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Dynamic Monte Carlo method
About: Dynamic Monte Carlo method is a research topic. Over the lifetime, 13294 publications have been published within this topic receiving 371256 citations.
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TL;DR: It is shown how the blocking temperature obtained in the simulations can be converted into the corresponding experimentally measurable blocking temperature by using this difference in the observation times, a new method to compare Monte Carlo simulation results with experiments, such as recent ones on fcc Co particles.
Abstract: We develop and carry out Monte Carlo simulations for an ensemble of superparamagnetic particles uniformly distributed in a nonmagnetic matrix. We find the magnetization below the blocking temperature TB when it shows hysteresis and above TB in the superparamagnetic region. We determine the blocking temperature for a set of anisotropy strengths from the magnetization and the susceptibility of the particles. A fixed number of Monte Carlo steps with a constrained acceptance rate is shown to be equivalent to an observation time in the simulations that is much shorter than experimental observation times. We show how the blocking temperature obtained in the simulations can be converted into the corresponding experimentally measurable blocking temperature by using this difference in the observation times. This provides a new method to compare Monte Carlo simulation results with experiments, such as recent ones on fcc Co particles.
81 citations
TL;DR: It is found that confinement-driven stabilization is not only dependent on protein size and cage radius, but also on the specific topology, and the choice of the confining potential is shown to have an effect on the observed stabilization and the scaling behavior of the stabilization with respect to the cage size.
81 citations
TL;DR: The molecular simulations show a good agreement between the experimental and calculated surface tensions for the water-methanol and water-propanol mixtures, and good agreement with experiments is established through the comparison of the excess surface tensions.
Abstract: Monte Carlo simulations are reported to predict the dependence of the surface tension of water-alcohol mixtures on the alcohol concentration. Alcohols are modeled using the anisotropic united atom model recently extended to alcohol molecules. The molecular simulations show a good agreement between the experimental and calculated surface tensions for the water-methanol and water-propanol mixtures. This good agreement with experiments is also established through the comparison of the excess surface tensions. A molecular description of the mixture in terms of density profiles and hydrogen bond profiles is used to interpret the decrease of the surface tension with the alcohol concentration and alcohol chain length.
81 citations
TL;DR: In this paper, the utility of deterministic nonstationary models of charge transport in GaAs is studied, including energy and momentum conserving, energy conserving and electron-temperature formulations.
Abstract: A study of the utility of deterministic nonstationary models of charge transport in GaAs is presented. The models considered include energy and momentum conserving, energy conserving, and electron-temperature formulations. Predictions of the models are compared with results calculated using a more detailed Monte Carlo-based scattering-process-level simulation. The basis of the comparison is calculated trajectories in velocity-energy-field space for a range of time-dependent electric field forcing functions. All the nonstationary transport models considered are found to be in reasonable agreement with Monte Carlo results for all but the most extreme circumstances considered and to be greatly superior to the drift-diffusion approximation. Strengths, weaknesses, and applicability of individual models are discussed. >
80 citations
TL;DR: In this article, a Monte Carlo procedure for studying polymer chains in concentrated solution or in the melt is described and the dependence of the rms end-to-end distance on chain length for chains on a simple cubic three-dimensional lattice with every lattice site filled.
Abstract: A Monte Carlo procedure for studying polymer chains in concentrated solution or in the melt is described. The procedure generates new configurations by breaking and reforming chains. The procedure is used to examine the dependence of the rms end‐to‐end distance on chain length for chains on a simple cubic three‐dimensional lattice with every lattice site filled. Chains with as many as 512 segments were examined. The rms end‐to‐end distance is proportional to (N−1)ν for N the number of polymer segments and for ν in the range 0.51–0.52, rather than the expected value of 1/2. However, the data seem to indicate a continuing decrease of ν with increasing N so the value 1/2 cannot yet be ruled out.
80 citations