the nonergodicity parameters and the r-dependence of the critical amp…

Scaling behavior in the $\beta$-relaxation regime of a supercooled Lennard-Jones mixture

1994

We report the results of a molecular dynamics simulation of a supercooled binary Lennard-Jones mixture. By plotting the self intermediate scattering functions vs. rescaled time, we find a master curve in the $\beta$-relaxation regime. This master curve can be fitted well by a power-law for almost three decades in rescaled time and the scaling time, or relaxation time, has a power-law dependence on temperature. Thus the predictions of mode-coupling-theory on the existence of a von Schweidler law are found to hold for this system; moreover, the exponents in these two power-laws are very close to satisfying the exponent relationship predicted by the mode-coupling-theory. At low temperatures, t…

Multiscale Computer Simulations in Physics, Chemistry, and Biology: The Example Of Silica

2002

We show to what extent molecular dynamics simulations (MD) can explore struc-tural and dynamic properties of atomic systems whereby the system under consideration is amorphous silica (SiO2). Two studies are presented: (i) a large scale simulation of the dynam-ics of a SiO2 melt and (ii) the investigation of free silica surfaces where a mixture of a classical MD and a Car-Parrinello molecular dynamics is used.