Search results for "Monte Carlo method."
showing 10 items of 1217 documents
Structural properties ofSi1−xGexalloys: A Monte Carlo simulation with the Stillinger-Weber potential
1995
The structural properties of binary silicon-germanium alloys are investigated by means of large-scale constant-pressure Monte Carlo simulations of the Stillinger-Weber model. At low temperatures, the binary-mixture phase separates into Si-rich and Ge-rich phases. The two-phase coexistence region is terminated by a critical point that belongs to the mean-field universality class. We also studied the structural properties of pure Si and Ge as well as the binary mixture. In particular, we found that the linear thermal expansions for both Si and Ge are in agreement with experiments, and that V\'egard's law is valid at temperatures above the critical point. Finally, we compare the bond-length an…
Monte Carlo Simulations of Body Centered Cubic Alloys
1994
We illustrate the use of Monte Carlo simulations in the study of order-disorder phenomena in metallic alloys by presenting detailed work on a fairly realistic lattice model for iron aluminum. The model has been constructed based on recent measurements of effective interaction parameters and includes a description of the magnetism of iron within a Heisenberg Hamiltonian. We show that it reproduces the bulk phase diagram in a qualitatively correct way. Then internal antiphase boundaries and free surfaces in the (100)-direction are studied. An interfacial roughening transition is predicted as well as critical broadening of the profiles as the bulk approaches a second order transition. Nonstoec…
RANDOM SEQUENTIAL ADSORPTION ON A LINEAR LATTICE: EFFECT OF DIFFUSIONAL RELAXATION
1992
In this paper, the authors offer phenomenological arguments, supported by numerical Monte Carlo data, suggesting that the asymptotic large-time behavior of the coverage in the 1D lattice deposition of k-mers with k {gt} 3, accompanied by k-mer diffusion, is governed by the same mean-field dynamics as the lattice chemical reaction kA {yields} inert. The latter reaction is considered to occur with partial probability. The coverage in the deposition process approaches full saturation for any nonzero diffusion rate, and the void fraction decreases according to the power-law t{sup {minus}1/(k{minus}1)}.
Probing predictions due to the nonlocal interface Hamiltonian: Monte Carlo simulations of interfacial fluctuations in Ising films
2019
Extensive Monte Carlo simulations have been performed on an Ising ferromagnet under conditions that would lead to complete wetting in a semi-infinite system. We studied an L×L×D slab geometry with oppositely directed surface fields so that a single interface is formed and can undergo a localization-delocalization transition. Under the chosen conditions the interface position is, on average, in the middle of the slab, and its fluctuations allow a sensitive test of predictions that the effective interactions between the interface and the confining surfaces are nonlocal. The decay of distance dependent correlation functions are measured within the surface, in the middle of the slab, and betwee…
Primary thermometry with nanoscale tunnel junctions
1995
We have found current-voltage (I-V) and conductance (dI/dV) characteristics of arrays of nanoscale tunnel junctions between normal metal electrodes to exhibit suitable features for primary thermometry. The current through a uniform array depends on the ratio of the thermal energy kBT and the electrostatic charging energy E c of the islands between the junctions and is completely blocked by Coulomb repulsion at T = 0 and at small voltages eV/2 ≤ Ec. In the opposite limit, kBT ≫ Ec, the width of the conductance minimum scales linearly and universally with T and N, the number of tunnel junctions, and qualifies as a primary thermometer. The zero bias drop in the conductance is proportional to T…
Glass transition of binary mixtures of dipolar particles in two dimensions
2010
We study the glass transition of binary mixtures of dipolar particles in two dimensions within the framework of mode-coupling theory, focusing in particular on the influence of composition changes. In a first step, we demonstrate that the experimental system of K\"onig et al. [Eur. Phys. J. E 18, 287 (2005)] is well described by point dipoles through a comparison between the experimental partial structure factors and those from our Monte Carlo simulation. For such a mixture of point particles we show that there is always a plasticization effect, i.e. a stabilization of the liquid state due to mixing, in contrast to binary hard disks. We demonstrate that the predicted plasticization effect i…
Exact solution of ‘‘hot dimer’’ adsorption in one-dimensional lattices
1993
An analytical solution for the kinetics of the ``hot-dimer'' adsorption in a one-dimensional lattice is reported. Hot dimers are molecules that dissociate after deposition, and each of the remaining monomers fly apart up to a maximum distance R from the original adsorption sites. The kinetics of this process is strongly dependent on the flying distance R. We find a particular behavior of the jamming coverage as a function of R. Monte Carlo simulation results are in agreement with such a calculation.
Influence of the simultaneous calibration of multiple ring dosimeters on the individual absorbed dose
2021
Abstract Ring dosimeters for personal dosimetry are calibrated in accredited laboratories following ISO 4037-3 guidelines. The simultaneous irradiation of multiple dosimeters would save time, but has to be carefully studied, since the scattering conditions could change and influence the absorbed dose in nearby dosimeters. Monte Carlo simulations using PENELOPE-2014 were performed to explore the need to increase the uncertainty of H p 0 .07 in the simultaneous irradiation of three and five DXT-RAD 707H-2 (Thermo Scientific) ring dosimeters with beam qualities: N-30, N-80 and N-300. Results show that the absorbed dose in each dosimeter is compatible with each of the others and with the refere…
Design and evaluation of a HDR skin applicator with flattening filter
2008
The purposes of this study are: (i) to design field flattening filters for the Leipzig applicators of 2 and 3 cm of inner diameter with the source traveling parallel to the applicator contact surface, which are accessories of the microSelectron-HDR afterloader (Nucletron, Veenendaal, The Netherlands). These filters, made of tungsten, aim to flatten the heterogeneous dose distribution obtained with the Leipzig applicators. (ii) To estimate the dose rate distributions for these Leipzig+filter applicators by means of the Monte Carlo (MC) method. (iii) To experimentally verify these distributions for prototypes of these new applicators, and (iv) to obtain the correspondence factors to measure t…
Nanodroplets on a solid plane: wetting and spreading in a Monte Carlo simulation
2002
Abstract The wetting behavior and spreading dynamics of small polymer melt droplets in the course of transition from partial to complete wetting conditions on a flat structureless solid substrate have been studied by dynamic Monte Carlo simulation. From the density profiles of the drops we determine the contact angles at varying strength of the van der Waals surface forces in the whole interval of partial wetting. The validity of Young's equation is then tested whereby the surface tension of the melt/vapor interface is derived independently from interfacial fluctuation analysis, and the surface free energy of the melt at the substrate—from the anisotropy of the local pressure at the wall. T…