Search results for "Diffusion"
showing 10 items of 1615 documents
Diffusion of neutrons by a slab of moderating material: an application of the Monte Carlo Method
2004
An application of the Monte Carlo method to the diffusion of neutrons passing through a slab of a moderating material is presented. This method can be used as a tool to improve the student's comprehension of the statistical properties of many particle systems, showing the necessity of simulation procedures to obtain information on the expected results of real experiments. We have chosen a very simple example to illustrate it: the evaluation of the transmission, reflection and absorption probabilities of a monochromatic beam of neutrons diffusing through a slab of a moderator material. After a collision with a nucleus of the moderator the neutron may be either elastically scattered or captur…
Interplay of order-disorder phenomena and diffusion in rigid binary alloys in the presence of vacancies: Monte Carlo simulations
2006
Transport phenomena are studied for a binary $(AB)$ alloy on a rigid square lattice with nearest-neighbor attraction between unlike particles, assuming a small concentration ${c}_{v}$ of vacancies $V$ being present, to which $A$ $(B)$ particles can jump with rates ${\ensuremath{\Gamma}}_{A}$ $({\ensuremath{\Gamma}}_{B})$ in the case where the nearest-neighbor attractive energy ${ϵ}_{AB}$ is negligible in comparison with the thermal energy ${k}_{B}T$ in the system. This model exhibits a continuous order-disorder transition for concentrations ${c}_{A},{c}_{B}=1\ensuremath{-}{c}_{A}\ensuremath{-}{c}_{V}$ in the range ${c}_{A,1}^{\mathit{crit}}\ensuremath{\leqslant}{c}_{A}\ensuremath{\leqslant}…
Adatom dynamics and diffusion in a model of O/W(110)
1998
We consider adatom dynamics and diffusion in a lattice-gas model of the O/W(110) system under conditions where the adatom interaction effects are important. In particular, we study the behavior of the tracer and collective diffusion coefficients as a function of temperature when crossing over from the high-temperature disordered phase to a low-temperature symmetry broken phase. To this end, we utilize a combined analytical and numerical approach based on the recently developed dynamical mean field theory (DMF) in addition to conventional Monte Carlo simulations. In the case studied here, the origin of the strong temperature dependence of the effective activation barrier ${E}_{A}^{D}$ close …
Monte Carlo studies of adsorbed monolayers: Lattice-gas models with translational degrees of freedom
1998
Standard lattice-gas models for the description of the phase behavior of adsorbed monolayers are generalized to ``elastic lattice gases'' which allow for translational degrees of freedom of the adsorbate atoms but have the substrate lattice structure built into the adsorbate-adsorbate interaction. For such models, we derive a simple and efficient grand-canonical Monte Carlo algorithm, which treats the occupied and empty sites in precisely the same way. Using this method, we calculate the phase diagram of a simple model for the adsorption of hydrogen on palladium (100); this model includes only pairwise interactions and exhibits an ordered $c(2\ifmmode\times\else\texttimes\fi{}2)$ structure.…
A theory for long-memory in supply and demand
2004
Recent empirical studies have demonstrated long-memory in the signs of orders to buy or sell in financial markets [2, 19]. We show how this can be caused by delays in market clearing. Under the common practice of order splitting, large orders are broken up into pieces and executed incrementally. If the size of such large orders is power law distributed, this gives rise to power law decaying autocorrelations in the signs of executed orders. More specifically, we show that if the cumulative distribution of large orders of volume v is proportional to v to the power -alpha and the size of executed orders is constant, the autocorrelation of order signs as a function of the lag tau is asymptotica…
Dynamics of Polymer Chains Confined in Slit-Like Pores
1996
Monte Carlo simulations of an off-lattice bead spring model of polymer chains are presented, confining the chains between two repulsive parallel planes a distance D apart. Varying the chain length N from N = 16 to N = 128, we show that under good solvent conditions the chains behave like two-dimensional self-avoiding walks, their mean square gyration radius scales as (R g 2 ) N 2v with v = 3/4. The density profile across the slit is independent of N and maximal in the center of the slit. The dynamical properties of the chains are found to be in full agreement with the Rouse model with excluded volume in d = 2 dimensions, the relaxation times vary like τ N Z with z = 2v +1 = 5/2, the diffusi…
Spin Currents injected electrically and thermally from highly spin polarized Co$_2$MnSi
2015
We demonstrate the injection and detection of electrically and thermally generated spin currents probed in Co$_2$MnSi/Cu lateral spin valves. Devices with different electrode separations are patterned to measure the non-local signal as a function of the electrode spacing and we determine a relatively high effective spin polarization $\alpha$ of Co$_2$MnSi to be 0.63 and the spin diffusion length of Cu to be 500 nm at room temperature. The electrically generated non-local signal is measured as a function of temperature and a maximum signal is observed for a temperature of 80 K. The thermally generated non-local signal is measured as a function of current density and temperature in a second h…
A diffusion Monte Carlo study of small para-Hydrogen clusters
2007
Abstract An improved Monte Carlo diffusion model is used to calculate the ground state energies and chemical potentials of parahydrogen clusters of three to forty molecules, using two different p-H2-p-H2 interactions. The improvement is due to three-body correlations in the importance sampling, to the time step adjustment and to a better estimation of statistical errors. In contrast to path-integral Monte Carlo results, this method predicts no magic clusters other than that with thirteen molecules.
EnCurv: Simple Technique of Maintaining Global Membrane Curvature in Molecular Dynamics Simulations.
2021
The EnCurv method for maintaining membrane curvature in molecular dynamics simulations is introduced. The method allows maintaining any desired curvature in a sector of lipid membrane bent in a single plane without adding any unphysical interactions into the system and without restrictions on lateral and transversal lipid diffusion and distribution. The current implementation is limited to the membranes curved in a single plane but generalization to arbitrary curvature and membrane topology is possible. The method is simple, easy to implement, and scales linearly with the system size. EnCurv is agnostic to the force field, simulation parameters, and membrane composition. The proof of princi…
N/Z effects on40,48Ca+40,48Ca reactions at 25 MeV/nucleon
2012
Effects related to the neutron to proton ratio (N/Z) degree of freedom in 40, 48Ca+40, 48Ca reactions at 25 MeV/nucleon have been investigated. Isotopic effect and even-odd staggering characterize the emission of light fragments at forward angles. The study of isobaric ratio 7Li/7Be for quasi-projectile source in semi-peripheral event of reactions allows moreover to investigate isospin diffusion effects in heavy ion collisions. © Owned by the authors, 2012.