Search results for " Monte Carlo"
showing 10 items of 400 documents
Recent Developments in Monte-Carlo Simulations of First-Order Phase Transitions
1994
In the past few years considerable progress has been made in Monte Carlo simulations of first-order phase transitions and in the analysis of the resulting finite-size data. In this paper special emphasis will be placed on multicanonical simulations using multigrid update techniques, on numerical estimates of interface tensions, and on accurate methods for determining the transition point and latent heat.
SU-FF-T-15: Comparison of Various Monte Carlo Codes for Brachytherapy Source Dosimetry
2009
Purpose: Monte Carlo simulations are used for dosimetric evaluation of brachytherapysources. Various investigators had demonstrated good agreement between the measured and simulated data while some others have shown discrepancies between the two methods. These discrepancies were attributed to the errors in cross section data, differences in phantom and source geometry and composition. However, the exact causes of these differences have not yet fully explored. The goal of this project is to verify the differences among the widely available Monte Carlo codes for brachytherapysourcedosimetry.Material and method: These investigations are based on VariSource 192 Ir , Model VS2000, IsoAid Advanta…
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.
Electronic momentum distribution in the one-dimensional extended Hubbard model: determinantal Monte Carlo study
2002
Abstract The effect of electron–electron (e–e) interaction on trans -polyacetylene ( t -PA) properties is investigated within the framework of an extended Hubbard model in one dimension. For numerical calculation, we use the determinantal version of quantum Monte Carlo approach, which provides a breakthrough to simulate statistical fluctuations in the systems with many degrees of freedom, in order to obtain mean values for observables of physical interest. This allows one to analyze the discrete system of fermions without encountering the numerical instabilities that generally occur from the original problem involving anticommuting fermion operators. We calculate the electronic momentum dis…
High-quality variational wave functions for small4Heclusters
1999
We report a variational calculation of ground state energies and radii of ${}^{4}{\mathrm{He}}_{N}$ droplets $(3l~Nl~40),$ using the Aziz HFD-B (HE) atom-atom interaction. The trial wave function has a simple structure, combining two- and three-body correlation functions coming from a translationally invariant configuration-interaction description, and Jastrow-type short-range correlations. The calculated ground state energies differ by around 2% from the diffusion Monte Carlo results.
Dynamics of star polymers in a good solvent: A Kramers potential treatment
1994
The ‘‘effective’’ relaxation time τ of isolated star polymers with excluded volume interactions in the Rouse model limit (i.e., disregarding hydrodynamic interactions present in real solvents) is studied varying both the number of arms f and the number of monomers per arm l. Here τ is defined from the response of the gyration radius of the star polymer to a Kramers potential that describes the effect of shear flow in lowest order in the shear rate. Monte Carlo simulations are performed with two different techniques (simple sampling with enrichment or dynamic Monte Carlo, respectively) for two different models (simple self‐avoiding walks with an extended core or the bond fluctuation model, r…
Monte Carlo simulation of crystalline polyethylene
1996
Abstract We consider here the problem of constructing an efficient algorithm for a classical Monte Carlo simulation of crystalline polyethylene with unconstrained bond lengths and angles. This macromolecular crystal presents a particular example of a system with many different energy scales, ranging from soft ones represented by nonbonded van der Waals interactions, to stiff ones, represented in particular by bond stretching. A proper sampling of all the energy scales poses a problem and it is shown that a standard Metropolis algorithm employing just local moves is not very efficient at low temperatures. As a solution it is proposed to employ also global moves consisting of displacements of…
Chain length dependence of the state diagram of a single stiff-chain macromolecule: Theory and Monte Carlo simulation
2003
We present a Monte Carlo computer simulation and theoretical results for the dependence of the state diagram of a single semiflexible chain on the chain length. The calculated transition lines between different structures in the state diagrams for both studied chain lengths N=40 and N=80 can be described by theoretical predictions which include chain length dependence explicitly. The stability criteria of different structures are discussed. The theoretically predicted exponent in the dependence of the toroid size on the chain length is compatible with computer simulation results.
Nonperturbative Determination of the QCD Potential atO(1/m)
2006
The relativistic correction to the QCD static interquark potential at O(1/m) is investigated nonperturbatively for the first time by using lattice Monte Carlo QCD simulations. The correction is found to be comparable with the Coulombic term of the static potential when applied to charmonium, and amounts to one-fourth of the Coulombic term for bottomonium.
Diffraction of neutral helium clusters: evidence for "magic numbers".
2004
The size distributions of neutral 4He clusters in cryogenic jet beams, analyzed by diffraction from a 100 nm period transmission grating, reveal magic numbers at N=10-11, 14, 22, 26-27, and 44 atoms. Whereas magic numbers in nuclei and clusters are attributed to enhanced stabilities, this is not expected for quantum fluid He clusters on the basis of numerous calculations. These magic numbers occur at threshold sizes for which the quantized excitations calculated with the diffusion Monte Carlo method are stabilized, thereby providing the first experimental confirmation for the energy levels of 4He clusters.