The mass of the electron neutrino: Monte Carlo studies of SN 1987A observations

Monte Carlo simulations of a wide class of possible neutrino emission models are used to assign statistical significance to the limits set on the mass of the electron neutrino by observations of SN 1987A. Using the combined Kamiokande II and IMB data sets, we reject neutrino masses greater than 16 eV at the 5% significance level.     

Optimized convergence for multiple histogram analysis

We propose a new algorithm for solving the weighted histogram analysis method (WHAM) equations to estimate free energies out of a set of Monte Carlo (MC) or molecular dynamics (MD) simulations. The algorithm, based on free-energy differences, provides a more natural way of approaching the problem and improves convergence compared to the widely used direct iteration method. We also study how parameters (temperature, pressure, etc.) of the independent simulations should be chosen to optimize the accuracy of the set of free energies.     

Characterization of nanoporous carbons by combining CO2 and H2 sorption data with the Monte Carlo simulations

The Monte Carlo method in its grand ensemble variant (GCMC) is used in combination with experimental data in order to characterize microporous carbons and obtain the optimal pore size distribution (PSD). In particular, the method is applied in the case of AX-21 carbon. Adsorption isotherms of CO₂ (253 and 298 K) and H₂ (77 K) up to 20 bar have been measured, while the computed isotherms resulted from the GCMC simulations for several pore widths up to 3.0 nm. For the case of H₂ at 77 K quantum corrections were introduced with the application of the Feynman-Hibbs (FH) effective potential. The adsorption isotherms were used either individually or in a combined manner in order to deduce PSDs and their reliability was examined by the ability to predict the experimental adsorption isotherms. The combined approach was found to be capable of reproducing more accurately all the available experimental isotherms.     

Dependence of the magnetization on the interface morphology in ultra-thin magnetic/non-magnetic films: Monte Carlo approach

Using Monte Carlo simulations, we have studied the dependence of magnetic properties on interface morphology in magnetic/non-magnetic (M/NM) multilayers. Our aim is to relate macroscopic magnetic properties of the multilayers to their concentration profile at the interface. Our model consists of an alternate staking of magnetic and non-magnetic layers with disordered interfaces. We have considered different concentration and the existence of local magnetic domains at the interface. The results indicate the crucial dependence of magnetization amplitude with interface multilayers atomic composition and the spatial arrangement of magnetic atoms. In particular, we show that isolated islands at the interface leads to the apparition of super-paramagnetic behavior.     

Equilibrium magnetic properties of dipolar interacting ferromagnetic nanoparticles

We use Monte Carlo simulations to study the influence of dipolar interaction on the equilibrium magnetic properties of monodisperse single-domain ferromagnetic nanoparticles. Low field magnetizations simulated in zero field cooling (ZFC)/field cooling (FC) procedures and field-dependent magnetization curves above the blocking temperatures show strong dependence on the concentration and the spatial arrangement (cubic or random) of the magnetic particles. The field-dependent magnetizations can not be simply described by the T^* model at relative low temperatures due to the interplay between anisotropy and dipolar interactions, as well as the spatial arrangement effect.     

A model for like sign dimuons-detailed analysis

A detailed account of a model for like sign dimuons, recently proposed by us, is presented and compared with all the like sign dimuon data available. It can naturally account for the rate and all the kinematic features of these events, as given by the CHARM, CFRR and CFNRR experiments. The predicted event distributions are shown for the CHARM experiment, since it has sufficient number of events for a meaningful comparison. The implication of the model for other processes like neutrino induced trimuons and charm hadroproduction are also discussed.     

Differences between fixed time step and kinetic Monte Carlo methods for biased diffusion

We consider biased diffusion in a one-dimensional lattice and compare results obtained with fixed time step and kinetic Monte Carlo methods. Spurious dispersion and particle position correlation appear with the fixed time step Monte Carlo approach. The mentioned correlation increases with time. We demonstrate that the correct results, that correspond to a time step that tends to zero, are obtained using the kinetic Monte Carlo method. The conclusions also apply to biased diffusion in two or more dimensions and to random deposition.     

Dielectric constant of porous ultra low-k dielectrics by fractal-Monte Carlo simulations

The effective dielectric constant of porous ultra low-k dielectrics is simulated by applying the fractal geometry and Monte Carlo technique in this work. Based on the fractal character of pore size distribution in porous media, the probability models for pore diameter and for effective dielectric constant are derived. The proposed model for the effective dielectric constant is expressed as a function of the dielectric coefficient of base medium and the volume fractions of pores and base medium, fractal dimension for pores, the pore size, as well as random number. The Monte Carlo simulations combined with the fractal geometry are performed. The predictions by the present simulations are shown in good accord with the available experimental data. The proposed technique may have the potential in analyzing other properties such as electrical conductivity and thermal conductivity in porous ultra low-k dielectrics.     

Neutron- and muon-induced background in underground physics experiments

Background induced by neutrons in deep underground laboratories is a critical issue for all experiments looking for rare events, such as dark matter interactions or neutrinoless ββ decay. Neutrons can be produced either by natural radioactivity, via spontaneous fission or (α, n) reactions, or by interactions initiated by high-energy cosmic rays. In all underground experiments, Monte Carlo simulations of neutron background play a crucial role for the evaluation of the total background rate and for the optimization of rejection strategies. The Monte Carlo methods that are commonly employed to evaluate neutron-induced background and to optimize the experimental setup, are reviewed and discussed. Focus is given to the issue of reliability of Monte Carlo background estimates. We dedicate this work to the memory of our friend and colleague Nicola Ferrari, who prematurely passed away in July 2006.     

First measurements of inclusive muon neutrino charged current differential cross sections on argon

The ArgoNeuT Collaboration presents the first measurements of inclusive muon neutrino charged current differential cross sections on argon. Obtained in the NuMI neutrino beam line at Fermilab, the flux-integrated results are reported in terms of outgoing muon angle and momentum. The data are consistent with the Monte Carlo expectation across the full range of kinematics sampled, 0°<θ(μ)<36° and 0相似文献   

Grand canonical Monte Carlo simulations of hydrogen adsorption in carbon cones

The Monte Carlo method in its grand ensemble variant (GCMC) is used in order to study the hydrogen adsorption (77 K) characteristics of novel carbon structures, namely Carbon Cones (CCs). CCs are conical shaped curved graphitic sheets, with five different apex angles. CC structures with correct bonding topology were developed via atomistic-molecular simulations, while GCMC simulations of hydrogen adsorption were carried out on the five different apex angle structures. Emphasis has been given on the adsorption properties inside the cones and it was found that cone tips are characterized by enhanced adsorbability. The results were also compared with similar calculations on carbon nanotubes.     

Ep≤63 GeV 质子入射铅、铋引起的中子产生双微分截面的模拟(英文)

加速器驱动次临界系统(ADS) 液态Pb-Bi 散裂靶的设计中,需要可靠的理论计算工具精确地预言几个GeV 能量范围的质子引起的散裂反应产生的各种粒子和核素。利用蒙特卡罗模拟软件包Geant4 计算研究了800 MeV至3 GeV 质子入射铅、铋材料引起的中子产生双微分截面。比较了Geant4 不同物理模型得到的模拟结果与现有的实验数据。其中,Geant4 的QGSP BERT和QGSP INCL ABLA 物理模型模拟结果很好地再现了实验数据。本工作证实了Geant4 蒙特卡罗模拟软件包适合用于能量高达3 GeV 的质子入射铅、铋引起的中子产生双微分截面的模拟计算。A detailed design of the liquid Pb-Bi spallation target of the Accelerator Driven Systems (ADS) requires powerful and reliable computational tools that can accurately predict particles and nuclides production by the proton induced spallation reactions in the energy range of a few GeV. In this paper, the neutron production double-differential cross sections for Pb and Bi target materials at incident proton kinetic energies between 800 MeV and 3 GeV are studied by calculations with Monte Carlo simulation package Geant4. The simulated results of Geant4 with several physics models are compared with available experimental data. The simulated results generated by QGSP BERT and QGSP INCL ABLA physics models of Geant4 well reproduce the available experimental data. The present results validated that Geant4 Monte Carlo simulation package is suitable for simulations of neutron production double-differential cross sections of proton induced reaction on Pb and Bi targets in the incident energy range up to 3 GeV.     

Simulation of the transport of sputtered atoms and effects of processing conditions

Sputter deposition is a complex process; it is obvious that the energy and direction of the particles arriving at the substrate is in close relation with the transport process from the target to the substrate, it is desirable to model this transport of atoms through the background gas. The transport of sputtered Ag atoms during sputter deposition through the gas phase in the facing targets sputtering system studied by Monte Carlo simulation is presented. The model calculates the flux of the atoms arriving at the substrate, their energy, direction and number of collisions they underwent. The dependence of the deposition rates of Ag atoms on the gas pressure and the distance between the targets and substrate were investigated.     

Monte Carlo simulation of hydrogen physisorption in K-doped single walled carbon nanotube array

Properties of hydrogen physisorption in K-doped single walled carbon nanotube array (SWCNTA) are investigated in detail by grand canonical Monte Carlo simulation. The optimization of hydrogen storage capacity at 293 K and 10 MPa as a function of K-doping schemes, K atoms’ doped-sites, and SWCNTA configuration is discussed.     

Adsorption in cylindrical pores: Mixed lattice-site/off-site Monte Carlo simulations in pores with heterogeneous wall structure

We present results of grand canonical Monte Carlo simulations of adsorption in cylindrical pores with rough surface modeled by lattice-site approach. Each site is characterized by two parameters: structural and energetic, which locally modify the structure and energy properties of the surface. There are three types of sites, randomly distributed over the wall: attractive, neutral and repulsive with respect to the smooth pore model. The results presented here show how this model affects the mechanism of adsorption and how it changes the forms of adsorption isotherm. We compare our numerical results with the experimental data of adsorption of a simple fluid (CH₄, T = 77 K) in cylindrical silica pore of diameter d = 4 nm (MCM-41 material).     

Charmonia production in hadron colliders and the extraction of colour-octet matrix elements

We present the results of our analysis on charmonia (J/ψ andψ′) hadroproduction taking into account higher-order QCD effects induced by initial-state radiation in a Monte Carlo framework, with the colour-octet mechanism implemented in the event generation. We find that those colour-octet matrix elements extracted so far from Fermilab Tevatron data for both J/ψ and ψ′ production have to be lowered significantly. We finally make predictions for charmonia production at the LHC, presenting a simple code for a fast simulation with PYTHIA based on the colour-octet model.     

Exchange bias and asymmetric hysteresis loops from a microscopic model of core/shell nanoparticles

We present Monte Carlo simulations of hysteresis loops of a model of a magnetic nanoparticle with a ferromagnetic core and an antiferromagnetic shell with varying values of the core/shell interface exchange coupling which aim to clarify the microscopic origin of exchange bias observed experimentally. We have found loop shifts in the field direction as well as displacements along the magnetization axis that increase in magnitude when increasing the interfacial exchange coupling. Overlap functions computed from the spin configurations along the loops have been obtained to explain the origin and magnitude of these features microscopically.     

Benchmark measurements and simulations of dose perturbations due to metallic spheres in proton beams

Monte Carlo simulations are increasingly used for dose calculations in proton therapy due to its inherent accuracy. However, dosimetric deviations have been found using Monte Carlo code when high density materials are present in the proton beamline. The purpose of this work was to quantify the magnitude of dose perturbation caused by metal objects. We did this by comparing measurements and Monte Carlo predictions of dose perturbations caused by the presence of small metal spheres in several clinical proton therapy beams as functions of proton beam range and drift space. Monte Carlo codes MCNPX, GEANT4 and Fast Dose Calculator (FDC) were used. Generally good agreement was found between measurements and Monte Carlo predictions, with the average difference within 5% and maximum difference within 17%. The modification of multiple Coulomb scattering model in MCNPX code yielded improvement in accuracy and provided the best overall agreement with measurements. Our results confirmed that Monte Carlo codes are well suited for predicting multiple Coulomb scattering in proton therapy beams when short drift spaces are involved.     

Understanding the instrumental profile of synchrotron radiation X‐ray powder diffraction beamlines

A Monte Carlo algorithm has been developed to calculate the instrumental profile function of a powder diffraction synchrotron beamline. Realistic models of all optical elements are implemented in a ray‐tracing software. The proposed approach and the emerging paradigm have been investigated and verified for several existing X‐ray powder diffraction beamlines. The results, which can be extended to further facilities, show a new and general way of assessing the contribution of instrumental broadening to synchrotron radiation data, based on ab initio simulations.     

Monte Carlo study of the step flow to island nucleation transition for close packed structures

Using joined super-lattice Kinetic Monte Carlo and continuous simulations we study the transition between step flow and two-dimensional island nucleation growth on stepped surfaces for close packed crystalline structures. The numerical analysis is performed in terms of misorientation cut, deposition rate and temperature. We compare the results of the atomistic approach with the predictions of the standard and generalized Burton-Cabrera-Frank (BCF) continuous model. The generalization consists in the explicit inclusion in the theory of the formation and dissolution of mobile dimers on the terraces. We show that the BCF-like continuous theories break down for low temperatures, large off-angle cuts and high deposition rates. In view of these results we critically discuss the basic assumptions of the continuous models.