Search results for "monte carlo simulations"
showing 7 items of 37 documents
Pattern-recognising Polymer Adsorption on Structured Surfaces: Gaussian Polymers vs. Freely Jointed Chains
2014
Abstract Selective adsorption of homopolymers is exploited as a model for pattern recognition. To this end the strong adsorption regime of Gaussian polymers adsorbed on a regularly structured surface is investigated for square and triangular lattices within a discrete Edwards model. The equilibrium behaviour of the specific heat, the gyration tensor and the (nematic) bond order tensor are analysed and compared to the properties for adsorbed freely jointed polymer chains.
GPU accelerated Monte Carlo simulations of lattice spin models
2011
We consider Monte Carlo simulations of classical spin models of statistical mechanics using the massively parallel architecture provided by graphics processing units (GPUs). We discuss simulations of models with discrete and continuous variables, and using an array of algorithms ranging from single-spin flip Metropolis updates over cluster algorithms to multicanonical and Wang-Landau techniques to judge the scope and limitations of GPU accelerated computation in this field. For most simulations discussed, we find significant speed-ups by two to three orders of magnitude as compared to single-threaded CPU implementations.
B–T phase diagram of Pd/Fe/Ir(111) computed with parallel tempering Monte Carlo
2017
We use an atomistic spin model derived from density functional theory calculations for the ultra-thin film Pd/Fe/Ir(111) to show that temperature induces coexisting non-zero skyrmion and antiskyrmion densities. We apply the parallel tempering Monte Carlo method in order to reliably compute thermodynamical quantities and the B-T phase diagram in the presence of frustrated exchange interactions. We evaluate the critical temperatures using the topological susceptibility. We show that the critical temperatures depend on the magnetic field in contrast to previous work. In total, we identify five phases: spin spiral, skyrmion lattice, ferromagnetic phase, intermediate region with finite topologic…
Performance Enhancement of a Small Animal Positron Emission Tomograph based on Continuous Crystals and Silicon Photomultipliers
2017
La tomografía por emisión de positrones (PET, por sus siglas en inglés) es una técnica de Medicina Nuclear que permite obtener de manera no invasiva imágenes funcionales “in vivo” marcando un compuesto orgánico con un emisor de positrones. Los tomógrafos PET requieren un alta resolución espacial y sensibilidad para estimar con precisión la distribución del radiotrazador en el animal. Frente a los bloques pixelados comúnmente utilizados en PET, los detectores que consisten en la combinación de cristales continuos acoplados a fotodetectores segmentados pueden ofrecer una mayor eficiencia y una alta resolución espacial. Esta última depende de la precisión de los algoritmos de determinación de …
Characterization of a cylindrical plastic β-detector with Monte Carlo simulations of optical photons
2017
In this work we report on the Monte Carlo study performed to understand and reproduce experimental measurements of a new plastic β-detector with cylindrical geometry. Since energy deposition simulations differ from the experimental measurements for such a geometry, we show how the simulation of production and transport of optical photons does allow one to obtain the shapes of the experimental spectra. Moreover, taking into account the computational effort associated with this kind of simulation, we develop a method to convert the simulations of energy deposited into light collected, depending only on the interaction point in the detector. This method represents a useful solution when extens…
A study of Type B uncertainties associated with the photoelectric effect in low-energy Monte Carlo simulations
2021
The goal of this manuscript is to estimate Type B uncertainties in absorbed-dose calculations arising from the different implementations in current state-of-the-art Monte Carlo codes of low-energy photon cross-sections (<200 keV). Monte Carlo simulations are carried out using three codes widely used in the low-energy domain: PENELOPE-2018, EGSnrc, and MCNP. Mass energy-absorption coefficients for water, air, graphite, and their respective ratios; absorbed dose; and photon-fluence spectra are considered. Benchmark simulations using similar cross-sections have been performed. The differences observed between these quantities when different cross-sections are considered are taken to be a go…
Calcium mediated polyelectrolyte adsorption on like-charged surfaces.
2011
International audience; Monte Carlo simulations within the primitive model of calcium-mediated adsorption of linear and comb polyelectrolytes onto like-charged surfaces are described, focusing on the effect of calcium and polyion concentrations as well as on the ion pairing between polymers and calcium ions. We use a combination of Monte Carlo simulations and experimental data from titration and calcium binding to quantify the ion pairing. The polymer adsorption is shown to occur as a result of surface overcharging by Ca2+ and ion pairing between charged monomers and Ca2+. In agreement with experimental observations, the simulations predict that the polymer adsorption isotherm goes through …