A dynamic method for charging-up calculations: the case of GEM

International Nuclear Information System (INIS)

Correia, P M M; Oliveira, C A B; Azevedo, C D R; Silva, A L M; Veloso, J F C A; Veenhof, R; Nemallapudi, M Varun

2014-01-01

The simulation of Micro Pattern Gaseous Detectors (MPGDs) signal response is an important and powerful tool for the design and optimization of such detectors. However, several attempts to exactly simulate the effective gas gain have not been completely successful. Namely, the gain stability over time has not been fully understood. Charging-up of the insulator surfaces have been pointed as one of the responsible for the difference between experimental and Monte Carlo results. This work describes two iterative methods to simulate the charging-up in one MPGD device, the Gas Electron Multiplier (GEM). The first method, which uses a constant step size for avalanches time evolution, is very detailed but slow to compute. The second method instead uses a dynamic step-size that improves the computing time. Good agreement between both methods was achieved. Comparison with experimental results shows that charging-up plays an important role in detectors operation, explaining the time evolution of the gain. However it doesn't seem to be the only responsible for the difference between measurements and Monte Carlo simulations

Modeling of Electric Field Around 100 MVA 150/20 kV Power Transformator using Charge Simulation Method

Directory of Open Access Journals (Sweden)

Noviadi Arief Rachman

2013-07-01

Full Text Available Charge Simulation Method is one of the field theory that can be used as an approach to calculate the electromagnetic distribution on the electrical conductor. This paper discussed electric field modeling around power transformator by using Matlab to find the safety distance. The safe distance threshold of the electric field to human health refers to WHO and SNI was 5 kV/m. The specification of the power transformator was three phases, 150/20 kV, and 100 MVA. The basic concept is to change the distribution charge on the conductor or dielectric polarization charge with a set of discrete fictitious charge. The value of discrete fictitious charge was equivalent to the potential value of the conductor, and became a reference to calculate the electric field around the surface contour of the selected power transformator. The measurement distance was 5 meter on each side of the transformator surface. The results showed that the magnitude of the electric field at the front side was 5541 V/m, exceeding the safety limits.

Track-structure simulations for charged particles.

Science.gov (United States)

Dingfelder, Michael

2012-11-01

Monte Carlo track-structure simulations provide a detailed and accurate picture of radiation transport of charged particles through condensed matter of biological interest. Liquid water serves as a surrogate for soft tissue and is used in most Monte Carlo track-structure codes. Basic theories of radiation transport and track-structure simulations are discussed and differences compared to condensed history codes highlighted. Interaction cross sections for electrons, protons, alpha particles, and light and heavy ions are required input data for track-structure simulations. Different calculation methods, including the plane-wave Born approximation, the dielectric theory, and semi-empirical approaches are presented using liquid water as a target. Low-energy electron transport and light ion transport are discussed as areas of special interest.

DART: A simulation code for charged particle beams

International Nuclear Information System (INIS)

White, R.C.; Barr, W.L.; Moir, R.W.

1989-01-01

This paper presents a recently modified version of the 2-D code, DART, which can simulate the behavior of a beam of charged particles whose trajectories are determined by electric and magnetic fields. This code was originally used to design laboratory-scale and full-scale beam direct converters. Since then, its utility has been expanded to allow more general applications. The simulation includes space charge, secondary electrons, and the ionization of neutral gas. A beam can contain up to nine superimposed beamlets of different energy and species. The calculation of energy conversion efficiency and the method of specifying the electrode geometry are described. Basic procedures for using the code are given, and sample input and output fields are shown. 7 refs., 18 figs

Improved local lattice Monte Carlo simulation for charged systems

Science.gov (United States)

Jiang, Jian; Wang, Zhen-Gang

2018-03-01

Maggs and Rossetto [Phys. Rev. Lett. 88, 196402 (2002)] proposed a local lattice Monte Carlo algorithm for simulating charged systems based on Gauss's law, which scales with the particle number N as O(N). This method includes two degrees of freedom: the configuration of the mobile charged particles and the electric field. In this work, we consider two important issues in the implementation of the method, the acceptance rate of configurational change (particle move) and the ergodicity in the phase space sampled by the electric field. We propose a simple method to improve the acceptance rate of particle moves based on the superposition principle for electric field. Furthermore, we introduce an additional updating step for the field, named "open-circuit update," to ensure that the system is fully ergodic under periodic boundary conditions. We apply this improved local Monte Carlo simulation to an electrolyte solution confined between two low dielectric plates. The results show excellent agreement with previous theoretical work.

Charge-transport simulations in organic semiconductors

Energy Technology Data Exchange (ETDEWEB)

May, Falk

2012-07-06

In this thesis we have extended the methods for microscopic charge-transport simulations for organic semiconductors, where weak intermolecular interactions lead to spatially localized charge carriers, and the charge transport occurs as an activated hopping process between diabatic states. In addition to weak electronic couplings between these states, different electrostatic environments in the organic material lead to a broadening of the density of states for the charge energies which limits carrier mobilities. The contributions to the method development include (i) the derivation of a bimolecular charge-transfer rate, (ii) the efficient evaluation of intermolecular (outer-sphere) reorganization energies, (iii) the investigation of effects of conformational disorder on intramolecular reorganization energies or internal site energies and (iv) the inclusion of self-consistent polarization interactions for calculation of charge energies. These methods were applied to study charge transport in amorphous phases of small molecules used in the emission layer of organic light emitting diodes (OLED). When bulky substituents are attached to an aromatic core in order to adjust energy levels or prevent crystallization, a small amount of delocalization of the frontier orbital to the substituents can increase electronic couplings between neighboring molecules. This leads to improved charge-transfer rates and, hence, larger charge-mobility. We therefore suggest using the mesomeric effect (as opposed to the inductive effect) when attaching substituents to aromatic cores, which is necessary for example in deep blue OLEDs, where the energy levels of a host molecule have to be adjusted to those of the emitter. Furthermore, the energy landscape for charges in an amorphous phase cannot be predicted by mesoscopic models because they approximate the realistic morphology by a lattice and represent molecular charge distributions in a multipole expansion. The microscopic approach shows that

Modeling of Electric Field Around 100 MVA 150/20 KV Power Transformator Using Charge Simulation Method

OpenAIRE

Rachman, Noviadi Arief; Risdiyanto, Agus; Ramdan, Ade

2013-01-01

Charge Simulation Method is one of the field theory that can be used as an approach to calculate the electromagnetic distribution on the electrical conductor. This paper discussed electric field modeling around power transformator by using Matlab to find the safety distance. The safe distance threshold of the electric field to human health refers to WHO and SNI was 5 kV/m. The specification of the power transformator was three phases, 150/20 kV, and 100 MVA. The basic concept is to change the...

Transport of Cryptosporidium parvum Oocysts in Charge Heterogeneous Porous Media: Microfluidics Experiment and Numerical Simulation

Science.gov (United States)

Liu, Y.; Meng, X.; Guo, Z.; Zhang, C.; Nguyen, T. H.; Hu, D.; Ji, J.; Yang, X.

2017-12-01

Colloidal attachment on charge heterogeneous grains has significant environmental implications for transport of hazardous colloids, such as pathogens, in the aquifer, where iron, manganese, and aluminium oxide minerals are the major source of surface charge heterogeneity of the aquifer grains. A patchwise surface charge model is often used to describe the surface charge heterogeneity of the grains. In the patchwise model, the colloidal attachment efficiency is linearly correlated with the fraction of the favorable patches (θ=λ(θf - θu)+θu). However, our previous microfluidic study showed that the attachment efficiency of oocysts of Cryptosporidium parvum, a waterborne protozoan parasite, was not linear correlated with the fraction of the favorable patches (λ). In this study, we developed a pore scale model to simulate colloidal transport and attachment on charge heterogeneous grains. The flow field was simulated using the LBM method and colloidal transport and attachment were simulated using the Lagrange particle tracking method. The pore scale model was calibrated with experimental results of colloidal and oocyst transport in microfluidic devices and was then used to simulate oocyst transport in charge heterogeneous porous media under a variety of environmental relative conditions, i.e. the fraction of favorable patchwise, ionic strength, and pH. The results of the pore scale simulations were used to evaluate the effect of surface charge heterogeneity on upscaling of oocyst transport from pore to continuum scale and to develop an applicable correlation between colloidal attachment efficiency and the fraction of the favorable patches.

Simulation of photon and charge transport in X-ray imaging semiconductor sensors

CERN Document Server

Nilsson, H E; Hjelm, M; Bertilsson, K

2002-01-01

A fully stochastic model for the imaging properties of X-ray silicon pixel detectors is presented. Both integrating and photon counting configurations have been considered, as well as scintillator-coated structures. The model is based on three levels of Monte Carlo simulations; photon transport and absorption using MCNP, full band Monte Carlo simulation of charge transport and system level Monte Carlo simulation of the imaging performance of the detector system. In the case of scintillator-coated detectors, the light scattering in the detector layers has been simulated using a Monte Carlo method. The image resolution was found to be much lower in scintillator-coated systems due to large light spread in thick scintillator layers. A comparison between integrating and photon counting readout methods shows that the image resolution can be slightly enhanced using a photon-counting readout. In addition, the proposed model has been used to study charge-sharing effects on the energy resolution in photon counting dete...

Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

Science.gov (United States)

Ge, Zhenpeng; Wang, Yi

2017-04-20

Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

Numerical simulation of heavy ion charge generation and collection dynamics

International Nuclear Information System (INIS)

Dussault, H.; Howard, J.W. Jr.; Block, R.C.; Stapor, W.J.; Knudson, A.R.

1993-01-01

This paper describes a complete simulation approach to investigating the physics of heavy-ion charge generation and collection during a single event transient in a PN diode. The simulations explore the effects of different ion track models, applied biases, background dopings, and LET on the transient responses of a PN diode. The simulation results show that ion track structure and charge collection via diffusion-dominated processes play important roles in determining device transient responses. The simulations show no evidence of rapid charge collection in excess of that deposited in the device depletion region in typical funneling time frames (i.e., by time to peak current or in less than 500 ps). Further, the simulations clearly show that the device transient responses are not simple functions of the ion's incident LET. The simulation results imply that future studies and experiments should consider the effects of ion track structure in addition to LET and extend transient charge collection times to insure that reported charge collection efficiencies include diffusion-dominated collection processes

Analyzing heavy-ion-induced charge collection in Si devices by three-dimensional simulation

International Nuclear Information System (INIS)

Dodd, P.E.

1994-01-01

Properties of charge collection in Si devices in response to single-ion bombardment have been studied using transient three-dimensional drift-diffusion simulation. In unloaded Si diodes, the funnel effect is particularly strong in lightly-doped materials for high-density strikes such as 100 MeV Fe, and essentially all charge collection is by funnel-assisted drift. This drift collection may occur at time scales as late as several nanoseconds, much later than is traditionally associated with drift. For more heavily-doped materials or lower-density strikes, such as 5-MeV α-particles, drift and diffusion play more equal roles. In epitaxial structures the funnel is truncated by the heavily-doped substrate, collapses quickly, and a great deal of charge is collected at late times by diffusion. Charge collection in Si circuitry is influenced by the circuit external to the struck device. Loading effects on charge collection were studied using passive external circuit elements as well as by mixed-mode simulation, which allows modeling of active external circuitry. Simulations indicate that the funnel can be significantly affected by the inclusion of passive loads, while active loads may prevent any direct charge collection by funneling. Finally, the use of three-dimensional device simulators is presented as a method of analyzing results obtained from focused ion microbeam experiments

Nonlinear delta f Simulations of Collective Effects in Intense Charged Particle Beams

CERN Document Server

Hong Qi

2003-01-01

A nonlinear delta(f) particle simulation method based on the Vlasov-Maxwell equations has been recently developed to study collective processes in high-intensity beams, where space-charge and magnetic self-field effects play a critical role in determining the nonlinear beam dynamics. Implemented in the Beam Equilibrium, Stability and Transport (BEST) code [H. Qin, R.C. Davidson, and W.W. Lee, Physical Review -- Special Topics on Accelerator and Beams 3 (2000) 084401; 3 (2000) 109901.], the nonlinear delta(f) method provides a low-noise and self-consistent tool for simulating collective interactions and nonlinear dynamics of high-intensity beams in modern and next-generation accelerators and storage rings, such as the Spallation Neutron Source and heavy ion fusion drivers. A wide range of linear eigenmodes of high-intensity charged-particle beams can be systematically studied using the BEST code. Simulation results for the electron-proton two-stream instability in the Proton Storage Ring experiment [R. Macek, ...

Simulation of neutron transport process, photons and charged particles within the Monte Carlo method

International Nuclear Information System (INIS)

Androsenko, A.A.; Androsenko, P.A.; Artamonov, S.N.; Bolonkina, G.V.; Lomtev, V.L.; Pupko, S.V.

1991-01-01

Description is given to the program system BRAND designed for the accurate solution of non-stationary transport equation of neutrons, photons and charged particles in the conditions of real three-dimensional geometry. An extensive set of local and non-local estimates provides an opportunity of calculating a great set of linear functionals normally being of interest in the calculation of reactors, radiation protection and experiment simulation. The process of particle interaction with substance is simulated on the basis of individual non-group data on each isotope of the composition. 24 refs

Charge transport in organic light-emitting diodes. Experiments and simulations

Energy Technology Data Exchange (ETDEWEB)

Schober, Matthias

2012-11-01

This thesis is about the development and validation of a numerical model for the simulation of the current-voltage characteristics of organic thin-film devices. The focus is on the analysis of a white organic light-emitting diode (OLED) with fluorescent blue and phosphorescent red and green emitters. The simulation model describes the charge transport as a one-dimensional drift-diffusion current and is developed on the basis of the Scharfetter-Gummel method. It incorporates modern theories for the charge transport in disordered organic materials, which are considered by means of special functions for the diffusion coefficient and the charge-carrier mobility. The algorithm is designed such that it can switch between different models for mobility and calculates both transient and steady-state solutions. In the analysis of the OLED, electron and hole transport are investigated separately in series of single-carrier devices. These test devices incorporate parts of the layers in the OLED between symmetrically arranged injection layers that are electrically doped. Thereby, the OLED layer sequence is reconstructed step by step. The analysis of the test devices allows to obtain the numerous parameters which are required for the simulation of the complete OLED and reveals many interesting features of the OLED. For instance, it is shown how the accumulation of charge carriers in front of an interface barrier increases the mobility and the transfer rate across the interface. Furthermore, it is demonstrated how to identify charge-trapping states. This leads to the detection of deep trap states in the emission zone of the OLED -- an interesting aspect, since these states can function as recombination centers and may cause non-radiative losses. Moreover, various other effects such as interface dipoles and a slight freeze-out of active electric dopants in the injection layers are observed. In the simulations of the numerous test devices, the parameters are consistently applied

DYNECHARM++: a toolkit to simulate coherent interactions of high-energy charged particles in complex structures

Science.gov (United States)

Bagli, Enrico; Guidi, Vincenzo

2013-08-01

A toolkit for the simulation of coherent interactions between high-energy charged particles and complex crystal structures, called DYNECHARM++ has been developed. The code has been written in C++ language taking advantage of this object-oriented programing method. The code is capable to evaluating the electrical characteristics of complex atomic structures and to simulate and track the particle trajectory within them. Calculation method of electrical characteristics based on their expansion in Fourier series has been adopted. Two different approaches to simulate the interaction have been adopted, relying on the full integration of particle trajectories under the continuum potential approximation and on the definition of cross-sections of coherent processes. Finally, the code has proved to reproduce experimental results and to simulate interaction of charged particles with complex structures.

Simulation of charge transfer and orbital rehybridization in molecular and condensed matter systems

Science.gov (United States)

Nistor, Razvan A.

The mixing and shifting of electronic orbitals in molecules, or between atoms in bulk systems, is crucially important to the overall structure and physical properties of materials. Understanding and accurately modeling these orbital interactions is of both scientific and industrial relevance. Electronic orbitals can be perturbed in several ways. Doping, adding or removing electrons from systems, can change the bond-order and the physical properties of certain materials. Orbital rehybridization, driven by either thermal or pressure excitation, alters the short-range structure of materials and changes their long-range transport properties. Macroscopically, during bond formation, the shifting of electronic orbitals can be interpreted as a charge transfer phenomenon, as electron density may pile up around, and hence, alter the effective charge of, a given atom in the changing chemical environment. Several levels of theory exist to elucidate the mechanisms behind these orbital interactions. Electronic structure calculations solve the time-independent Schrodinger equation to high chemical accuracy, but are computationally expensive and limited to small system sizes and simulation times. Less fundamental atomistic calculations use simpler parameterized functional expressions called force-fields to model atomic interactions. Atomistic simulations can describe systems and time-scales larger and longer than electronic-structure methods, but at the cost of chemical accuracy. In this thesis, both first-principles and phenomenological methods are addressed in the study of several encompassing problems dealing with charge transfer and orbital rehybridization. Firstly, a new charge-equilibration method is developed that improves upon existing models to allow next-generation force-fields to describe the electrostatics of changing chemical environments. Secondly, electronic structure calculations are used to investigate the doping dependent energy landscapes of several high

Charging of the Van Allen Probes: Theory and Simulations

Science.gov (United States)

Delzanno, G. L.; Meierbachtol, C.; Svyatskiy, D.; Denton, M.

2017-12-01

The electrical charging of spacecraft has been a known problem since the beginning of the space age. Its consequences can vary from moderate (single event upsets) to catastrophic (total loss of the spacecraft) depending on a variety of causes, some of which could be related to the surrounding plasma environment, including emission processes from the spacecraft surface. Because of its complexity and cost, this problem is typically studied using numerical simulations. However, inherent unknowns in both plasma parameters and spacecraft material properties can lead to inaccurate predictions of overall spacecraft charging levels. The goal of this work is to identify and study the driving causes and necessary parameters for particular spacecraft charging events on the Van Allen Probes (VAP) spacecraft. This is achieved by making use of plasma theory, numerical simulations, and on-board data. First, we present a simple theoretical spacecraft charging model, which assumes a spherical spacecraft geometry and is based upon the classical orbital-motion-limited approximation. Some input parameters to the model (such as the warm plasma distribution function) are taken directly from on-board VAP data, while other parameters are either varied parametrically to assess their impact on the spacecraft potential, or constrained through spacecraft charging data and statistical techniques. Second, a fully self-consistent numerical simulation is performed by supplying these parameters to CPIC, a particle-in-cell code specifically designed for studying plasma-material interactions. CPIC simulations remove some of the assumptions of the theoretical model and also capture the influence of the full geometry of the spacecraft. The CPIC numerical simulation results will be presented and compared with on-board VAP data. This work will set the foundation for our eventual goal of importing the full plasma environment from the LANL-developed SHIELDS framework into CPIC, in order to more accurately

Counterion release from a discretely charged surface in an electrolyte: Monte Carlo simulation study

International Nuclear Information System (INIS)

Hernández-Contreras, M

2015-01-01

Monte Carlo simulations allowed us to determine the amount of released electric charges from a discretely charged surface in 1:1 aqueous electrolyte solution as a function of surface charge density. Within the restricted primitive model and for a fixed concentration of 0.1 M bulk electrolyte in solution, there is an increase in the number of released counterions per unit surface area as the strength of the surface charge is enhanced. A similar behaviour of the number of released counterions was also found through the use of mean field and liquid theory methods

Computer simulations analysis for determining the polarity of charge generated by high energy electron irradiation of a thin film

DEFF Research Database (Denmark)

Malac, Marek; Hettler, Simon; Hayashida, Misa

2017-01-01

Detailed simulations are necessary to correctly interpret the charge polarity of electron beam irradiated thin film patch. Relying on systematic simulations we provide guidelines and movies to interpret experimentally the polarity of the charged area, to be understood as the sign of the electrost......Detailed simulations are necessary to correctly interpret the charge polarity of electron beam irradiated thin film patch. Relying on systematic simulations we provide guidelines and movies to interpret experimentally the polarity of the charged area, to be understood as the sign...... of the electrostatic potential developed under the beam with reference to a ground electrode. We discuss the two methods most frequently used to assess charge polarity: Fresnel imaging of the irradiated area and Thon rings analysis. We also briefly discuss parameter optimization for hole free phase plate (HFPP...

Novel simulation method of space charge effects in electron optical systems including emission of electrons

Czech Academy of Sciences Publication Activity Database

Zelinka, Jiří; Oral, Martin; Radlička, Tomáš

2018-01-01

Roč. 184, JAN (2018), s. 66-76 ISSN 0304-3991 R&D Projects: GA MŠk(CZ) LO1212; GA MŠk ED0017/01/01 Institutional support: RVO:68081731 Keywords : space charge * self-consistent simulation * aberration polynomial * electron emission Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 2.843, year: 2016

Simulating charge transport in flexible systems

Directory of Open Access Journals (Sweden)

Timothy Clark

2015-12-01

Full Text Available Systems in which movements occur on two significantly different time domains, such as organic electronic components with flexible molecules, require different simulation techniques for the two time scales. In the case of molecular electronics, charge transport is complicated by the several different mechanisms (and theoretical models that apply in different cases. We cannot yet combine time scales of molecular and electronic movement in simulations of real systems. This review describes our progress towards this goal.

DART: a simulation code for charged particle beams

International Nuclear Information System (INIS)

White, R.C.; Barr, W.L.; Moir, R.W.

1988-01-01

This paper presents a recently modified verion of the 2-D DART code designed to simulate the behavior of a beam of charged particles whose paths are affected by electric and magnetic fields. This code was originally used to design laboratory-scale and full-scale beam direct converters. Since then, its utility has been expanded to allow more general applications. The simulation technique includes space charge, secondary electron effects, and neutral gas ionization. Calculations of electrode placement and energy conversion efficiency are described. Basic operation procedures are given including sample input files and output. 7 refs., 18 figs

A Cost-Effective Electric Vehicle Charging Method Designed For Residential Homes with Renewable Energy

Science.gov (United States)

Lie, T. T.; Liang, Xiuli; Haque, M. H.

2015-03-01

Most of the electrical infrastructure in use around the world today is decades old, and may be illsuited to widespread proliferation of personal Electric Vehicles (EVs) whose charging requirements will place increasing strain on grid demand. In order to reduce the pressure on the grid and taking benefits of off peak charging, this paper presents a smart and cost effective EV charging methodology for residential homes equipped with renewable energy resources such as Photovoltaic (PV) panels and battery. The proposed method ensures slower battery degradation and prevents overcharging. The performance of the proposed algorithm is verified by conducting simulation studies utilizing running data of Nissan Altra. From the simulation study results, the algorithm is shown to be effective and feasible which minimizes not only the charging cost but also can shift the charging time from peak value to off-peak time.

Charge collection characterization of a 3D silicon radiation detector by using 3D simulations

CERN Document Server

Kalliopuska, J; Orava, R

2007-01-01

In 3D detectors, the electrodes are processed within the bulk of the sensor material. Therefore, the signal charge is collected independently of the wafer thickness and the collection process is faster due to shorter distances between the charge collection electrodes as compared to a planar detector structure. In this paper, 3D simulations are used to assess the performance of a 3D detector structure in terms of charge sharing, efficiency and speed of charge collection, surface charge, location of the primary interaction and the bias voltage. The measured current pulse is proposed to be delayed due to the resistance–capacitance (RC) product induced by the variation of the serial resistance of the pixel electrode depending on the depth of the primary interaction. Extensive simulations are carried out to characterize the 3D detector structures and to verify the proposed explanation for the delay of the current pulse. A method for testing the hypothesis experimentally is suggested.

Extraction method of interfacial injected charges for SiC power MOSFETs

Science.gov (United States)

Wei, Jiaxing; Liu, Siyang; Li, Sheng; Song, Haiyang; Chen, Xin; Li, Ting; Fang, Jiong; Sun, Weifeng

2018-01-01

An improved novel extraction method which can characterize the injected charges along the gate oxide interface for silicon carbide (SiC) power metal-oxide-semiconductor field-effect transistors (MOSFETs) is proposed. According to the different interface situations of the channel region and the junction FET (JFET) region, the gate capacitance versus gate voltage (Cg-Vg) curve of the device can be divided into three relatively independent parts, through which the locations and the types of the charges injected in to the oxide above the interface can be distinguished. Moreover, the densities of these charges can also be calculated by the amplitudes of the shifts in the Cg-Vg curve. The correctness of this method is proved by TCAD simulations. Moreover, experiments on devices stressed by unclamped-inductive-switching (UIS) stress and negative bias temperature stress (NBTS) are performed to verify the validity of this method.

A new clocking method for a charge coupled device

International Nuclear Information System (INIS)

Umezu, Rika; Kitamoto, Shunji; Murakami, Hiroshi

2014-01-01

We propose and demonstrate a new clocking method for a charge-coupled device (CCD). When a CCD is used for a photon counting detector of X-rays, its weak point is a limitation of its counting rate, because high counting rate makes non-negligible pile-up of photons. In astronomical usage, this pile-up is especially severe for an observation of a bright point-like object. One typical idea to reduce the pile-up is a parallel sum (P-sum) mode. This mode completely loses one-dimensional information. Our new clocking method, panning mode, provides complementary properties between the normal mode and the P-sum mode. We performed a simple simulation in order to investigate a pile-up probability and compared the simulated result and actual obtained event rates. Using this simulation and the experimental results, we compared the pile-up tolerance of various clocking modes including our new method and also compared their other characteristics

Discrete element simulation of charging and mixed layer formation in the ironmaking blast furnace

Science.gov (United States)

Mitra, Tamoghna; Saxén, Henrik

2016-11-01

The burden distribution in the ironmaking blast furnace plays an important role for the operation as it affects the gas flow distribution, heat and mass transfer, and chemical reactions in the shaft. This work studies certain aspects of burden distribution by small-scale experiments and numerical simulation by the discrete element method (DEM). Particular attention is focused on the complex layer-formation process and the problems associated with estimating the burden layer distribution by burden profile measurements. The formation of mixed layers is studied, and a computational method for estimating the extent of the mixed layer, as well as its voidage, is proposed and applied on the results of the DEM simulations. In studying a charging program and its resulting burden distribution, the mixed layers of coke and pellets were found to show lower voidage than the individual burden layers. The dynamic evolution of the mixed layer during the charging process is also analyzed. The results of the study can be used to gain deeper insight into the complex charging process of the blast furnace, which is useful in the design of new charging programs and for mathematical models that do not consider the full behavior of the particles in the burden layers.

The simulation of charge sharing in semiconductor X-ray pixel detectors

CERN Document Server

Mathieson, K; O'Shea, V; Passmore, M S; Rahman, M; Smith, K M; Watt, J; Whitehill, C

2002-01-01

Two simulation packages were used to model the sharing of charge, due to the scattering and diffusion of carriers, between adjacent pixel elements in semiconductors X-ray detectors. The X-ray interaction and the consequent multiple scattering was modelled with the aid of the Monte Carlo package, MCNP. The resultant deposited charge distribution was then used to create the charge cloud profile in the finite element semiconductor simulation code MEDICI. The analysis of the current pulses induced on pixel electrodes for varying photon energies was performed for a GaAs pixel detector. For a pixel pitch of 25 mu m, the charge lost to a neighbouring pixel was observed to be constant, at 0.6%, through the energies simulated. Ultimately, a fundamental limit on the pixel element size for imaging and spectroscopic devices may be set due to these key physical principles.

Droop-Control-Based State-of-Charge Balancing Method for Charging and Discharging Process in Autonomous DC Microgrids

DEFF Research Database (Denmark)

Lu, Xiaonan; Sun, Kai; Guerrero, Josep M.

2014-01-01

in the discharging process. Meanwhile, the ESU with lower SoC absorbs more power in the charging process and delivers less power in the discharging process. Eventually, the SoC and injected/output power in each ESU are equalized. The exponent n for SoC is employed to regulate the balancing speed of the So......C and injected/output power. It is demonstrated that with higher exponent n, the balancing speed is higher. Simulation model comprised of three ESUs is implemented by using MATLAB/Simulink. The proposed method is verified by the simulation results....

Numerical simulation methods for electron and ion optics

International Nuclear Information System (INIS)

Munro, Eric

2011-01-01

This paper summarizes currently used techniques for simulation and computer-aided design in electron and ion beam optics. Topics covered include: field computation, methods for computing optical properties (including Paraxial Rays and Aberration Integrals, Differential Algebra and Direct Ray Tracing), simulation of Coulomb interactions, space charge effects in electron and ion sources, tolerancing, wave optical simulations and optimization. Simulation examples are presented for multipole aberration correctors, Wien filter monochromators, imaging energy filters, magnetic prisms, general curved axis systems and electron mirrors.

Charge-Neutral Constant pH Molecular Dynamics Simulations Using a Parsimonious Proton Buffer.

Science.gov (United States)

Donnini, Serena; Ullmann, R Thomas; Groenhof, Gerrit; Grubmüller, Helmut

2016-03-08

In constant pH molecular dynamics simulations, the protonation states of titratable sites can respond to changes of the pH and of their electrostatic environment. Consequently, the number of protons bound to the biomolecule, and therefore the overall charge of the system, fluctuates during the simulation. To avoid artifacts associated with a non-neutral simulation system, we introduce an approach to maintain neutrality of the simulation box in constant pH molecular dynamics simulations, while maintaining an accurate description of all protonation fluctuations. Specifically, we introduce a proton buffer that, like a buffer in experiment, can exchange protons with the biomolecule enabling its charge to fluctuate. To keep the total charge of the system constant, the uptake and release of protons by the buffer are coupled to the titration of the biomolecule with a constraint. We find that, because the fluctuation of the total charge (number of protons) of a typical biomolecule is much smaller than the number of titratable sites of the biomolecule, the number of buffer sites required to maintain overall charge neutrality without compromising the charge fluctuations of the biomolecule, is typically much smaller than the number of titratable sites, implying markedly enhanced simulation and sampling efficiency.

Simulation of the dielectric charging-up effect in a GEM detector

International Nuclear Information System (INIS)

Alfonsi, M.; Croci, G.; Duarte Pinto, S.; Rocco, E.; Ropelewski, L.; Sauli, F.; Veenhof, R.; Villa, M.

2012-01-01

The charging up effect is well-known in detectors containing dielectric materials and it is due to electrons and ions liberated in an avalanche and collected on the dielectric surfaces. In particular in Gas Electron Multiplier (GEM) based detectors, charges can be captured by the Kapton that separates top and bottom electrodes. The collection of a substantial number of charges on the dielectric surfaces induces a modification of the field inside the GEM holes that implies important consequences on some fundamental parameters such as the electron transparency and the effective gain. The correct simulation of this effect opens new ways to the detailed study of the processes that happens in a GEM-based detector and gives the possibility to optimise the GEM geometry in order to avoid it. This paper compares results of the measurements and the simulations, with and without the introduction of the charging-up effect, of the GEM electron transparency in the case of a single GEM detector. The introduction of the charging up effect in the simulation resulted to be crucial in order to get the proper agreement with the measurements. The measurements and simulations of the GEM effective gain will be the subject of a future work.

SLC injector simulation and tuning for high charge transport

International Nuclear Information System (INIS)

Yeremian, A.D.; Miller, R.H.; Clendenin, J.E.; Early, R.A.; Ross, M.C.; Turner, J.L.; Wang, J.W.

1992-01-01

We have simulated the SLC injector from the thermionic gun through the first accelerating section and used the resulting parameters to tune the injector for optimum performance and high charge transport. Simulations are conducted using PARMELA, a three-dimensional space-charge model. The magnetic field profile due to the existing magnetic optics is calculated using POISSON, while SUPERFISH is used to calculate the space harmonics of the various bunchers and the accelerator cavities. The initial beam conditions in the PARMELA code are derived from the EGUN model of the gun. The resulting injector parameters from the PARMELA simulation are used to prescribe experimental settings of the injector components. The experimental results are in agreement with the results of the integrated injector model. (Author) 5 figs., 7 refs

New density estimation methods for charged particle beams with applications to microbunching instability

International Nuclear Information System (INIS)

Terzic, B.; Bassi, G.

2011-01-01

In this paper we discuss representations of charge particle densities in particle-in-cell simulations, analyze the sources and profiles of the intrinsic numerical noise, and present efficient methods for their removal. We devise two alternative estimation methods for charged particle distribution which represent significant improvement over the Monte Carlo cosine expansion used in the 2D code of Bassi et al. (G. Bassi, J.A. Ellison, K. Heinemann and R. Warnock Phys. Rev. ST Accel. Beams 12 080704 (2009)G. Bassi and B. Terzic, in Proceedings of the 23rd Particle Accelerator Conference, Vancouver, Canada, 2009 (IEEE, Piscataway, NJ, 2009), TH5PFP043), designed to simulate coherent synchrotron radiation (CSR) in charged particle beams. The improvement is achieved by employing an alternative beam density estimation to the Monte Carlo cosine expansion. The representation is first binned onto a finite grid, after which two grid-based methods are employed to approximate particle distributions: (i) truncated fast cosine transform; and (ii) thresholded wavelet transform (TWT). We demonstrate that these alternative methods represent a staggering upgrade over the original Monte Carlo cosine expansion in terms of efficiency, while the TWT approximation also provides an appreciable improvement in accuracy. The improvement in accuracy comes from a judicious removal of the numerical noise enabled by the wavelet formulation. The TWT method is then integrated into the CSR code (G. Bassi, J.A. Ellison, K. Heinemann and R. Warnock Phys. Rev. ST Accel. Beams 12 080704 (2009)), and benchmarked against the original version. We show that the new density estimation method provides a superior performance in terms of efficiency and spatial resolution, thus enabling high-fidelity simulations of CSR effects, including microbunching instability.

Charge separation at disordered semiconductor heterojunctions from random walk numerical simulations.

Science.gov (United States)

Mandujano-Ramírez, Humberto J; González-Vázquez, José P; Oskam, Gerko; Dittrich, Thomas; Garcia-Belmonte, Germa; Mora-Seró, Iván; Bisquert, Juan; Anta, Juan A

2014-03-07

Many recent advances in novel solar cell technologies are based on charge separation in disordered semiconductor heterojunctions. In this work we use the Random Walk Numerical Simulation (RWNS) method to model the dynamics of electrons and holes in two disordered semiconductors in contact. Miller-Abrahams hopping rates and a tunnelling distance-dependent electron-hole annihilation mechanism are used to model transport and recombination, respectively. To test the validity of the model, three numerical "experiments" have been devised: (1) in the absence of constant illumination, charge separation has been quantified by computing surface photovoltage (SPV) transients. (2) By applying a continuous generation of electron-hole pairs, the model can be used to simulate a solar cell under steady-state conditions. This has been exploited to calculate open-circuit voltages and recombination currents for an archetypical bulk heterojunction solar cell (BHJ). (3) The calculations have been extended to nanostructured solar cells with inorganic sensitizers to study, specifically, non-ideality in the recombination rate. The RWNS model in combination with exponential disorder and an activated tunnelling mechanism for transport and recombination is shown to reproduce correctly charge separation parameters in these three "experiments". This provides a theoretical basis to study relevant features of novel solar cell technologies.

Device simulation of charge collection and single-event upset

International Nuclear Information System (INIS)

Dodd, P.E.

1996-01-01

In this paper the author reviews the current status of device simulation of ionizing-radiation-induced charge collection and single-event upset (SEU), with an emphasis on significant results of recent years. The author presents an overview of device-modeling techniques applicable to the SEU problem and the unique challenges this task presents to the device modeler. He examines unloaded simulations of radiation-induced charge collection in simple p/n diodes, SEU in dynamic random access memories (DRAM's), and SEU in static random access memories (SRAM's). The author concludes with a few thoughts on future issues likely to confront the SEU device modeler

Simulation model of stratified thermal energy storage tank using finite difference method

Science.gov (United States)

Waluyo, Joko

2016-06-01

Stratified TES tank is normally used in the cogeneration plant. The stratified TES tanks are simple, low cost, and equal or superior in thermal performance. The advantage of TES tank is that it enables shifting of energy usage from off-peak demand for on-peak demand requirement. To increase energy utilization in a stratified TES tank, it is required to build a simulation model which capable to simulate the charging phenomenon in the stratified TES tank precisely. This paper is aimed to develop a novel model in addressing the aforementioned problem. The model incorporated chiller into the charging of stratified TES tank system in a closed system. The model was developed in one-dimensional type involve with heat transfer aspect. The model covers the main factors affect to degradation of temperature distribution namely conduction through the tank wall, conduction between cool and warm water, mixing effect on the initial flow of the charging as well as heat loss to surrounding. The simulation model is developed based on finite difference method utilizing buffer concept theory and solved in explicit method. Validation of the simulation model is carried out using observed data obtained from operating stratified TES tank in cogeneration plant. The temperature distribution of the model capable of representing S-curve pattern as well as simulating decreased charging temperature after reaching full condition. The coefficient of determination values between the observed data and model obtained higher than 0.88. Meaning that the model has capability in simulating the charging phenomenon in the stratified TES tank. The model is not only capable of generating temperature distribution but also can be enhanced for representing transient condition during the charging of stratified TES tank. This successful model can be addressed for solving the limitation temperature occurs in charging of the stratified TES tank with the absorption chiller. Further, the stratified TES tank can be

Lattice-Boltzmann simulation of the sedimentation of charged disks

NARCIS (Netherlands)

Capuani, F.; Pagonabarraga, I.; Frenkel, D.

2006-01-01

We report a series of lattice-Boltzmann simulations of the sedimentation velocity of charged disks. In these simulations, we explicitly account for the hydrodynamic and electrostatic forces on disks and on their electrical double layer. By comparing our results with those for spheres with equal

SLC injector simulation and tuning for high charge transport

International Nuclear Information System (INIS)

Yeremian, A.D.; Miller, R.H.; Clendenin, J.E.; Early, R.A.; Ross, M.C.; Turner, J.L.; Wang, J.W.

1992-08-01

We have simulated the SLC injector from the thermionic gun through the first accelerating section and used the resulting parameters to tune the injector for optimum performance and high charge transport. Simulations are conducted using PARMELA, a three-dimensional ray-trace code with a two-dimensional space-charge model. The magnetic field profile due to the existing magnetic optics is calculated using POISSON, while SUPERFISH is used to calculate the space harmonics of the various bunchers and the accelerator cavities. The initial beam conditions in the PARMELA code are derived from the EGUN model of the gun. The resulting injector parameters from the PARMELA simulation are used to prescribe experimental settings of the injector components. The experimental results are in agreement with the results of the integrated injector model

Simulation of space charge effects in a synchrotron

International Nuclear Information System (INIS)

Machida, Shinji; Ikegami, Masanori

1998-01-01

We have studied space charge effects in a synchrotron with multi-particle tracking in 2-D and 3-D configuration space (4-D and 6-D phase space, respectively). First, we will describe the modelling of space charge fields in the simulation and a procedure of tracking. Several ways of presenting tracking results will be also mentioned. Secondly, it is discussed as a demonstration of the simulation study that coherent modes of a beam play a major role in beam stability and intensity limit. The incoherent tune in a resonance condition should be replaced by the coherent tune. Finally, we consider the coherent motion of a beam core as a driving force of halo formation. The mechanism is familiar in linac, and we apply it in a synchrotron

Simulation study of charged nanoparticles confined in a rectangular tube with discrete wall charges.

Science.gov (United States)

Yuet, Pak K

2006-03-28

The development of novel nanomaterials has been a subject of intense interest in recent years. An interesting structure among these materials is the so-called "pea pods" (i.e., nanoparticles confined in nanotubes). To facilitate the development and commercialization of these materials, it is important that we have an in-depth understanding of their behavior. The study of confined charged particles is particularly challenging because of the long-ranged nature of electrostatic interaction, and both interparticle and particle-confinement interactions are likely to play a role in determining the system behavior. The primary objective of this study is to develop a better understanding of the behavior of charged nanoparticles in a charged tubular confinement using Monte Carlo simulation, with particular focus on the effect of electrostatic interactions on the structure of the particles. Simulation results have shown that (i) the structuring of confined particles is associated with the asymmetry of the long-ranged interaction and (ii) factors such as confinement geometry and particle charge and size asymmetry can be manipulated to produce different particle structures. The present study represents the first step in an attempt to gain further insight into the behavior of confined nanosystems, with the ultimate objective of exploiting these characteristics, particularly the interactions between the confined particles and their external environment, in developing novel nanomaterials.

Three-dimensional simulation of charge collection and multiple-bit upset in Si devices

International Nuclear Information System (INIS)

Dodd, P.E.; Sexton, F.W.; Winokur, P.S.

1994-01-01

In this paper, three-dimensional numerical simulation is used to explore the basic charge-collection mechanisms in silicon n + /p diodes. For diodes on lightly-doped substrates ( 15 cm -3 ) struck by a 100-MeV Fe ion, the funneling effect is very strong and essentially all collection is by funnel-assisted drift. This drift collection may occur as late as several nanoseconds after the strike, later than is usually associated with drift collection. For moderately-doped substrates (∼1 x 10 16 cm -3 ) and epitaxial structures grown on heavily-doped substrates, the funnel effect is weaker and drift and diffusion are of more equal importance. For 5-MeV He (α-particle) strikes with low-density charge tracks, the charge-collection transient exhibits both drift and diffusion regimes regardless of the substrate doping. Simulations of diodes with passive external loads indicate that while the current response is altered considerably by the load, total collected charge is not greatly affected for the simple resistive loads studied. Three-dimensional mixed-mode simulation is performed to investigate charge-collection behavior and upset mechanisms in complete CMOS SRAM cells. Simulations of double SRAM cell structures indicate that only collection by diffusion from ''between-node'' strikes is capable of producing multiple-bit upsets in the simulated technology. Limitations of the simulations, specifically carrier-carrier scattering models and large concentration gradients, are also discussed

IBSIMU: A three-dimensional simulation software for charged particle optics

Energy Technology Data Exchange (ETDEWEB)

Kalvas, T.; Tarvainen, O.; Ropponen, T.; Steczkiewicz, O.; Aerje, J. [Department of Physics, University of Jyvaeskylae, Jyvaeskylae 40500 (Finland); Clark, H. [Cyclotron Institute, Texas A and M University, College Station, Texas 77843 (United States)

2010-02-15

A general-purpose three-dimensional (3D) simulation code IBSIMU for charged particle optics with space charge is under development at JYFL. The code was originally developed for designing a slit-beam plasma extraction and nanosecond scale chopping for pulsed neutron generator, but has been developed further and has been used for many applications. The code features a nonlinear FDM Poisson's equation solver based on fast stabilized biconjugate gradient method with ILU0 preconditioner for solving electrostatic fields. A generally accepted nonlinear plasma model is used for plasma extraction. Magnetic fields can be imported to the simulations from other programs. The particle trajectories are solved using adaptive Runge-Kutta method. Steady-state and time-dependent problems can be modeled in cylindrical coordinates, two-dimensional (slit) geometry, or full 3D. The code is used via C++ programming language for versatility but it features an interactive easy-to-use postprocessing tool for diagnosing fields and particle trajectories. The open source distribution and public documentation make the code well suited for scientific use. IBSIMU has been used for modeling the 14 GHz ECR ion source extraction and for designing a four-electrode extraction for a 2.45 GHz microwave ion source at Jyvaeskylae. A grid extraction has also been designed for producing large uniform beam for creating conditions similar to solar wind. The code has also been used to design a H{sup -} extraction with electron dumping for the Cyclotron Institute of Texas A and M University.

Discrete element simulation of mill charge in 3D using the BLAZE-DEM GPU framework

CSIR Research Space (South Africa)

Govender, Nicolin

2015-08-01

Full Text Available The Discrete Element Method (DEM) simulation of charge motion in ball, semi autogenous (SAG) and autogenous mills has advanced to a stage where the effects of lifter design, power draft and product size can be evaluated with sufficient accuracy...

Radiation of a charge in presence of a dielectric object: aperture method

Science.gov (United States)

Tyukhtin, A. V.; Vorobev, V. V.; Belonogaya, E. S.; Galyamin, S. N.

2018-02-01

We develop an original method for calculation of radiation from a charge moving in the presence of a dielectric object. The method can be applied to objects which are larger than the wavelengths under consideration. First, the field of a charge in an infinite medium (without external boundaries) is calculated. Further the field at the external boundary of the object ("the aperture") is found using the Snell's and Fresnel's laws. At final step of this technique, we calculate the field outside the target using Stratton-Chu formulae ("aperture integrals"). Contrary to the ray-optic technique, this method is valid for the observation point with arbitrary wave parameter (including Fraunhofer area) as well as in neighborhoods of focuses and caustics. We apply the method developed to the cone with vacuum channel where the charge moves (axially symmetrical problem). As well, this problem is simulated using COMSOL Multiphysics. Comparing results of both techniques one can conclude that the aperture method can be applied even for relatively small objects which have the size of several wavelengths. It is important as well that the accuracy of calculations increases with an increase in the distance from the aperture.

Program NAJOCSC and space charge effect simulation in C01

International Nuclear Information System (INIS)

Tang, J.Y.; Chabert, A.; Baron, E.

1999-01-01

During the beam tests of the THI project at GANIL, it was found it difficult to increase the beam power above 2 kW at CSS2 extraction. The space charge effect (abbreviated as S.C. effect) in cyclotrons is suspected to play some role in the phenomenon, especially the longitudinal S.C. one and also the coupling between longitudinal and radial motions. The injector cyclotron C01 is studied, and the role played by the S.C. effect in this cyclotron in the THI case is investigated by a simulation method. (K.A.)

Charge Collection Efficiency Simulations of Irradiated Silicon Strip Detectors

CERN Document Server

Peltola, T.

2014-01-01

During the scheduled high luminosity upgrade of LHC, the world's largest particle physics accelerator at CERN, the position sensitive silicon detectors installed in the vertex and tracking part of the CMS experiment will face more intense radiation environment than the present system was designed for. Thus, to upgrade the tracker to required performance level, comprehensive measurements and simulations studies have already been carried out. Essential information of the performance of an irradiated silicon detector is obtained by monitoring its charge collection efficiency (CCE). From the evolution of CCE with fluence, it is possible to directly observe the effect of the radiation induced defects to the ability of the detector to collect charge carriers generated by traversing minimum ionizing particles (mip). In this paper the numerically simulated CCE and CCE loss between the strips of irradiated silicon strip detectors are presented. The simulations based on Synopsys Sentaurus TCAD framework were performed ...

Applying electric field to charged and polar particles between metallic plates: extension of the Ewald method.

Science.gov (United States)

Takae, Kyohei; Onuki, Akira

2013-09-28

We develop an efficient Ewald method of molecular dynamics simulation for calculating the electrostatic interactions among charged and polar particles between parallel metallic plates, where we may apply an electric field with an arbitrary size. We use the fact that the potential from the surface charges is equivalent to the sum of those from image charges and dipoles located outside the cell. We present simulation results on boundary effects of charged and polar fluids, formation of ionic crystals, and formation of dipole chains, where the applied field and the image interaction are crucial. For polar fluids, we find a large deviation of the classical Lorentz-field relation between the local field and the applied field due to pair correlations along the applied field. As general aspects, we clarify the difference between the potential-fixed and the charge-fixed boundary conditions and examine the relationship between the discrete particle description and the continuum electrostatics.

An improved Monte Carlo (MC) dose simulation for charged particle cancer therapy

Energy Technology Data Exchange (ETDEWEB)

Ying, C. K. [Advanced Medical and Dental Institute, AMDI, Universiti Sains Malaysia, Penang, Malaysia and School of Medical Sciences, Universiti Sains Malaysia, Kota Bharu (Malaysia); Kamil, W. A. [Advanced Medical and Dental Institute, AMDI, Universiti Sains Malaysia, Penang, Malaysia and Radiology Department, Hospital USM, Kota Bharu (Malaysia); Shuaib, I. L. [Advanced Medical and Dental Institute, AMDI, Universiti Sains Malaysia, Penang (Malaysia); Matsufuji, Naruhiro [Research Centre of Charged Particle Therapy, National Institute of Radiological Sciences, NIRS, Chiba (Japan)

2014-02-12

Heavy-particle therapy such as carbon ion therapy are more popular nowadays because of the nature characteristics of charged particle and almost no side effect to patients. An effective treatment is achieved with high precision of dose calculation, in this research work, Geant4 based Monte Carlo simulation method has been used to calculate the radiation transport and dose distribution. The simulation have the same setting with the treatment room in Heavy Ion Medical Accelerator, HIMAC. The carbon ion beam at the isocentric gantry nozzle for the therapeutic energy of 290 MeV/u was simulated, experimental work was carried out in National Institute of Radiological Sciences, NIRS, Chiba, Japan by using the HIMAC to confirm the accuracy and qualities dose distribution by MC methods. The Geant4 based simulated dose distribution were verified with measurements for Bragg peak and spread out Bragg peak (SOBP) respectively. The verification of results shows that the Bragg peak depth-dose and SOBP distributions in simulation has good agreement with measurements. In overall, the study showed that Geant4 based can be fully applied in the heavy-ion therapy field for simulation, further works need to be carry on to refine and improve the Geant4 MC simulations.

An improved Monte Carlo (MC) dose simulation for charged particle cancer therapy

International Nuclear Information System (INIS)

Ying, C. K.; Kamil, W. A.; Shuaib, I. L.; Matsufuji, Naruhiro

2014-01-01

Heavy-particle therapy such as carbon ion therapy are more popular nowadays because of the nature characteristics of charged particle and almost no side effect to patients. An effective treatment is achieved with high precision of dose calculation, in this research work, Geant4 based Monte Carlo simulation method has been used to calculate the radiation transport and dose distribution. The simulation have the same setting with the treatment room in Heavy Ion Medical Accelerator, HIMAC. The carbon ion beam at the isocentric gantry nozzle for the therapeutic energy of 290 MeV/u was simulated, experimental work was carried out in National Institute of Radiological Sciences, NIRS, Chiba, Japan by using the HIMAC to confirm the accuracy and qualities dose distribution by MC methods. The Geant4 based simulated dose distribution were verified with measurements for Bragg peak and spread out Bragg peak (SOBP) respectively. The verification of results shows that the Bragg peak depth-dose and SOBP distributions in simulation has good agreement with measurements. In overall, the study showed that Geant4 based can be fully applied in the heavy-ion therapy field for simulation, further works need to be carry on to refine and improve the Geant4 MC simulations

An improved Monte Carlo (MC) dose simulation for charged particle cancer therapy

International Nuclear Information System (INIS)

Ying, C.K.; Kamil, W.A.; Shuaib, I.L.; Ying, C.K.; Kamil, W.A.

2013-01-01

Full-text: Heavy-particle therapy such as carbon ion therapy are more popular nowadays because of the nature characteristics of charged particle and almost no side effect to patients. An effective treatment is achieved with high precision of dose calculation, in this research work, Geant4 based Monte Carlo simulation method has been used to calculate the radiation transport and dose distribution. The simulation have the same setting with the treatment room in Heavy Ion Medical Accelerator, HIMAC. The carbon ion beam at the isocentric gantry nozzle for the therapeutic energy of 290 MeV/u was simulated, experimental work was carried out in National Institute of Radiological Sciences, NIRS, Chiba, Japan by using the HIMAC to confirm the accuracy and qualities dose distribution by MC methods. The Geant4 based simulated dose distribution were verified with measurements for Bragg peak and spread out Bragg peak (SOBP) respectively. The verification of results shows that the Bragg peak depth-dose and SOBP distributions in simulation has good agreement with measurements. In overall, the study showed that Geant4 based can be fully applied in the heavy ion therapy field for simulation, further works need to be carry on to refine and improve the Geant4 MC simulations. (author)

Evaluation of the constant potential method in simulating electric double-layer capacitors

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhenxing; Laird, Brian B., E-mail: blaird@ku.edu [Department of Chemistry, University of Kansas, Lawrence, Kansas 66045 (United States); Yang, Yang; Olmsted, David L.; Asta, Mark [Department of Materials Science and Engineering, University of California, Berkeley, California 94720 (United States)

2014-11-14

A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is the choice of an appropriate model for the electrode. Typically, in such simulations the electrode surface is modeled using a uniform fixed charge on each of the electrode atoms, which ignores the electrode response to local charge fluctuations in the electrolyte solution. In this work, we evaluate and compare this Fixed Charge Method (FCM) with the more realistic Constant Potential Method (CPM), [S. K. Reed et al., J. Chem. Phys. 126, 084704 (2007)], in which the electrode charges fluctuate in order to maintain constant electric potential in each electrode. For this comparison, we utilize a simplified LiClO{sub 4}-acetonitrile/graphite EDLC. At low potential difference (ΔΨ ⩽ 2 V), the two methods yield essentially identical results for ion and solvent density profiles; however, significant differences appear at higher ΔΨ. At ΔΨ ⩾ 4 V, the CPM ion density profiles show significant enhancement (over FCM) of “inner-sphere adsorbed” Li{sup +} ions very close to the electrode surface. The ability of the CPM electrode to respond to local charge fluctuations in the electrolyte is seen to significantly lower the energy (and barrier) for the approach of Li{sup +} ions to the electrode surface.

Evaluation of the constant potential method in simulating electric double-layer capacitors

International Nuclear Information System (INIS)

Wang, Zhenxing; Laird, Brian B.; Yang, Yang; Olmsted, David L.; Asta, Mark

2014-01-01

A major challenge in the molecular simulation of electric double layer capacitors (EDLCs) is the choice of an appropriate model for the electrode. Typically, in such simulations the electrode surface is modeled using a uniform fixed charge on each of the electrode atoms, which ignores the electrode response to local charge fluctuations in the electrolyte solution. In this work, we evaluate and compare this Fixed Charge Method (FCM) with the more realistic Constant Potential Method (CPM), [S. K. Reed et al., J. Chem. Phys. 126, 084704 (2007)], in which the electrode charges fluctuate in order to maintain constant electric potential in each electrode. For this comparison, we utilize a simplified LiClO 4 -acetonitrile/graphite EDLC. At low potential difference (ΔΨ ⩽ 2 V), the two methods yield essentially identical results for ion and solvent density profiles; however, significant differences appear at higher ΔΨ. At ΔΨ ⩾ 4 V, the CPM ion density profiles show significant enhancement (over FCM) of “inner-sphere adsorbed” Li + ions very close to the electrode surface. The ability of the CPM electrode to respond to local charge fluctuations in the electrolyte is seen to significantly lower the energy (and barrier) for the approach of Li + ions to the electrode surface

A new approach to calculate charge carrier transport mobility in organic molecular crystals from imaginary time path integral simulations

International Nuclear Information System (INIS)

Song, Linze; Shi, Qiang

2015-01-01

We present a new non-perturbative method to calculate the charge carrier mobility using the imaginary time path integral approach, which is based on the Kubo formula for the conductivity, and a saddle point approximation to perform the analytic continuation. The new method is first tested using a benchmark calculation from the numerical exact hierarchical equations of motion method. Imaginary time path integral Monte Carlo simulations are then performed to explore the temperature dependence of charge carrier delocalization and mobility in organic molecular crystals (OMCs) within the Holstein and Holstein-Peierls models. The effects of nonlocal electron-phonon interaction on mobility in different charge transport regimes are also investigated

High-Fidelity Simulations of Electrically-Charged Atomizing Diesel-Type Jets

Science.gov (United States)

Gaillard, Benoit; Owkes, Mark; van Poppel, Bret

2015-11-01

Combustion of liquid fuels accounts for over a third of the energy usage today. Improving efficiency of combustion systems is critical to meet the energy needs while limiting environmental impacts. Additionally, a shift away from traditional fossil fuels to bio-derived alternatives requires fuel injection systems that can atomize fuels with a wide range of properties. In this work, the potential benefits of electrically-charged atomization is investigated using numerical simulations. Particularly, the electrostatic forces on the hydrodynamic jet are quantified and the impact of the forces is analyzed by comparing simulations of Diesel-type jets at realistic flow conditions. The simulations are performed using a state-of-the-art numerical framework that globally conserves mass, momentum, and the electric charge density even at the gas-liquid interface where discontinuities exist.

Dynamic simulation of charging processes in polar dielectrics irradiated by the electron bunches of middle level energy

International Nuclear Information System (INIS)

Maslovskaya, A.G.

2011-01-01

Nowadays the scanning electron microscopy techniques are widely used practically in condenser matter physics to study properties and structure of solids. The electron probe of scanning electron microscope is not merely a passive indicator of the geometrical or potential profile of the sample surface, but also the source producing ionizing, electric and thermal action on the sample. The application of raster electron methods to polar materials, responding to electric and heat exposures of the electron bunches allows us to get a response and create new modes of image formation. Let assume, that a sample surface of dielectric is irradiated by thin focused electron bunches of middle level energy (with order 1÷50 keV). When electrons bombard the dielectric sample the accumulation of absorbed electrons occurs. As a result generated charged areas can irregular drift the initial bunches. Charging effect occurs at any magnifications and any actual probe current. This work considers the results of dynamic simulation of charging process in polar dielectrics under the investigation with the scanning electron microscope. The purpose of present study is design and model implementation of three-dimensional dynamic model of charge relaxation in polar materials irradiated by electron bunches of middle level energy. The mathematical problem definition is given by the system of the continuity equation and Poisson equation. Final system of equations was modified in terms of intrinsic radiation-induced conductivity in sample as well as cylindrical symmetry of the problem. The simulation is based on numerical method solving of boundary problem for partial derivative equation system. In addition the initial electron distribution is determined by Monte-Carlo method using the programming implementation. To solve this problem we used the computational methods of solution of nonstationary mathematical physics problem such as finite difference method and finite element method realized with

Matrix method for acoustic levitation simulation.

Science.gov (United States)

Andrade, Marco A B; Perez, Nicolas; Buiochi, Flavio; Adamowski, Julio C

2011-08-01

A matrix method is presented for simulating acoustic levitators. A typical acoustic levitator consists of an ultrasonic transducer and a reflector. The matrix method is used to determine the potential for acoustic radiation force that acts on a small sphere in the standing wave field produced by the levitator. The method is based on the Rayleigh integral and it takes into account the multiple reflections that occur between the transducer and the reflector. The potential for acoustic radiation force obtained by the matrix method is validated by comparing the matrix method results with those obtained by the finite element method when using an axisymmetric model of a single-axis acoustic levitator. After validation, the method is applied in the simulation of a noncontact manipulation system consisting of two 37.9-kHz Langevin-type transducers and a plane reflector. The manipulation system allows control of the horizontal position of a small levitated sphere from -6 mm to 6 mm, which is done by changing the phase difference between the two transducers. The horizontal position of the sphere predicted by the matrix method agrees with the horizontal positions measured experimentally with a charge-coupled device camera. The main advantage of the matrix method is that it allows simulation of non-symmetric acoustic levitators without requiring much computational effort.

Charge-transfer modified embedded atom method dynamic charge potential for Li-Co-O system.

Science.gov (United States)

Kong, Fantai; Longo, Roberto C; Liang, Chaoping; Nie, Yifan; Zheng, Yongping; Zhang, Chenxi; Cho, Kyeongjae

2017-11-29

To overcome the limitation of conventional fixed charge potential methods for the study of Li-ion battery cathode materials, a dynamic charge potential method, charge-transfer modified embedded atom method (CT-MEAM), has been developed and applied to the Li-Co-O ternary system. The accuracy of the potential has been tested and validated by reproducing a variety of structural and electrochemical properties of LiCoO 2 . A detailed analysis on the local charge distribution confirmed the capability of this potential for dynamic charge modeling. The transferability of the potential is also demonstrated by its reliability in describing Li-rich Li 2 CoO 2 and Li-deficient LiCo 2 O 4 compounds, including their phase stability, equilibrium volume, charge states and cathode voltages. These results demonstrate that the CT-MEAM dynamic charge potential could help to overcome the challenge of modeling complex ternary transition metal oxides. This work can promote molecular dynamics studies of Li ion cathode materials and other important transition metal oxides systems that involve complex electrochemical and catalytic reactions.

Study of a New Quick-Charging Strategy for Electric Vehicles in Highway Charging Stations

Directory of Open Access Journals (Sweden)

Lixing Chen

2016-09-01

Full Text Available To solve the problem, because of which conventional quick-charging strategies (CQCS cannot meet the requirements of quick-charging for multiple types of electric vehicles (EV on highways where vehicle inflow is excessive, this paper proposed a new quick-charging strategy (NQCS for EVs: on the premise of not affecting those EVs being charged, the remaining power of the quick-charging pile with multiple power output interfaces is used to provide a synchronous charging service for EVs waiting in the queue. To verify the effectiveness of this strategy, a power distribution model of charging pile and a queuing model of charging station (CS were constructed. In addition, based on an actual highway service area where vehicle inflow is excessive during the simulation period (0:00–24:00, charging situations of CQCS and NQCS were respectively simulated in a charging station (CS, with different number of chargers, by basic queuing algorithm and an improved queuing algorithm. The simulation results showed that when the relative EV inflow is excessive, compared to CQCS, NQCS not only can reduce user waiting time, charging time, and stay time, but also can improve the utilisation rate of charging infrastructure and service capacity of CS and reduce the queue length of CS. At the same time, NQCS can reduce the impact on the power grid. In addition, in NQCS, the on-demand power distribution method is more efficient than the average power distribution method. Therefore, NQCS is more suitable for quick-charging for multiple types of EVs on highways where vehicle inflow is excessive.

Bmad: A relativistic charged particle simulation library

International Nuclear Information System (INIS)

Sagan, D.

2006-01-01

Bmad is a subroutine library for simulating relativistic charged particle beams in high-energy accelerators and storage rings. Bmad can be used to study both single and multi-particle beam dynamics using routines to track both particles and macroparticles. Bmad has various tracking algorithms including Runge-Kutta and symplectic (Lie algebraic) integration. Various effects such as wakefields, and radiation excitation and damping can be simulated. Bmad has been developed in a modular, object-oriented fashion to maximize flexibility. Interface routines allow Bmad to be called from C/C++ as well as Fortran programs. Bmad is well documented. Every routine is individually annotated, and there is an extensive manual

Coulomb interactions in charged fluids.

Science.gov (United States)

Vernizzi, Graziano; Guerrero-García, Guillermo Iván; de la Cruz, Monica Olvera

2011-07-01

The use of Ewald summation schemes for calculating long-range Coulomb interactions, originally applied to ionic crystalline solids, is a very common practice in molecular simulations of charged fluids at present. Such a choice imposes an artificial periodicity which is generally absent in the liquid state. In this paper we propose a simple analytical O(N(2)) method which is based on Gauss's law for computing exactly the Coulomb interaction between charged particles in a simulation box, when it is averaged over all possible orientations of a surrounding infinite lattice. This method mitigates the periodicity typical of crystalline systems and it is suitable for numerical studies of ionic liquids, charged molecular fluids, and colloidal systems with Monte Carlo and molecular dynamics simulations.

Emittance simulation for a different electron bunch charges with upgraded PITZ setup

Energy Technology Data Exchange (ETDEWEB)

Vashchenko, Grygorii [DESY, Platanenallee 6, 15738 Zeuthen (Germany)

2013-07-01

The photo injector test facility at DESY, Zeuthen site (PITZ) was invented with an aim to develop, characterize and optimize the electron sources for linac driven free electron lasers like FLASH and European XFEL. As a prerequisite for a successful experimental emittance optimization, emittance dependencies on the majority of linac parameters have to be studied in simulations. Despite that the nominal electron bunch charge for the operation of FLASH and XFEL is 1nC, there is an interest of the community to operate with other bunch charges. Emittance dependencies on such machine parameters like laser spot size on the photo cathode, laser pulse length, gun launching phase, focusing solenoid current and first accelerating structure gradient are simulated for different electron bunch charges. Based on the simulations data the systematic errors caused by detuning of the different machine parameters from their optimum values are estimated.

Structural Arrangement of Water Molecules around Highly Charged Nanoparticles: Molecular Dynamics Simulation

International Nuclear Information System (INIS)

Kim, Eunae; Yeom, Min Sun

2014-01-01

Molecular dynamics simulations were performed to understand the structural arrangement of water molecules around highly charged nanoparticles under aqueous conditions. The effect of two highly charged nanoparticles on the solvation charge asymmetry has been examined. We calculated the radial distribution functions of the components of water molecules around nanoparticles which have four charge types at two different salt concentrations. Even though the distributions of water molecules surrounding a sodium ion and a chloride ion are hardly affected by the charges of nanoparticles and the salt concentrations, those around highly charged nanoparticles are strongly influenced by the charges of nanoparticles, but hardly by the charges of nanoparticles and salt concentrations. We find that the distributions of hydrogen atoms in water molecules around one highly charged nanoparticle are dependent on the magnitude of the nanoparticle charge

Simulation of space-charge effects in an ungated GEM-based TPC

Energy Technology Data Exchange (ETDEWEB)

Böhmer, F.V., E-mail: felix.boehmer@tum.de; Ball, M.; Dørheim, S.; Höppner, C.; Ketzer, B.; Konorov, I.; Neubert, S.; Paul, S.; Rauch, J.; Vandenbroucke, M.

2013-08-11

A fundamental limit to the application of Time Projection Chambers (TPCs) in high-rate experiments is the accumulation of slowly drifting ions in the active gas volume, which compromises the homogeneity of the drift field and hence the detector resolution. Conventionally, this problem is overcome by the use of ion-gating structures. This method, however, introduces large dead times and restricts trigger rates to a few hundred per second. The ion gate can be eliminated from the setup by the use of Gas Electron Multiplier (GEM) foils for gas amplification, which intrinsically suppress the backflow of ions. This makes the continuous operation of a TPC at high rates feasible. In this work, Monte Carlo simulations of the buildup of ion space charge in a GEM-based TPC and the correction of the resulting drift distortions are discussed, based on realistic numbers for the ion backflow in a triple-GEM amplification stack. A TPC in the future P{sup ¯}ANDA experiment at FAIR serves as an example for the experimental environment. The simulations show that space charge densities up to 65 fC cm{sup −3} are reached, leading to electron drift distortions of up to 10 mm. The application of a laser calibration system to correct these distortions is investigated. Based on full simulations of the detector physics and response, we show that it is possible to correct for the drift distortions and to maintain the good momentum resolution of the GEM-TPC.

Simulation of space-charge effects in an ungated GEM-based TPC

International Nuclear Information System (INIS)

Böhmer, F.V.; Ball, M.; Dørheim, S.; Höppner, C.; Ketzer, B.; Konorov, I.; Neubert, S.; Paul, S.; Rauch, J.; Vandenbroucke, M.

2013-01-01

A fundamental limit to the application of Time Projection Chambers (TPCs) in high-rate experiments is the accumulation of slowly drifting ions in the active gas volume, which compromises the homogeneity of the drift field and hence the detector resolution. Conventionally, this problem is overcome by the use of ion-gating structures. This method, however, introduces large dead times and restricts trigger rates to a few hundred per second. The ion gate can be eliminated from the setup by the use of Gas Electron Multiplier (GEM) foils for gas amplification, which intrinsically suppress the backflow of ions. This makes the continuous operation of a TPC at high rates feasible. In this work, Monte Carlo simulations of the buildup of ion space charge in a GEM-based TPC and the correction of the resulting drift distortions are discussed, based on realistic numbers for the ion backflow in a triple-GEM amplification stack. A TPC in the future P ¯ ANDA experiment at FAIR serves as an example for the experimental environment. The simulations show that space charge densities up to 65 fC cm −3 are reached, leading to electron drift distortions of up to 10 mm. The application of a laser calibration system to correct these distortions is investigated. Based on full simulations of the detector physics and response, we show that it is possible to correct for the drift distortions and to maintain the good momentum resolution of the GEM-TPC

Application of real space Kerker method in simulating gate-all-around nanowire transistors with realistic discrete dopants*

International Nuclear Information System (INIS)

Li Chang-Sheng; Ma Lei; Guo Jie-Rong

2017-01-01

We adopt a self-consistent real space Kerker method to prevent the divergence from charge sloshing in the simulating transistors with realistic discrete dopants in the source and drain regions. The method achieves efficient convergence by avoiding unrealistic long range charge sloshing but keeping effects from short range charge sloshing. Numerical results show that discrete dopants in the source and drain regions could have a bigger influence on the electrical variability than the usual continuous doping without considering charge sloshing. Few discrete dopants and the narrow geometry create a situation with short range Coulomb screening and oscillations of charge density in real space. The dopants induced quasi-localized defect modes in the source region experience short range oscillations in order to reach the drain end of the device. The charging of the defect modes and the oscillations of the charge density are identified by the simulation of the electron density. (paper)

Generation of initial kinetic distributions for simulation of long-pulse charged particle beams with high space-charge intensity

Directory of Open Access Journals (Sweden)

Steven M. Lund

2009-11-01

Full Text Available Self-consistent Vlasov-Poisson simulations of beams with high space-charge intensity often require specification of initial phase-space distributions that reflect properties of a beam that is well adapted to the transport channel—both in terms of low-order rms (envelope properties as well as the higher-order phase-space structure. Here, we first review broad classes of kinetic distributions commonly in use as initial Vlasov distributions in simulations of unbunched or weakly bunched beams with intense space-charge fields including the following: the Kapchinskij-Vladimirskij (KV equilibrium, continuous-focusing equilibria with specific detailed examples, and various nonequilibrium distributions, such as the semi-Gaussian distribution and distributions formed from specified functions of linear-field Courant-Snyder invariants. Important practical details necessary to specify these distributions in terms of standard accelerator inputs are presented in a unified format. Building on this presentation, a new class of approximate initial kinetic distributions are constructed using transformations that preserve linear focusing, single-particle Courant-Snyder invariants to map initial continuous-focusing equilibrium distributions to a form more appropriate for noncontinuous focusing channels. Self-consistent particle-in-cell simulations are employed to show that the approximate initial distributions generated in this manner are better adapted to the focusing channels for beams with high space-charge intensity. This improved capability enables simulations that more precisely probe intrinsic stability properties and machine performance.

A Generalized Boltzmann Fokker-Planck Method for Coupled Charged Particle Transport

Energy Technology Data Exchange (ETDEWEB)

Prinja, Anil K

2012-01-09

The goal of this project was to develop and investigate the performance of reduced-physics formulations of high energy charged particle (electrons, protons and heavier ions) transport that are computationally more efficient than not only analog Monte Carlo methods but also the established condensed history Monte Carlo technique. Charged particles interact with matter by Coulomb collisions with target nuclei and electrons, by bremsstrahlung radiation loss and by nuclear reactions such as spallation and fission. Of these, inelastic electronic collisions and elastic nuclear collisions are the dominant cause of energy-loss straggling and angular deflection or range straggling of a primary particle. These collisions are characterized by extremely short mean free paths (sub-microns) and highly peaked, near-singular differential cross sections about forward directions and zero energy loss, with the situation for protons and heavier ions more extreme than for electrons. For this reason, analog or truephysics single-event Monte Carlo simulation, while possible in principle, is computationally prohibitive for routine calculation of charged particle interaction phenomena.

Numerical simulation of the motion of charged suspended particle in multi-phase flow

Energy Technology Data Exchange (ETDEWEB)

Abd Elkhalek, M M [Nuclear Research Center-Atomic Energy Authority, Cairo (Egypt)

1997-12-31

A method for computing numerical simulation of the motion of charged suspended particle in multi-phase flow between two-long parallel plates is described in detail. The equation of motion of a suspended particle was suggested by closkin. The equations of motion are reduced to ordinary differential equations by similarity transformations and solved numerically by using Runge-Kutta method. The trajectories of particles are calculated by integrating the equation of motion of a single particle. Numerical solutions of the resulting ordinary differential equations provide velocity distributions for both fluid and solid phases and density distributions for the solid. The present simulation requires some empirical parameters concerning the collision of the particles with the wall. Some typical results for both fluid and particle phases and density distributions of the particles are presented graphically. 4 figs.

Numerical Simulation of the Motion of Charged Suspended Particle in Multi-Phase Flow

International Nuclear Information System (INIS)

Abd-El Khalek, M.M.

1998-01-01

A method for computing Numerical simulation of the motion of charged suspended particle in multi-phase flow between two-long parallel plates is described in detail. The equation of motion of a suspended particle was suggested by Closkin. The equations of motion are reduced to ordinary differential equations by similarity transformations and solved numerically by using the Runge-Kutta method. The trajectories of particles are calculated by integrating the equation of motion of a single particle. Numerical solutions of the resulting ordinary differential equations provide velocity distributions for both fluid and solid phases and density distributions for the solid. The present simulation requires some empirical parameters concerning the collision of the particles with the wall. Some typical results for both fluid and particle phases and density distributions of the particles are presented graphically

Portable refrigerant charge meter and method for determining the actual refrigerant charge in HVAC systems

Science.gov (United States)

Gao, Zhiming; Abdelaziz, Omar; LaClair, Tim L.

2017-08-08

A refrigerant charge meter and a method for determining the actual refrigerant charge in HVAC systems are described. The meter includes means for determining an optimum refrigerant charge from system subcooling and system component parameters. The meter also includes means for determining the ratio of the actual refrigerant charge to the optimum refrigerant charge. Finally, the meter includes means for determining the actual refrigerant charge from the optimum refrigerant charge and the ratio of the actual refrigerant charge to the optimum refrigerant charge.

Simulation study of pixel detector charge digitization

Science.gov (United States)

Wang, Fuyue; Nachman, Benjamin; Sciveres, Maurice; Lawrence Berkeley National Laboratory Team

2017-01-01

Reconstruction of tracks from nearly overlapping particles, called Tracking in Dense Environments (TIDE), is an increasingly important component of many physics analyses at the Large Hadron Collider as signatures involving highly boosted jets are investigated. TIDE makes use of the charge distribution inside a pixel cluster to resolve tracks that share one of more of their pixel detector hits. In practice, the pixel charge is discretized using the Time-over-Threshold (ToT) technique. More charge information is better for discrimination, but more challenging for designing and operating the detector. A model of the silicon pixels has been developed in order to study the impact of the precision of the digitized charge distribution on distinguishing multi-particle clusters. The output of the GEANT4-based simulation is used to train neutral networks that predict the multiplicity and location of particles depositing energy inside one cluster of pixels. By studying the multi-particle cluster identification efficiency and position resolution, we quantify the trade-off between the number of ToT bits and low-level tracking inputs. As both ATLAS and CMS are designing upgraded detectors, this work provides guidance for the pixel module designs to meet TIDE needs. Work funded by the China Scholarship Council and the Office of High Energy Physics of the U.S. Department of Energy under contract DE-AC02-05CH11231.

Molecular Simulation Results on Charged Carbon Nanotube Forest-Based Supercapacitors.

Science.gov (United States)

Muralidharan, Ajay; Pratt, Lawrence R; Hoffman, Gary G; Chaudhari, Mangesh I; Rempe, Susan B

2018-05-03

Electrochemical double-layer capacitances of charged carbon nanotube (CNT) forests with tetraethyl ammonium tetrafluoro borate electrolyte in propylene carbonate are studied on the basis of molecular dynamics simulation. Direct molecular simulation of the filling of pore spaces of the forest is feasible even with realistic, small CNT spacings. The numerical solution of the Poisson equation based on the extracted average charge densities then yields a regular experimental dependence on the width of the pore spaces, in contrast to the anomalous pattern observed in experiments on other carbon materials and also in simulations on planar slot-like pores. The capacitances obtained have realistic magnitudes but are insensitive to electric potential differences between the electrodes in this model. This agrees with previous calculations on CNT forest supercapacitors, but not with experiments which have suggested electrochemical doping for these systems. Those phenomena remain for further theory/modeling work. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Laboratory simulation of charge exchange-produced X-ray emission from comets.

Science.gov (United States)

Beiersdorfer, P; Boyce, K R; Brown, G V; Chen, H; Kahn, S M; Kelley, R L; May, M; Olson, R E; Porter, F S; Stahle, C K; Tillotson, W A

2003-06-06

In laboratory experiments using the engineering spare microcalorimeter detector from the ASTRO-E satellite mission, we recorded the x-ray emission of highly charged ions of carbon, nitrogen, and oxygen, which simulates charge exchange reactions between heavy ions in the solar wind and neutral gases in cometary comae. The spectra are complex and do not readily match predictions. We developed a charge exchange emission model that successfully reproduces the soft x-ray spectrum of comet Linear C/1999 S4, observed with the Chandra X-ray Observatory.

Simulation of the interaction of positively charged beams and electron clouds

International Nuclear Information System (INIS)

Markovik, Aleksandar

2013-01-01

The incoherent (head-tail) effect on the bunch due to the interaction with electron clouds (e-clouds) leads to a blow up of the transverse beam size in storage rings operating with positively charged beams. Even more the e-cloud effects are considered to be the main limiting factor for high current, high-brightness or high-luminosity operation of future machines. Therefore the simulation of e-cloud phenomena is a highly active field of research. The main focus in this work was set to a development of a tool for simulation of the interaction of relativistic bunches with non-relativistic parasitic charged particles. The result is the Particle-In-Cell Program MOEVE PIC Tracking which can track a 3D bunch under the influence of its own and external electromagnetic fields but first and foremost it simulates the interaction of relativistic positively charged bunches and initially static electrons. In MOEVE PIC Tracking the conducting beam pipe can be modeled with an arbitrary elliptical cross-section to achieve more accurate space charge field computations for both the bunch and the e-cloud. The simulation of the interaction between positron bunches and electron clouds in this work gave a detailed insight of the behavior of both particle species during and after the interaction. Further and ultimate goal of this work was a fast estimation of the beam stability under the influence of e-clouds in the storage ring. The standard approach to simulate the stability of a single bunch is to track the bunch particles through the linear optics of the machine by multiplying the 6D vector of each particle with the transformation matrices describing the lattice. Thereby the action of the e-cloud on the bunch is approximated by a pre-computed wake kick which is applied on one or more points in the lattice. Following the idea of K.Ohmi the wake kick was pre-computed as a two variable function of the bunch part exiting the e-cloud and the subsequent parts of a bunch which receive a

Simulation of distributed parameter system consisting of charged and neutral particles

International Nuclear Information System (INIS)

Grover, P.S.; Sinha, K.V.

1986-01-01

The time-dependent behavior of positively charged light particles have been simulated in an assembly of heavy gas atoms. The system is formulated in terms of partial differential equation. The stability and convergence of the numerical algorithm has been examined. Using this formulation effects of external electric field and temperature have been investigated on the lifetime and distribution function characteristics of charged particles

Simulation of the Universal-Time Diurnal Variation of the Global Electric Circuit Charging Rate

Science.gov (United States)

Mackerras, D.; Darvenzia, M.; Orville, R. E.; Williams, E. R.; Goodman, S. J.

1999-01-01

A global lightning model that includes diurnal and annual lightning variation, and total flash density versus latitude for each major land and ocean, has been used as the basis for simulating the global electric circuit charging rate. A particular objective has been to reconcile the difference in amplitude ratios [AR=(max-min)/mean] between global lightning diurnal variation (AR approx. = 0.8) and the diurnal variation of typical atmospheric potential gradient curves (AR approx. = 0.35). A constraint on the simulation is that the annual mean charging current should be about 1000 A. The global lightning model shows that negative ground flashes can contribute, at most, about 10-15% of the required current. For the purpose of the charging rate simulation, it was assumed that each ground flash contributes 5 C to the charging process. It was necessary to assume that all electrified clouds contribute to charging by means other than lightning, that the total flash rate can serve as an indirect indicator of the rate of charge transfer, and that oceanic electrified clouds contribute to charging even though they are relatively inefficient in producing lightning. It was also found necessary to add a diurnally invariant charging current component. By trial and error it was found that charging rate diurnal variation curves in Universal time (UT) could be produced with amplitude ratios and general shapes similar to those of the potential gradient diurnal variation curves measured over ocean and arctic regions during voyages of the Carnegie Institute research vessels.

Space charge and magnet error simulations for the SNS accumulator ring

International Nuclear Information System (INIS)

Beebe-Wang, J.; Fedotov, A.V.; Wei, J.; Machida, S.

2000-01-01

The effects of space charge forces and magnet errors in the beam of the Spallation Neutron Source (SNS) accumulator ring are investigated. In this paper, the focus is on the emittance growth and halo/tail formation in the beam due to space charge with and without magnet errors. The beam properties of different particle distributions resulting from various injection painting schemes are investigated. Different working points in the design of SNS accumulator ring lattice are compared. The simulations in close-to-resonance condition in the presence of space charge and magnet errors are presented. (author)

Three-dimensional Finite Elements Method simulation of Total Ionizing Dose in 22 nm bulk nFinFETs

Energy Technology Data Exchange (ETDEWEB)

Chatzikyriakou, Eleni, E-mail: ec3g12@soton.ac.uk; Potter, Kenneth; Redman-White, William; De Groot, C.H.

2017-02-15

Highlights: • Simulation of Total Ionizing Dose using the Finite Elements Method. • Carrier generation, transport and trapping in the oxide. • Application in three-dimensional bulk FinFET model of 22 nm node. • Examination of trapped charge in the Shallow Trench Isolation. • Trapped charge dependency of parasitic transistor current. - Abstract: Finite Elements Method simulation of Total Ionizing Dose effects on 22 nm bulk Fin Field Effect Transistor (FinFET) devices using the commercial software Synopsys Sentaurus TCAD is presented. The simulation parameters are extracted by calibrating the charge trapping model to experimental results on 400 nm SiO{sub 2} capacitors irradiated under zero bias. The FinFET device characteristics are calibrated to the Intel 22 nm bulk technology. Irradiation simulations of the transistor performed with all terminals unbiased reveal increased hardness up to a total dose of 1 MRad(SiO{sub 2}).

SELF-CONSISTENT LANGEVIN SIMULATION OF COULOMB COLLISIONS IN CHARGED-PARTICLE BEAMS

International Nuclear Information System (INIS)

QIANG, J.; RYNE, R.; HABIB, S.

2000-01-01

In many plasma physics and charged-particle beam dynamics problems, Coulomb collisions are modeled by a Fokker-Planck equation. In order to incorporate these collisions, we present a three-dimensional parallel Langevin simulation method using a Particle-In-Cell (PIC) approach implemented on high-performance parallel computers. We perform, for the first time, a fully self-consistent simulation, in which the FR-iction and diffusion coefficients are computed FR-om first principles. We employ a two-dimensional domain decomposition approach within a message passing programming paradigm along with dynamic load balancing. Object oriented programming is used to encapsulate details of the communication syntax as well as to enhance reusability and extensibility. Performance tests on the SGI Origin 2000 and the Cray T3E-900 have demonstrated good scalability. Work is in progress to apply our technique to intrabeam scattering in accelerators

Parallel Finite Element Particle-In-Cell Code for Simulations of Space-charge Dominated Beam-Cavity Interactions

International Nuclear Information System (INIS)

Candel, A.; Kabel, A.; Ko, K.; Lee, L.; Li, Z.; Limborg, C.; Ng, C.; Prudencio, E.; Schussman, G.; Uplenchwar, R.

2007-01-01

Over the past years, SLAC's Advanced Computations Department (ACD) has developed the parallel finite element (FE) particle-in-cell code Pic3P (Pic2P) for simulations of beam-cavity interactions dominated by space-charge effects. As opposed to standard space-charge dominated beam transport codes, which are based on the electrostatic approximation, Pic3P (Pic2P) includes space-charge, retardation and boundary effects as it self-consistently solves the complete set of Maxwell-Lorentz equations using higher-order FE methods on conformal meshes. Use of efficient, large-scale parallel processing allows for the modeling of photoinjectors with unprecedented accuracy, aiding the design and operation of the next-generation of accelerator facilities. Applications to the Linac Coherent Light Source (LCLS) RF gun are presented

Discrete element method modeling of the triboelectric charging of polyethylene particles: Can particle size distribution and segregation reduce the charging?

International Nuclear Information System (INIS)

Konopka, Ladislav; Kosek, Juraj

2015-01-01

Polyethylene particles of various sizes are present in industrial gas-dispersion reactors and downstream processing units. The contact of the particles with a device wall as well as the mutual particle collisions cause electrons on the particle surface to redistribute in the system. The undesirable triboelectric charging results in several operational problems and safety risks in industrial systems, for example in the fluidized-bed polymerization reactor. We studied the charging of polyethylene particles caused by the particle-particle interactions in gas. Our model employs the Discrete Element Method (DEM) describing the particle dynamics and incorporates the ‘Trapped Electron Approach’ as the physical basis for the considered charging mechanism. The model predicts the particle charge distribution for systems with various particle size distributions and various level of segregation. Simulation results are in a qualitative agreement with experimental observations of similar particulate systems specifically in two aspects: 1) Big particles tend to gain positive charge and small particles the negative one. 2) The wider the particle size distribution is, the more pronounced is the charging process. Our results suggest that not only the size distribution, but also the effect of the spatial segregation of the polyethylene particles significantly influence the resulting charge distribution ‘generated’ in the system. The level of particle segregation as well as the particle size distribution of polyethylene particles can be in practice adjusted by the choice of supported catalysts, by the conditions in the fluidized-bed polymerization reactor and by the fluid dynamics. We also attempt to predict how the reactor temperature affects the triboelectric charging of particles. (paper)

Simulation of the charge ratio of cosmic ray muons in extensive air showers using CORSIKA

Energy Technology Data Exchange (ETDEWEB)

Ochilo, Livingstone [University of Siegen (Germany); Kenyatta University, Nairobi (Kenya); Hashim, Nadir; Okumu, John [Kenyatta University, Nairobi (Kenya)

2013-07-01

The interaction of primary cosmic rays in the atmosphere produces, among other particles, pions and kaons. They decay to muons, which form an important component of extensive air showers. The ratio of positively to negatively charged muons, called the muon charge ratio, provides important information about the cosmic ray interactions in the atmosphere. In this study, the theoretical hadronic interaction models in the cosmic ray simulation code CORSIKA have been used to study the charge ratio of cosmic ray muons simulated in extensive air showers. An East - West effect on the charge ratio of simulated cosmic ray muons is observed. It is more pronounced for inclined and low-energy muons (momentum less than 100 GeV/c and zenith angle greater than 80 ). Experimental data from ''MINOS Near'' experiment gives similar results.

Application of Gauss's law space-charge limited emission model in iterative particle tracking method

Energy Technology Data Exchange (ETDEWEB)

Altsybeyev, V.V., E-mail: v.altsybeev@spbu.ru; Ponomarev, V.A.

2016-11-01

The particle tracking method with a so-called gun iteration for modeling the space charge is discussed in the following paper. We suggest to apply the emission model based on the Gauss's law for the calculation of the space charge limited current density distribution using considered method. Based on the presented emission model we have developed a numerical algorithm for this calculations. This approach allows us to perform accurate and low time consumpting numerical simulations for different vacuum sources with the curved emitting surfaces and also in the presence of additional physical effects such as bipolar flows and backscattered electrons. The results of the simulations of the cylindrical diode and diode with elliptical emitter with the use of axysimmetric coordinates are presented. The high efficiency and accuracy of the suggested approach are confirmed by the obtained results and comparisons with the analytical solutions.

Simulations of charge summing and threshold dispersion effects in Medipix3

International Nuclear Information System (INIS)

Pennicard, D.; Ballabriga, R.; Llopart, X.; Campbell, M.; Graafsma, H.

2011-01-01

A novel feature of the Medipix3 photon-counting pixel readout chip is inter-pixel communication. By summing together the signals from neighbouring pixels at a series of 'summing nodes', and assigning each hit to the node with the highest signal, the chip can compensate for charge-sharing effects. However, previous experimental tests have demonstrated that the node-to-node variation in the detector's response is very large. Using computer simulations, it is shown that this variation is due to threshold dispersion, which results in many hits being assigned to whichever summing node in the vicinity has the lowest threshold level. A reduction in threshold variation would attenuate but not solve this issue. A new charge summing and hit assignment process is proposed, where the signals in individual pixels are used to determine the hit location, and then signals from neighbouring pixels are summed to determine whether the total photon energy is above threshold. In simulation, this new mode accurately assigns each hit to the pixel with the highest pulse height without any losses or double counting. - Research highlights: → Medipix3 readout chip compensates charge sharing using inter-pixel communication. → In initial production run, the flat-field response is unexpectedly nonuniform. → This effect is reproduced in simulation, and is caused by threshold dispersion. → A new inter-pixel communication process is proposed. → Simulations demonstrate the new process should give much better uniformity.

Simulation of space charge effects and transition crossing in the Fermilab Booster

International Nuclear Information System (INIS)

Lucas, P.; MacLachlan, J.

1987-03-01

The longitudinal phase space program ESME, modified for space charge and wall impedance effects, has been used to simulate transition crossing in the Fermilab Booster. The simulations yield results in reasonable quantitative agreement with measured parameters. They further indicate that a transition jump scheme currently under construction will significantly reduce emittance growth, while attempts to alter machine impedance are less obviously beneficial. In addition to presenting results, this paper points out a serious difficulty, related to statistical fluctuations, in the space charge calculation. False indications of emittance growth can appear if care is not taken to minimize this problem

A mixed finite element method for particle simulation in lasertron

International Nuclear Information System (INIS)

Le Meur, G.

1987-03-01

A particle simulation code is being developed with the aim to treat the motion of charged particles in electromagnetic devices, such as Lasertron. The paper describes the use of mixed finite element methods in computing the field components, without derivating them from scalar or vector potentials. Graphical results are shown

A mixed finite element method for particle simulation in Lasertron

International Nuclear Information System (INIS)

Le Meur, G.

1987-01-01

A particle simulation code is being developed with the aim to treat the motion of charged particles in electromagnetic devices, such as Lasertron. The paper describes the use of mixed finite element methods in computing the field components, without derivating them from scalar or vector potentials. Graphical results are shown

Theory and Simulation of the Physics of Space Charge Dominated Beams

International Nuclear Information System (INIS)

Haber, Irving

2002-01-01

This report describes modeling of intense electron and ion beams in the space charge dominated regime. Space charge collective modes play an important role in the transport of intense beams over long distances. These modes were first observed in particle-in-cell simulations. The work presented here is closely tied to the University of Maryland Electron Ring (UMER) experiment and has application to accelerators for heavy ion beam fusion

Charging method of water hole with ANFO explosive

Energy Technology Data Exchange (ETDEWEB)

Shimizu, Susumu

1988-02-28

It has been investigated how to charge a water hole with an inexpensive explosive for blasting. An experiment was made using the combination of a plasticized resin hose and the ANFO charger as the method for making the most of the ANFO explosive aiming at charging a hole with the explosive at a low cost without damaging the hole wall. The experimental result indicates that any water hole with spring water can be charged with the explosive using the ANFO charger combined with the plasticized resin hose. The method is superior to conventional methods in cost and workability because the working atmosphere is not aggravated and the hole wall is not damaged without using an expensive vacuum collector. Charging a blasting hole 165 mm or less in diameter with the explosive will be investigated for commercialization in future. (4 figs)

System and method for charging a plug-in electric vehicle

Science.gov (United States)

Bassham, Marjorie A.; Spigno, Jr., Ciro A.; Muller, Brett T.; Newhouse, Vernon L.

2017-05-02

A charging system and method that may be used to automatically apply customized charging settings to a plug-in electric vehicle, where application of the settings is based on the vehicle's location. According to an exemplary embodiment, a user may establish and save a separate charging profile with certain customized charging settings for each geographic location where they plan to charge their plug-in electric vehicle. Whenever the plug-in electric vehicle enters a new geographic area, the charging method may automatically apply the charging profile that corresponds to that area. Thus, the user does not have to manually change or manipulate the charging settings every time they charge the plug-in electric vehicle in a new location.

Computer simulation study of water using a fluctuating charge model

Indian Academy of Sciences (India)

Unknown

Typically, the simulated diffusion constants are larger, and relaxation times smaller than .... where λi is the Lagrange multiplier for the charge neutrality constraint. As the .... For a geometrically rigid model such as SPC, the integral turns out to ...

Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem

OpenAIRE

Berti, Claudio; Gillespie, Dirk; Eisenberg, Robert S; Fiegna, Claudio

2012-01-01

The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous...

PATH: a lumped-element beam-transport simulation program with space charge

International Nuclear Information System (INIS)

Farrell, J.A.

1983-01-01

PATH is a group of computer programs for simulating charged-particle beam-transport systems. It was developed for evaluating the effects of some aberrations without a time-consuming integration of trajectories through the system. The beam-transport portion of PATH is derived from the well-known program, DECAY TURTLE. PATH contains all features available in DECAY TURTLE (including the input format) plus additional features such as a more flexible random-ray generator, longitudinal phase space, some additional beamline elements, and space-charge routines. One of the programs also provides a simulation of an Alvarez linear accelerator. The programs, originally written for a CDC 7600 computer system, also are available on a VAX-VMS system. All of the programs are interactive with input prompting for ease of use

Space-Charge Effect

International Nuclear Information System (INIS)

Chauvin, N

2013-01-01

First, this chapter introduces the expressions for the electric and magnetic space-charge internal fields and forces induced by high-intensity beams. Then, the root-mean-square equation with space charge is derived and discussed. In the third section, the one-dimensional Child-Langmuir law, which gives the maximum current density that can be extracted from an ion source, is exposed. Space-charge compensation can occur in the low-energy beam transport lines (located after the ion source). This phenomenon, which counteracts the spacecharge defocusing effect, is explained and its main parameters are presented. The fifth section presents an overview of the principal methods to perform beam dynamics numerical simulations. An example of a particles-in-cells code, SolMaxP, which takes into account space-charge compensation, is given. Finally, beam dynamics simulation results obtained with this code in the case of the IFMIF injector are presented. (author)

Space-Charge Effect

CERN Document Server

Chauvin, N.

2013-12-16

First, this chapter introduces the expressions for the electric and magnetic space-charge internal fields and forces induced by high-intensity beams. Then, the root-mean-square equation with space charge is derived and discussed. In the third section, the one-dimensional Child-Langmuir law, which gives the maximum current density that can be extracted from an ion source, is exposed. Space-charge compensation can occur in the low-energy beam transport lines (located after the ion source). This phenomenon, which counteracts the spacecharge defocusing effect, is explained and its main parameters are presented. The fifth section presents an overview of the principal methods to perform beam dynamics numerical simulations. An example of a particles-in-cells code, SolMaxP, which takes into account space-charge compensation, is given. Finally, beam dynamics simulation results obtained with this code in the case of the IFMIF injector are presented.

Design and simulation of advanced charge recovery piezoactuator drivers

International Nuclear Information System (INIS)

Biancuzzi, G; Lemke, T; Woias, P; Goldschmidtboeing, F; Ruthmann, O; Schrag, H J; Vodermayer, B; Schmid, T

2010-01-01

The German Artificial Sphincter System project aims at the development of an implantable sphincter prosthesis driven by a piezoelectrically actuated micropump. The system has been designed to be fully implantable, i.e. the power supply is provided by a rechargeable lithium polymer battery. In order to provide sufficient battery duration and to limit battery dimensions, special effort has to be made to minimize power consumption of the whole system and, in particular, of the piezoactuator driver circuitry. Inductive charge recovery can be used to recover part of the charge stored within the actuator. We are going to present a simplified inductor-based circuit capable of voltage inversion across the actuator without the need of an additional negative voltage source. The dimension of the inductors required for such a concept is nevertheless significant. We therefore present a novel alternative concept, called direct switching, where the equivalent capacitance of the actuator is charged directly by a step-up converter and discharged by a step-down converter. We achieved superior performance compared to a simple inductor-based driver with the advantage of using small-size chip inductors. As a term of comparison, the performance of the aforementioned drivers is compared to a conventional driver that does not implement any charge recovery technique. With our design we have been able to achieve more than 50% reduction in power consumption compared to the simplest conventional driver. The new direct switching driver performs 15% better than an inductor-based driver. A novel, whole-system SPICE simulation is presented, where both the driving circuit and the piezoactuator are modeled making use of advanced nonlinear models. Such a simulation is a precious tool to design and optimize piezoactuator drivers

Charge Management Optimization for Future TOU Rates: Preprint

Energy Technology Data Exchange (ETDEWEB)

Zhang, Jiucai; Markel, Tony

2016-07-01

The effectiveness of future time of use (TOU) rates to enable managed charging for providing demand response depends on the vehicle's flexibility and the benefits to owners. This paper adopts opportunity, delayed, and smart charging methods to quantify these impacts, flexibilities, and benefits. Simulation results show that delayed and smart charging methods can shift most charging events to lower TOU rate periods without compromising the charged energy and individual driver mobility needs.

Geant4-based simulations of charge collection in CMOS Active Pixel Sensors

International Nuclear Information System (INIS)

Esposito, M.; Allinson, N.M.; Price, T.; Anaxagoras, T.

2017-01-01

Geant4 is an object-oriented toolkit for the simulation of the interaction of particles and radiation with matter. It provides a snapshot of the state of a simulated particle in time, as it travels through a specified geometry. One important area of application is the modelling of radiation detector systems. Here, we extend the abilities of such modelling to include charge transport and sharing in pixelated CMOS Active Pixel Sensors (APSs); though similar effects occur in other pixel detectors. The CMOS APSs discussed were developed in the framework of the PRaVDA consortium to assist the design of custom sensors to be used in an energy-range detector for proton Computed Tomography (pCT). The development of ad-hoc classes, providing a charge transport model for a CMOS APS and its integration into the standard Geant4 toolkit, is described. The proposed charge transport model includes, charge generation, diffusion, collection, and sharing across adjacent pixels, as well as the full electronic chain for a CMOS APS. The proposed model is validated against experimental data acquired with protons in an energy range relevant for pCT.

Study of charge-carrier relaxation in a disordered organic semiconductor by simulating impedance spectroscopy

NARCIS (Netherlands)

Mesta, M.; Cottaar, J.; Coehoorn, R.; Bobbert, P.A.

2014-01-01

Impedance spectroscopy is a very sensitive probe of nonstationary charge transport governed by charge-carrier relaxation in devices of disordered organic semiconductors. We simulate impedance spectroscopy measurements of hole-only devices of a polyfluorene-based disordered organic semiconductor by

Methods for producing thin film charge selective transport layers

Science.gov (United States)

Hammond, Scott Ryan; Olson, Dana C.; van Hest, Marinus Franciscus Antonius Maria

2018-01-02

Methods for producing thin film charge selective transport layers are provided. In one embodiment, a method for forming a thin film charge selective transport layer comprises: providing a precursor solution comprising a metal containing reactive precursor material dissolved into a complexing solvent; depositing the precursor solution onto a surface of a substrate to form a film; and forming a charge selective transport layer on the substrate by annealing the film.

Charge conserving current deposition scheme for PIC simulations in modified spherical coordinates

Science.gov (United States)

Cruz, F.; Grismayer, T.; Fonseca, R. A.; Silva, L. O.

2017-10-01

Global models of pulsar magnetospheres have been actively pursued in recent years. Both macro and microscopic (PIC) descriptions have been used, showing that collective processes of e-e + plasmas dominate the global structure of pulsar magnetospheres. Since these systems are best described in spherical coordinates, the algorithms used in cartesian simulations must be generalized. A problem of particular interest is that of charge conservation in PIC simulations. The complex geometry and irregular grids used to improve the efficiency of these algorithms represent major challenges in the design of a charge conserving scheme. Here we present a new first-order current deposition scheme for a 2D axisymmetric, log-spaced radial grid, that rigorously conserves charge. We benchmark this scheme in different scenarios, by integrating it with a spherical Yee scheme and Boris/Vay pushers. The results show that charge is conserved to machine precision, making it unnecessary to correct the electric field to guarantee charge conservation. This scheme will be particularly important for future studies aiming to bridge the microscopic physical processes of e-e + plasma generation due to QED cascades, its self-consistent acceleration and radiative losses to the global dynamics of pulsar magnetospheres. Work supported by the European Research Council (InPairs ERC-2015-AdG 695088), FCT (Portugal) Grant PD/BD/114307/2016, and the Calouste Gulbenkian Foundation through the 2016 Scientific Research Stimulus Program.

Evaluation of Model Based State of Charge Estimation Methods for Lithium-Ion Batteries

Directory of Open Access Journals (Sweden)

Zhongyue Zou

2014-08-01

Full Text Available Four model-based State of Charge (SOC estimation methods for lithium-ion (Li-ion batteries are studied and evaluated in this paper. Different from existing literatures, this work evaluates different aspects of the SOC estimation, such as the estimation error distribution, the estimation rise time, the estimation time consumption, etc. The equivalent model of the battery is introduced and the state function of the model is deduced. The four model-based SOC estimation methods are analyzed first. Simulations and experiments are then established to evaluate the four methods. The urban dynamometer driving schedule (UDDS current profiles are applied to simulate the drive situations of an electrified vehicle, and a genetic algorithm is utilized to identify the model parameters to find the optimal parameters of the model of the Li-ion battery. The simulations with and without disturbance are carried out and the results are analyzed. A battery test workbench is established and a Li-ion battery is applied to test the hardware in a loop experiment. Experimental results are plotted and analyzed according to the four aspects to evaluate the four model-based SOC estimation methods.

Probabilistic Harmonic Calculation in Distribution Networks with Electric Vehicle Charging Stations

Directory of Open Access Journals (Sweden)

Jianxue Wang

2014-01-01

Full Text Available Integrating EV charging station into power grid will bring impacts on power system, among which the most significant one is the harmonic pollution on distribution networks. Due to the uncertainty of the EV charging process, the harmonic currents brought by EV charging stations have a random nature. This paper proposed a mathematical simulation method for studying the working status of charging stations, which considers influencing factors including random leaving factor, electricity price, and waiting time. Based on the proposed simulation method, the probability distribution of the harmonic currents of EV charging stations is obtained and used in the calculation of the probability harmonic power flow. Then the impacts of EVs and EV charging stations on distribution networks can be analyzed. In the case study, the proposed simulation and analysis method is implemented on the IEEE-34 distribution network. The influences of EV arrival rates, the penetration rate, and the accessing location of EV charging station are also investigated. Results show that this research has good potential in guiding the planning and construction of charging station.

An algorithm for three-dimensional Monte-Carlo simulation of charge distribution at biofunctionalized surfaces

KAUST Repository

Bulyha, Alena

2011-01-01

In this work, a Monte-Carlo algorithm in the constant-voltage ensemble for the calculation of 3d charge concentrations at charged surfaces functionalized with biomolecules is presented. The motivation for this work is the theoretical understanding of biofunctionalized surfaces in nanowire field-effect biosensors (BioFETs). This work provides the simulation capability for the boundary layer that is crucial in the detection mechanism of these sensors; slight changes in the charge concentration in the boundary layer upon binding of analyte molecules modulate the conductance of nanowire transducers. The simulation of biofunctionalized surfaces poses special requirements on the Monte-Carlo simulations and these are addressed by the algorithm. The constant-voltage ensemble enables us to include the right boundary conditions; the dna strands can be rotated with respect to the surface; and several molecules can be placed in a single simulation box to achieve good statistics in the case of low ionic concentrations relevant in experiments. Simulation results are presented for the leading example of surfaces functionalized with pna and with single- and double-stranded dna in a sodium-chloride electrolyte. These quantitative results make it possible to quantify the screening of the biomolecule charge due to the counter-ions around the biomolecules and the electrical double layer. The resulting concentration profiles show a three-layer structure and non-trivial interactions between the electric double layer and the counter-ions. The numerical results are also important as a reference for the development of simpler screening models. © 2011 The Royal Society of Chemistry.

Comparison of three-dimensional poisson solution methods for particle-based simulation and inhomogeneous dielectrics.

Science.gov (United States)

Berti, Claudio; Gillespie, Dirk; Bardhan, Jaydeep P; Eisenberg, Robert S; Fiegna, Claudio

2012-07-01

Particle-based simulation represents a powerful approach to modeling physical systems in electronics, molecular biology, and chemical physics. Accounting for the interactions occurring among charged particles requires an accurate and efficient solution of Poisson's equation. For a system of discrete charges with inhomogeneous dielectrics, i.e., a system with discontinuities in the permittivity, the boundary element method (BEM) is frequently adopted. It provides the solution of Poisson's equation, accounting for polarization effects due to the discontinuity in the permittivity by computing the induced charges at the dielectric boundaries. In this framework, the total electrostatic potential is then found by superimposing the elemental contributions from both source and induced charges. In this paper, we present a comparison between two BEMs to solve a boundary-integral formulation of Poisson's equation, with emphasis on the BEMs' suitability for particle-based simulations in terms of solution accuracy and computation speed. The two approaches are the collocation and qualocation methods. Collocation is implemented following the induced-charge computation method of D. Boda et al. [J. Chem. Phys. 125, 034901 (2006)]. The qualocation method is described by J. Tausch et al. [IEEE Transactions on Computer-Aided Design of Integrated Circuits and Systems 20, 1398 (2001)]. These approaches are studied using both flat and curved surface elements to discretize the dielectric boundary, using two challenging test cases: a dielectric sphere embedded in a different dielectric medium and a toy model of an ion channel. Earlier comparisons of the two BEM approaches did not address curved surface elements or semiatomistic models of ion channels. Our results support the earlier findings that for flat-element calculations, qualocation is always significantly more accurate than collocation. On the other hand, when the dielectric boundary is discretized with curved surface elements, the

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

Energy Technology Data Exchange (ETDEWEB)

Rocklin, Gabriel J. [Department of Pharmaceutical Chemistry, University of California San Francisco, 1700 4th St., San Francisco, California 94143-2550, USA and Biophysics Graduate Program, University of California San Francisco, 1700 4th St., San Francisco, California 94143-2550 (United States); Mobley, David L. [Departments of Pharmaceutical Sciences and Chemistry, University of California Irvine, 147 Bison Modular, Building 515, Irvine, California 92697-0001, USA and Department of Chemistry, University of New Orleans, 2000 Lakeshore Drive, New Orleans, Louisiana 70148 (United States); Dill, Ken A. [Laufer Center for Physical and Quantitative Biology, 5252 Stony Brook University, Stony Brook, New York 11794-0001 (United States); Hünenberger, Philippe H., E-mail: phil@igc.phys.chem.ethz.ch [Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH, 8093 Zürich (Switzerland)

2013-11-14

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges −5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol{sup −1}) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: An accurate correction scheme for electrostatic finite-size effects

Science.gov (United States)

Rocklin, Gabriel J.; Mobley, David L.; Dill, Ken A.; Hünenberger, Philippe H.

2013-11-01

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol-1) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB

Calculating the binding free energies of charged species based on explicit-solvent simulations employing lattice-sum methods: an accurate correction scheme for electrostatic finite-size effects.

Science.gov (United States)

Rocklin, Gabriel J; Mobley, David L; Dill, Ken A; Hünenberger, Philippe H

2013-11-14

The calculation of a protein-ligand binding free energy based on molecular dynamics (MD) simulations generally relies on a thermodynamic cycle in which the ligand is alchemically inserted into the system, both in the solvated protein and free in solution. The corresponding ligand-insertion free energies are typically calculated in nanoscale computational boxes simulated under periodic boundary conditions and considering electrostatic interactions defined by a periodic lattice-sum. This is distinct from the ideal bulk situation of a system of macroscopic size simulated under non-periodic boundary conditions with Coulombic electrostatic interactions. This discrepancy results in finite-size effects, which affect primarily the charging component of the insertion free energy, are dependent on the box size, and can be large when the ligand bears a net charge, especially if the protein is charged as well. This article investigates finite-size effects on calculated charging free energies using as a test case the binding of the ligand 2-amino-5-methylthiazole (net charge +1 e) to a mutant form of yeast cytochrome c peroxidase in water. Considering different charge isoforms of the protein (net charges -5, 0, +3, or +9 e), either in the absence or the presence of neutralizing counter-ions, and sizes of the cubic computational box (edges ranging from 7.42 to 11.02 nm), the potentially large magnitude of finite-size effects on the raw charging free energies (up to 17.1 kJ mol(-1)) is demonstrated. Two correction schemes are then proposed to eliminate these effects, a numerical and an analytical one. Both schemes are based on a continuum-electrostatics analysis and require performing Poisson-Boltzmann (PB) calculations on the protein-ligand system. While the numerical scheme requires PB calculations under both non-periodic and periodic boundary conditions, the latter at the box size considered in the MD simulations, the analytical scheme only requires three non-periodic PB

Modification of backgammon shape cathode and graded charge division readout method for a novel triple charge division centroid finding method

International Nuclear Information System (INIS)

Javanmardi, F.; Matoba, M.; Sakae, T.

1996-01-01

Triple Charge Division (TCD) centroid finding method that uses modified pattern of Backgammon Shape Cathode (MBSC) is introduced for medium range length position sensitive detectors with optimum numbers of cathode segments. MBSC pattern has three separated areas and uses saw tooth like insulator gaps for separating the areas. Side areas of the MBSC pattern are severed by a central common area. Size of the central area is twice of the size of both sides. Whereas central area is the widest area among three, both sides' areas have the main role in position sensing. With the same resolution and linearity, active region of original Backgammon pattern increases twice by using MBSC pattern, and with the same length, linearity of TCD centroid finding is much better than Backgammon charge division readout method. Linearity prediction of TCD centroid finding and experimental results conducted us to find an optimum truncation of the apices of MBCS pattern in the central area. The TCD centroid finding has an especial readout method since charges must be collected from two segments in both sides and from three segments in the central area of MBSC pattern. The so called Graded Charge Division (GCD) is the especial readout method for TCD. The GCD readout is a combination of the charge division readout and sequence grading of serial segments. Position sensing with TCD centroid finding and GCD readout were done by two sizes MBSC patterns (200mm and 80mm) and Spatial resolution about 1% of the detector length is achieved

Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview.

Science.gov (United States)

Riniker, Sereina

2018-03-26

In molecular dynamics or Monte Carlo simulations, the interactions between the particles (atoms) in the system are described by a so-called force field. The empirical functional form of classical fixed-charge force fields dates back to 1969 and remains essentially unchanged. In a fixed-charge force field, the polarization is not modeled explicitly, i.e. the effective partial charges do not change depending on conformation and environment. This simplification allows, however, a dramatic reduction in computational cost compared to polarizable force fields and in particular quantum-chemical modeling. The past decades have shown that simulations employing carefully parametrized fixed-charge force fields can provide useful insights into biological and chemical questions. This overview focuses on the four major force-field families, i.e. AMBER, CHARMM, GROMOS, and OPLS, which are based on the same classical functional form and are continuously improved to the present day. The overview is aimed at readers entering the field of (bio)molecular simulations. More experienced users may find the comparison and historical development of the force-field families interesting.

An FPGA computing demo core for space charge simulation

International Nuclear Information System (INIS)

Wu, Jinyuan; Huang, Yifei

2009-01-01

In accelerator physics, space charge simulation requires large amount of computing power. In a particle system, each calculation requires time/resource consuming operations such as multiplications, divisions, and square roots. Because of the flexibility of field programmable gate arrays (FPGAs), we implemented this task with efficient use of the available computing resources and completely eliminated non-calculating operations that are indispensable in regular micro-processors (e.g. instruction fetch, instruction decoding, etc.). We designed and tested a 16-bit demo core for computing Coulomb's force in an Altera Cyclone II FPGA device. To save resources, the inverse square-root cube operation in our design is computed using a memory look-up table addressed with nine to ten most significant non-zero bits. At 200 MHz internal clock, our demo core reaches a throughput of 200 M pairs/s/core, faster than a typical 2 GHz micro-processor by about a factor of 10. Temperature and power consumption of FPGAs were also lower than those of micro-processors. Fast and convenient, FPGAs can serve as alternatives to time-consuming micro-processors for space charge simulation.

An FPGA computing demo core for space charge simulation

Energy Technology Data Exchange (ETDEWEB)

Wu, Jinyuan; Huang, Yifei; /Fermilab

2009-01-01

In accelerator physics, space charge simulation requires large amount of computing power. In a particle system, each calculation requires time/resource consuming operations such as multiplications, divisions, and square roots. Because of the flexibility of field programmable gate arrays (FPGAs), we implemented this task with efficient use of the available computing resources and completely eliminated non-calculating operations that are indispensable in regular micro-processors (e.g. instruction fetch, instruction decoding, etc.). We designed and tested a 16-bit demo core for computing Coulomb's force in an Altera Cyclone II FPGA device. To save resources, the inverse square-root cube operation in our design is computed using a memory look-up table addressed with nine to ten most significant non-zero bits. At 200 MHz internal clock, our demo core reaches a throughput of 200 M pairs/s/core, faster than a typical 2 GHz micro-processor by about a factor of 10. Temperature and power consumption of FPGAs were also lower than those of micro-processors. Fast and convenient, FPGAs can serve as alternatives to time-consuming micro-processors for space charge simulation.

CASINO, a code for simulation of charged particles in an axisymmetric Tokamak

International Nuclear Information System (INIS)

Dillner, Oe.

1992-01-01

The present report comprises a documentation of CASINO, a simulation code developed as a means for the study of high energy charged particles in an axisymmetric Tokamak. The background of the need for such a numerical tool is presented. In the description of the numerical model used for the orbit integration, the method using constants of motion, the Lao-Hirsman geometry for the flux surfaces and a method for reducing the necessary number of particles is elucidated. A brief outline of the calculational sequence is given as a flow chart. The essential routines and functions as well as the common blocks are briefly described. The input and output routines are shown. Finally the documentation is completed by a short discussion of possible extensions of the code and a test case. (au)

Structure-charge mobility relation for hexabenzocoronene derivatives

Energy Technology Data Exchange (ETDEWEB)

Kirkpatrick, James [Max Planck Institute for Polymer Research, Ackermannweg 10, Mainz 55128 (Germany); Department of Physics, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Marcon, Valentina; Kremer, Kurt [Max Planck Institute for Polymer Research, Ackermannweg 10, Mainz 55128 (Germany); Nelson, Jenny [Department of Physics, Imperial College London, Prince Consort Road, London SW7 2BW (United Kingdom); Andrienko, Denis

2008-05-15

Charge mobilities of several derivatives of discotic liquid crystals have been determined by combining three methods into one scheme: (i) quantum chemical methods for the calculation of molecular electronic structures and reorganization energies (ii) molecular dynamics for simulation of the relative positions and orientations of molecules in a columnar mesophase, and (iii) kinetic Monte Carlo simulations and Master Equation approach to simulate charge transport. Applying this scheme to differently substituted hexabenzocoronene derivatives we reproduce the trends and magnitudes of mobilities as measured by pulse-radiolysis time-resolved microwave conductivity (PR-TRMC) and connect mobility directly to the microscopic morphology of the columns. Our study also shows that it is possible to understand and reproduce experimental charge transport parameters, and, in some cases, accurately predict them. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Hybrid finite element and Brownian dynamics method for charged particles

Energy Technology Data Exchange (ETDEWEB)

Huber, Gary A., E-mail: ghuber@ucsd.edu; Miao, Yinglong [Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093-0365 (United States); Zhou, Shenggao [Department of Mathematics and Mathematical Center for Interdiscipline Research, Soochow University, 1 Shizi Street, Suzhou, 215006 Jiangsu (China); Li, Bo [Department of Mathematics and Quantitative Biology Graduate Program, University of California, San Diego, 9500 Gilman Drive, La Jolla, California 92093-0112 (United States); McCammon, J. Andrew [Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093 (United States); Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, California 92093-0365 (United States); Department of Pharmacology, University of California San Diego, La Jolla, California 92093-0636 (United States)

2016-04-28

Diffusion is often the rate-determining step in many biological processes. Currently, the two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum methods, such as the finite element method. A previous study introduced a new hybrid diffusion method that couples the strengths of each of these two methods, but was limited by the lack of interactions among the particles; the force on each particle had to be from an external field. This study further develops the method to allow charged particles. The method is derived for a general multidimensional system and is presented using a basic test case for a one-dimensional linear system with one charged species and a radially symmetric system with three charged species.

Two-Centre Close-Coupling method in charge transfer

Directory of Open Access Journals (Sweden)

Reza Bagheri

2017-09-01

Full Text Available In the present work, the transition matrix elements as well as differential and total scattering cross-sections for positronium formation in Positron-Hydrogen atom collision and hydrogen formation in Positronium-Hydrogen ion collision, through the charge transfer channel by Two-Centre Close-Coupling method up to a first order approximation have been calculated. The charge transfer collision is assumed to be a three-body reaction, while the projectile is a plane wave. Additionally, the hydrogen and positronium atoms are assumed, initially, to be in their ground states. For the case of charge transfer in the scattering of positron by hydrogen atoms, the differential cross sections are plotted for the energy range of 50eV to 10keV, where the Thomas peak is clearly observable. Finally, the total scattering cross-section for the charge transfer in the collision of Positron-Hydrogen and Positronium-Hydrogen ion are plotted as a function of projectile energies and compared with other methods in the literature.

Charged dust in planetary magnetospheres: Hamiltonian dynamics and numerical simulations for highly charged grains

Science.gov (United States)

Schaffer, L.; Burns, J. A.

1994-01-01

We use a combination of analytical and numerical methods to investigate the dynamics of charged dust grains in planetary magnetospheres. Our emphasis is on obtaining results valid for particles that are not necessarily dominated either by gravitational or electromagnetic forces. A Hamiltonian formulation of the problem yields exact results, for all values of charge-to-mass ratio, when we introduce two constraints: particles remain in the equatorial plane and the magnetic field is taken as axially symmetric. In particular, we obtain locations of equilibrium points, the frequencies of stable periodic orbits, the topology of separatrices in phase space, and the rate of longitudinal drift. These results are significant for specific applications: motion in the nearly aligned dipolar field of Saturn, and the trajectories of arbitrarily charged particles in complex magnetic fields for limited periods of time after ejection from parent bodies. Since the model is restrictive, we also use numerical integrations of the full three-dimensional equations of motion and illustrate under what conditions the constrained problem yields reasonable results. We show that a large fraction of the intermediately charged and highly charged (gyrating) particles will always be lost to a planet's atmosphere within a few hundred hours, for motion through tilted-dipole magnetic fields. We find that grains must have a very high charge-to-mass ratio in order to be mirrored back to the ring plane. Thus, except perhaps at Saturn where the dipole tilt is very small, the likely inhabitants of the dusty ring systems are those particles that are either nearly Keplerian (weakly charged) grains or grains whose charges place them in the lower end of the intermediate charge zone. Fianlly, we demonstrate the effect of plasma drag on the orbits of gyrating particles to be a rapid decrease in gyroradius followed by a slow radial evolution of the guiding center.

Monte Carlo computer simulation of sedimentation of charged hard spherocylinders

International Nuclear Information System (INIS)

Viveros-Méndez, P. X.; Aranda-Espinoza, S.; Gil-Villegas, Alejandro

2014-01-01

In this article we present a NVT Monte Carlo computer simulation study of sedimentation of an electroneutral mixture of oppositely charged hard spherocylinders (CHSC) with aspect ratio L/σ = 5, where L and σ are the length and diameter of the cylinder and hemispherical caps, respectively, for each particle. This system is an extension of the restricted primitive model for spherical particles, where L/σ = 0, and it is assumed that the ions are immersed in an structureless solvent, i.e., a continuum with dielectric constant D. The system consisted of N = 2000 particles and the Wolf method was implemented to handle the coulombic interactions of the inhomogeneous system. Results are presented for different values of the strength ratio between the gravitational and electrostatic interactions, Γ = (mgσ)/(e 2 /Dσ), where m is the mass per particle, e is the electron's charge and g is the gravitational acceleration value. A semi-infinite simulation cell was used with dimensions L x ≈ L y and L z = 5L x , where L x , L y , and L z are the box dimensions in Cartesian coordinates, and the gravitational force acts along the z-direction. Sedimentation effects were studied by looking at every layer formed by the CHSC along the gravitational field. By increasing Γ, particles tend to get more packed at each layer and to arrange in local domains with an orientational ordering along two perpendicular axis, a feature not observed in the uncharged system with the same hard-body geometry. This type of arrangement, known as tetratic phase, has been observed in two-dimensional systems of hard-rectangles and rounded hard-squares. In this way, the coupling of gravitational and electric interactions in the CHSC system induces the arrangement of particles in layers, with the formation of quasi-two dimensional tetratic phases near the surface

Coupled heat-electromagnetic simulation of inductive charging stations for electric vehicles

NARCIS (Netherlands)

Kaufmann, C.; Günther, M.; Klagges, D.; Richwin, M.; Schöps, S.; Maten, ter E.J.W.

2012-01-01

Coupled electromagnetic-heat problems have been studied for induction or inductive heating, for dielectric heating, for testing of corrosion, for detection of cracks, for hardening of steel, and more recently for inductive charging of electric vehicles. In nearly all cases a simple co-simulation is

Coupled heat-electromagnetic simulation of inductive charging stations for electric vehicles

NARCIS (Netherlands)

Kaufmann, C.; Günther, M.; Klagges, D.; Richwin, M.; Schöps, S.; Maten, ter E.J.W.; Fontes, M.; Günther, M.; Marheineke, N.

2014-01-01

Coupled electromagnetic-heat problems have been studied for induction or inductive heating, for dielectric heating, for testing of corrosion, for detection of cracks, for hardening of steel, and more recently for inductive charging of electric vehicles. In nearly all cases a simple co-simulation is

BRICTEST: a code for charge breeding simulations in RF quadrupolar field

International Nuclear Information System (INIS)

Variale, V.; Claudione, M.

2005-01-01

In the framework of the SPES project (Study for Production of Exotic Species), funded by Istituto Nazionale Fisica Nucleare (INFN) at the Laboratori Nazionali Legnaro (LNL) (Padua) for Radioactive Ion Beam (RIB) production, an R and D experiment of a charge breeder device, called BRIC (BReeding Ion Charge), is in progress at LNL. BRIC is an Electron Beam Ion Source (EBIS) type ion charge state breeder in which a radio frequency (RF) quadrupolar field has been superimposed in the trapped ion region to introduce a selective containment with the aim of increasing the wanted ion trapping efficiency. A code that studies the motion and the ion charge state evolution in the trap region of the BRIC device has been recently developed in the Bari INFN section. That code has the aim of showing if, in the presence of an axial magnetic field and electron beam space charge force, the RF quadrupole field can still give a selective ion containment in the EBIS trap region. The code, furthermore, should allow choosing the RF quadrupole parameters to optimize the ion charge containment efficiency. In this paper the main feature of the code, named BRICTEST, and the simulation test will be presented and shortly discussed

A Lossy Counting-Based State of Charge Estimation Method and Its Application to Electric Vehicles

Directory of Open Access Journals (Sweden)

Hong Zhang

2015-12-01

Full Text Available Estimating the residual capacity or state-of-charge (SoC of commercial batteries on-line without destroying them or interrupting the power supply, is quite a challenging task for electric vehicle (EV designers. Many Coulomb counting-based methods have been used to calculate the remaining capacity in EV batteries or other portable devices. The main disadvantages of these methods are the cumulative error and the time-varying Coulombic efficiency, which are greatly influenced by the operating state (SoC, temperature and current. To deal with this problem, we propose a lossy counting-based Coulomb counting method for estimating the available capacity or SoC. The initial capacity of the tested battery is obtained from the open circuit voltage (OCV. The charging/discharging efficiencies, used for compensating the Coulombic losses, are calculated by the lossy counting-based method. The measurement drift, resulting from the current sensor, is amended with the distorted Coulombic efficiency matrix. Simulations and experimental results show that the proposed method is both effective and convenient.

A data driven method to measure electron charge mis-identification rate

CERN Document Server

Bakhshiansohi, Hamed

2009-01-01

Electron charge mis-measurement is an important challenge in analyses which depend on the charge of electron. To estimate the probability of {\\it electron charge mis-measurement} a data driven method is introduced and a good agreement with MC based methods is achieved.\\\\ The third moment of $\\phi$ distribution of hits in electron SuperCluster is studied. The correlation between this variable and the electron charge is also investigated. Using this `new' variable and some other variables the electron charge measurement is improved by two different approaches.

Theory and simulation of charge transfer through DNA - nanotube contacts

International Nuclear Information System (INIS)

Rink, Gunda; Kong Yong; Koslowski, Thorsten

2006-01-01

We address the problem of charge transfer between a single-stranded adenine oligomer and semiconducting boron nitride nanotubes from a theoretical and numerical perspective. The model structures have been motivated by computer simulations; sample geometries are used as the input of an electronic structure theory that is based upon an extended Su-Schrieffer-Heeger Hamiltonian. By analyzing the emerging potential energy surfaces, we obtain hole transfer rates via Marcus' theory of charge transfer. In the presence of nanotubes, these rates exceed those of isolated DNA single strands by a factor of up to 10 4 . This enhancement can be rationalized and quantified as a combination of a template effect and the participation of the tube within a superexchange mechanism

Method for the conversion of hydrocarbon charges

Energy Technology Data Exchange (ETDEWEB)

Whittam, T V

1976-11-11

The basis of the invention is the application of defined zeolites as catalysts to hydrocarbon conversion processes such as reformation, isomerization, dehydrocyclization, and cracking. By charging the zeolite carrier masses with 0.001 to 5% metal of the 8th group of the periodic system, preferably noble metals, a wide region of applications for the catalysts is achieved. A method for the isomerization of an alkyl benzene (or mixture of alkyl benzenes) in the liquid or gas phase under suitable temperature, pressure and flow-rate conditions, as well as in the presence of a cyclic hydrocarbon, is described as preferential model form of the invention; furthermore, a method for the reformation of a hydrocarbon fraction boiling in the gasoline or benzene boiling region and a method for the hydrocracking of hydrocarbon charge (e.g. naphtha, kerosine, gas oils) are given. Types of performance of the methods are explained using various examples.

Space-Charge-Limited Emission Models for Particle Simulation

Science.gov (United States)

Verboncoeur, J. P.; Cartwright, K. L.; Murphy, T.

2004-11-01

Space-charge-limited (SCL) emission of electrons from various materials is a common method of generating the high current beams required to drive high power microwave (HPM) sources. In the SCL emission process, sufficient space charge is extracted from a surface, often of complicated geometry, to drive the electric field normal to the surface close to zero. The emitted current is highly dominated by space charge effects as well as ambient fields near the surface. In this work, we consider computational models for the macroscopic SCL emission process including application of Gauss's law and the Child-Langmuir law for space-charge-limited emission. Models are described for ideal conductors, lossy conductors, and dielectrics. Also considered is the discretization of these models, and the implications for the emission physics. Previous work on primary and dual-cell emission models [Watrous et al., Phys. Plasmas 8, 289-296 (2001)] is reexamined, and aspects of the performance, including fidelity and noise properties, are improved. Models for one-dimensional diodes are considered, as well as multidimensional emitting surfaces, which include corners and transverse fields.

Tight-binding molecular dynamics simulation of charge state effects in semiconductors

CERN Document Server

Khakimov, Z M; Sulaymonov, N T; Kiv, A E; Levin, A A

2002-01-01

New model of Si-H bond dissociation has been proposed and tested in the cluster Si sub 1 sub 0 H sub 1 sub 6 by the simulation approach that combines classical molecular dynamics method and the self-consistent tight-binding electronic and total energy calculation one. It is shown that the monohydride Si-H bond is unstable with respect to formation of silicon dangling bond and bend bridge Si-H-Si bond when this cluster traps the single positive charge. In this case hydrogen atom migrates rather rotating around Si-Si bond than crossing the center of this bond (the bond-centered position). The model can be useful for understanding hydrogen related phenomena at surfaces, interfaces, internal voids of various hydrogenated silicon systems: electronic devices, silicon solar cells, and nanocrystalline and porous silicon. (author)

Smart electric vehicle (EV) charging and grid integration apparatus and methods

Science.gov (United States)

Gadh, Rajit; Mal, Siddhartha; Prabhu, Shivanand; Chu, Chi-Cheng; Sheikh, Omar; Chung, Ching-Yen; He, Lei; Xiao, Bingjun; Shi, Yiyu

2015-05-05

An expert system manages a power grid wherein charging stations are connected to the power grid, with electric vehicles connected to the charging stations, whereby the expert system selectively backfills power from connected electric vehicles to the power grid through a grid tie inverter (if present) within the charging stations. In more traditional usage, the expert system allows for electric vehicle charging, coupled with user preferences as to charge time, charge cost, and charging station capabilities, without exceeding the power grid capacity at any point. A robust yet accurate state of charge (SOC) calculation method is also presented, whereby initially an open circuit voltage (OCV) based on sampled battery voltages and currents is calculated, and then the SOC is obtained based on a mapping between a previously measured reference OCV (ROCV) and SOC. The OCV-SOC calculation method accommodates likely any battery type with any current profile.

Analysis method and utilization mechanism of the overall value of EV charging

International Nuclear Information System (INIS)

Guo, Chunlin; Chan, Ching Chuen

2015-01-01

Highlights: • Analysis on the overall value of EV charging from a viewpoint of system. • An analytical model of the overall value of EV charging was presented. • A model was proposed to calculate the value of emission reduction by EV. • A model to evaluate the improvement in new energy utilization was given. • A utilization mechanism apt to overall optimization was proposed. - Abstract: Electric Vehicle (EV) can save energy while reducing emissions and has thus attracted the attention of both academics and industry. The cost and benefit of charging are one of the key issues in relation to EV development that has been researched extensively. But many studies are carried out from a viewpoint of some local entities rather than a global system, focus on specific types or aspects of EV charging, or use mixed models that can only be computed by computer simulation and lack physical transparency. This paper illuminated that it is necessary to consider the value of EV charging on a system scale. In order to achieve this, it presents an analytical model for analyzing the overall value of EVs, an analysis model to evaluate the reduction of pollutions relevant to photovoltaic power, and a model to transfer the intrinsic savings of wind power to the off-peak charging loads. It is estimated that EV charging has a significant positive value, providing the basis for enhanced EV subsidies. Accordingly, a utilization mechanism apt to optimize globally is proposed, upon which sustainable business models can be formed by providing adequate support, including the implementation of a peak–valley tariff, charging subsidies and one-time battery subsidies. This utilization mechanism, by taking full advantage of the operation system of power utilities to provide basic support and service, may provide new approaches to the development of EVs. The method proposed here is of important value for the systematic considerations about EV development and maybe can help broaden the

Effect of the surface charge discretization on electric double layers. A Monte Carlo simulation study

OpenAIRE

Madurga Díez, Sergio; Martín-Molina, Alberto; Vilaseca i Font, Eudald; Mas i Pujadas, Francesc; Quesada-Pérez, Manuel

2007-01-01

The structure of the electric double layer in contact with discrete and continuously charged planar surfaces is studied within the framework of the primitive model through Monte Carlo simulations. Three different discretization models are considered together with the case of uniform distribution. The effect of discreteness is analyzed in terms of charge density profiles. For point surface groups,a complete equivalence with the situation of uniformly distributed charge is found if profiles are...

Experimental and simulation optimization analysis of the Whipple shields against shaped charge

Science.gov (United States)

Hussain, G.; Hameed, A.; Horsfall, I.; Barton, P.; Malik, A. Q.

2012-06-01

Occasionally, the Whipple shields are used for the protection of a space station and a satellite against the meteoroids and orbital debris. In the Whipple shields each layer of the shield depletes part of high speed projectile energy either by breaking the projectile or absorbing its energy. Similarly, this investigation uses the Whipple shields against the shaped charge to protect the light armour such as infantry fighting vehicles with a little modification in their design. The unsteady multiple interactions of shaped charge jet with the Whipple shield package against the steady homogeneous target is scrutinized to optimize the shield thickness. Simulations indicate that the shield thickness of 0.75 mm offers an optimum configuration against the shaped charge. Experiments also support this evidence.

Three-dimensional space charge calculation method

International Nuclear Information System (INIS)

Lysenko, W.P.; Wadlinger, E.A.

1981-01-01

A method is presented for calculating space-charge forces suitable for use in a particle tracing code. Poisson's equation is solved in three dimensions with boundary conditions specified on an arbitrary surface by using a weighted residual method. Using a discrete particle distribution as our source input, examples are shown of off-axis, bunched beams of noncircular crosssection in radio-frequency quadrupole (RFQ) and drift-tube linac geometries

Methods for studying plasma charge transport across a magnetic field

International Nuclear Information System (INIS)

Popovich, A.S.

1978-01-01

A comparative analysis of experimental methods for the diffusion transfer of plasma charged particles accross the magnetic field at the study of its confinement effectiveness, instability effect is carried out. Considered are the methods based on the analysis of particle balance in the charge and possibilities of diffusion coefficient determination according to measuring parameters of density gradient and particle flow on the wall, rate of plasma decay after switching off ionization source radial profile of plasma density outside the active region of stationary charge. Much attension is payed to the research methods of diffusion transfer, connected with the study of propagation of periodic and aperiodic density perturbation in a plasma. Analysed is the Golubev and Granovsky method of diffusion waves and its different modifications, phase analysis method of ''test charges'' movement, as well as different modifications of correlation methods. Considered are physical preconditions of the latter and criticized is unilateral interpretation of correlation measurings, carried out in a number of works. The analysis of study possibilities of independent (non-ambipolar) diffusion of electrons and ions in a plasma in the magnetic field is executed

Role of charged lipids in membrane structures — Insight given by simulations

DEFF Research Database (Denmark)

Pöyry, Sanja; Vattulainen, Ilpo

2016-01-01

Lipids and proteins are the main components of cell membranes. It is becoming increasingly clear that lipids, in addition to providing an environment for proteins to work in, are in many cases also able to modulate the structure and function of those proteins. Particularly charged lipids...... to fruitful directions. In this paper, we review studies that have utilized molecular dynamics simulations to unravel the roles of charged lipids in membrane structures. We focus on lipids as active constituents of the membranes, affecting both general membrane properties as well as non-lipid membrane...

Study on the Optimal Charging Strategy for Lithium-Ion Batteries Used in Electric Vehicles

Directory of Open Access Journals (Sweden)

Shuo Zhang

2014-10-01

Full Text Available The charging method of lithium-ion batteries used in electric vehicles (EVs significantly affects its commercial application. This paper aims to make three contributions to the existing literature. (1 In order to achieve an efficient charging strategy for lithium-ion batteries with shorter charging time and lower charring loss, the trade-off problem between charging loss and charging time has been analyzed in details through the dynamic programing (DP optimization algorithm; (2 To reduce the computation time consumed during the optimization process, we have proposed a database based optimization approach. After off-line calculation, the simulation results can be applied to on-line charge; (3 The novel database-based DP method is proposed and the simulation results illustrate that this method can effectively find the suboptimal charging strategies under a certain balance between the charging loss and charging time.

Simulations of induced-charge electro-osmosis in microfluidic devices

Science.gov (United States)

Ben, Yuxing

2005-03-01

Theories of nonlinear electrokinetic phenomena generally assume a uniform, neutral bulk electroylte in contact with a polarizable thin double layer near a metal or dielectric surface, which acts as a "capacitor skin". Induced-charge electro-osmosis (ICEO) is the general effect of nonlinear electro-osmotic slip, when an applied electric field acts on its own induced (diffuse) double-layer charge. In most theoretical and experimental work, ICEO has been studied in very simple geometries, such as colloidal spheres and planar, periodic micro-electrode arrays. Here we use finite-element simulations to predict how more complicated geometries of polarizable surfaces and/or electrodes yield flow profiles with subtle dependence on the amplitude and frequency of the applied voltage. We also consider how the simple model equations break down, due to surface conduction, bulk diffusion, and concentration polarization, for large applied voltages (as in most experiments).

An Elastic Charging Service Fee-Based Load Guiding Strategy for Fast Charging Stations

Directory of Open Access Journals (Sweden)

Shu Su

2017-05-01

Full Text Available Compared with the traditional slow charging loads, random integration of large scale fast charging loads will exert more serious impacts on the security of power network operation. Besides, to maximize social benefits, effective scheduling strategies guiding fast charging behaviors should be formulated rather than simply increasing infrastructure construction investments on the power grid. This paper first analyzes the charging users’ various responses to an elastic charging service fee, and introduces the index of charging balance degree to a target region by considering the influence of fast charging loads on the power grid. Then, a multi-objective optimization model of the fast charging service fee is constructed, whose service fee can be further optimized by employing a fuzzy programming method. Therefore, both users’ satisfaction degree and the equilibrium of charging loads can be maintained simultaneously by reasonably guiding electric vehicles (EVs to different fast charging stations. The simulation results demonstrate the effectiveness of the proposed dynamic charging service pricing and the corresponding fast charging load guidance strategy.

Study on Impact of Electric Vehicles Charging Models on Power Load

Science.gov (United States)

Cheng, Chen; Hui-mei, Yuan

2017-05-01

With the rapid increase in the number of electric vehicles, which will lead the power load on grid increased and have an adversely affect. This paper gives a detailed analysis of the following factors, such as scale of the electric cars, charging mode, initial charging time, initial state of charge, charging power and other factors. Monte Carlo simulation method is used to compare the two charging modes, which are conventional charging and fast charging, and MATLAB is used to model and simulate the electric vehicle charging load. The results show that compared with the conventional charging mode, fast charging mode can meet the requirements of fast charging, but also bring great load to the distribution network which will affect the reliability of power grid.

Benchmark of Space Charge Simulations and Comparison with Experimental Results for High Intensity, Low Energy Accelerators

CERN Document Server

Cousineau, Sarah M

2005-01-01

Space charge effects are a major contributor to beam halo and emittance growth leading to beam loss in high intensity, low energy accelerators. As future accelerators strive towards unprecedented levels of beam intensity and beam loss control, a more comprehensive understanding of space charge effects is required. A wealth of simulation tools have been developed for modeling beams in linacs and rings, and with the growing availability of high-speed computing systems, computationally expensive problems that were inconceivable a decade ago are now being handled with relative ease. This has opened the field for realistic simulations of space charge effects, including detailed benchmarks with experimental data. A great deal of effort is being focused in this direction, and several recent benchmark studies have produced remarkably successful results. This paper reviews the achievements in space charge benchmarking in the last few years, and discusses the challenges that remain.

Effect of the surface charge discretization on electric double layers: a Monte Carlo simulation study.

Science.gov (United States)

Madurga, Sergio; Martín-Molina, Alberto; Vilaseca, Eudald; Mas, Francesc; Quesada-Pérez, Manuel

2007-06-21

The structure of the electric double layer in contact with discrete and continuously charged planar surfaces is studied within the framework of the primitive model through Monte Carlo simulations. Three different discretization models are considered together with the case of uniform distribution. The effect of discreteness is analyzed in terms of charge density profiles. For point surface groups, a complete equivalence with the situation of uniformly distributed charge is found if profiles are exclusively analyzed as a function of the distance to the charged surface. However, some differences are observed moving parallel to the surface. Significant discrepancies with approaches that do not account for discreteness are reported if charge sites of finite size placed on the surface are considered.

Method of charging instruments into liquid metal coolant

International Nuclear Information System (INIS)

Yamazaki, Hiroshi

1980-01-01

Purpose: To alleviate the thermal shock of a reactor charging machine when charging the machine into liquid metal coolant after the machine is preheated in cover gas. Method: When a reactor fueling machine reaches at the lowermost portion the position immediately above liquid metal coolant surface level, the machine is stopped moving down. The reactor fueling machine is heated at the lowermost portion by thermal radiation from the surface of the liquid metal coolant. After the machine is thus preheated in cover gas, it is again steadily moved down by a winch and charged into the liquid metal coolant. Therefore, the thermal shock of the machine becomes low when charging the machine into the liquid metal coolant to eliminate the damage and deformation at the machine. (Yoshihara, H.)

Determination of the Electronics Charge--Electrolysis of Water Method.

Science.gov (United States)

Venkatachar, Arun C.

1985-01-01

Presents an alternative method for measuring the electronic charge using data from the electrolysis of acidified distilled water. The process (carried out in a commercially available electrolytic cell) has the advantage of short completion time so that students can determine electron charge and mass in one laboratory period. (DH)

Monte Carlo computer simulation of sedimentation of charged hard spherocylinders

Energy Technology Data Exchange (ETDEWEB)

Viveros-Méndez, P. X., E-mail: xviveros@fisica.uaz.edu.mx; Aranda-Espinoza, S. [Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad esq. Paseo, La Bufa s/n, 98060 Zacatecas, Zacatecas, México (Mexico); Gil-Villegas, Alejandro [Departamento de Ingeniería Física, División de Ciencias e Ingenierías, Campus León, Universidad de Guanajuato, Loma del Bosque 103, Lomas del Campestre, 37150 León, Guanajuato, México (Mexico)

2014-07-28

In this article we present a NVT Monte Carlo computer simulation study of sedimentation of an electroneutral mixture of oppositely charged hard spherocylinders (CHSC) with aspect ratio L/σ = 5, where L and σ are the length and diameter of the cylinder and hemispherical caps, respectively, for each particle. This system is an extension of the restricted primitive model for spherical particles, where L/σ = 0, and it is assumed that the ions are immersed in an structureless solvent, i.e., a continuum with dielectric constant D. The system consisted of N = 2000 particles and the Wolf method was implemented to handle the coulombic interactions of the inhomogeneous system. Results are presented for different values of the strength ratio between the gravitational and electrostatic interactions, Γ = (mgσ)/(e{sup 2}/Dσ), where m is the mass per particle, e is the electron's charge and g is the gravitational acceleration value. A semi-infinite simulation cell was used with dimensions L{sub x} ≈ L{sub y} and L{sub z} = 5L{sub x}, where L{sub x}, L{sub y}, and L{sub z} are the box dimensions in Cartesian coordinates, and the gravitational force acts along the z-direction. Sedimentation effects were studied by looking at every layer formed by the CHSC along the gravitational field. By increasing Γ, particles tend to get more packed at each layer and to arrange in local domains with an orientational ordering along two perpendicular axis, a feature not observed in the uncharged system with the same hard-body geometry. This type of arrangement, known as tetratic phase, has been observed in two-dimensional systems of hard-rectangles and rounded hard-squares. In this way, the coupling of gravitational and electric interactions in the CHSC system induces the arrangement of particles in layers, with the formation of quasi-two dimensional tetratic phases near the surface.

Influence of system size on simulated charge mobility in amorphous films of tris(8-hydroxyquinolinato)aluminium (Alq3)

Energy Technology Data Exchange (ETDEWEB)

Lukyanov, Alexander; Andrienko, Denis [Max Planck Institute for Polymer Research, Mainz (Germany)

2010-07-01

We present the results of a modeling study of the charge transport in amorphous films of tris(8-hydroxyquinolinato)aluminium (Alq{sub 3}). In our multiscale approach we combine molecular dynamics to generate material morphologies, Marcus theory to evaluate charge hopping rates and kinetic Monte Carlo to simulate charge dynamics. Energetic disorder is taken into account by assigning partial charges to the hopping sites, obtained from DFT B3LYP, 6-311g(d) calculations. In contrast to the previous studies Poole-Frenkel behavior of the mobility is reproduced. Our results indicate strong finite-size effects, meaning that the absolute value of the calculated mobility decreases with the increase of the simulation box size. Simple analogy with a classical percolation problem suggests that very large systems are required to obtain a reliable estimate of the charge carrier mobility.

Monte Carlo simulation of ion-neutral charge exchange collisions and grid erosion in an ion thruster

Science.gov (United States)

Peng, Xiaohang; Ruyten, Wilhelmus M.; Keefer, Dennis

1991-01-01

A combined particle-in-cell (PIC)/Monte Carlo simulation model has been developed in which the PIC method is used to simulate the charge exchange collisions. It is noted that a number of features were reproduced correctly by this code, but that its assumption of two-dimensional axisymmetry for a single set of grid apertures precluded the reproduction of the most characteristic feature of actual test data; namely, the concentrated grid erosion at the geometric center of the hexagonal aperture array. The first results of a three-dimensional code, which takes into account the hexagonal symmetry of the grid, are presented. It is shown that, with this code, the experimentally observed erosion patterns are reproduced correctly, demonstrating explicitly the concentration of sputtering between apertures.

Fast Poisson Solvers for Self-Consistent Beam-Beam and Space-Charge Field Computation in Multiparticle Tracking Simulations

CERN Document Server

Florio, Adrien; Pieloni, Tatiana; CERN. Geneva. ATS Department

2015-01-01

We present two different approaches to solve the 2-dimensional electrostatic problem with open boundary conditions to be used in fast tracking codes for beam-beam and space charge simulations in high energy accelerators. We compare a fast multipoles method with a hybrid Poisson solver based on the fast Fourier transform and finite differences in polar coordinates. We show that the latter outperforms the first in terms of execution time and precision, allowing for a reduction of the noise in the tracking simulation. Furthermore the new algorithm is shown to scale linearly on parallel architectures with shared memory. We conclude by effectively replacing the HFMM by the new Poisson solver in the COMBI code.

Methods of charged-particle activation analysis

International Nuclear Information System (INIS)

Chaudhri, M. Anwar; Chaudhri, M. Nasir; Jabbar, Q.; Nadeem, Q.

2006-01-01

The accuracy of Chaudhri's method for charged-particle activation analysis published in J. Radioanal. Chem. (1977) v. 37 p. 243 has been further demonstrated by extensive calculations. The nuclear reactions 12 C(d,n) 13 N, 63 Cu( 3 He,p) 65 Zn, 107 Ag(α,n) 110 In and 208 Pb(d,p) 209 Pb, the cross sections of which were easily available, have been examined for the detection of 12 C, 63 Cu, 107 Ag and 208 Pb, respectively, in matrices of Cu, Zr and Pb, at the bombarding energies of 4 - 22 MeV. The 'standard' is assumed to be in a carbon matrix. It has been clearly demonstrated that Chaudhri's method, which makes the charged particle activation analysis as simple as neutron activation analysis, provides results which are almost identical to, or only about 1-2 % different, from the results obtained using the full 'Activity Equation' involving solving complex integrals. It is valid even when the difference in the average atomic weights of matrices of the standard and the sample is large. (author)

Simulation of the plasma meniscus with and without space charge using triode extraction system

International Nuclear Information System (INIS)

Rahman, M.M.Abdel; El-Khabeary, H.

2009-01-01

In this work, simulation of the singly charged argon ion trajectories for a variable plasma meniscus is studied with and without space charge for the triode extraction system by using SIMION 3D (Simulation of Ion Optics in Three Dimensions) version 7 personal computer program. The influence of acceleration voltage applied to the acceleration electrode of the triode extraction system on the shape of the plasma meniscus has been determined. The plasma electrode is set at +5000 volt and the acceleration voltage applied to the acceleration electrode is varied from -5000 volt to +5000 volt. In the most of the concave and convex plasma shapes, ion beam emittance can be calculated by using separate standard deviations of positions and elevations angles. Ion beam emittance as a function of the curvature of the plasma meniscus for different plasma shapes ( flat, concave and convex ) without space charge at acceleration voltage varied from -5000 volt to +5000 volt applied to the acceleration electrode of the triode extraction system has been investigated. The influence of the extraction gap on ion beam emittance for a plasma concave shape of 3.75 mm without space charge at acceleration voltage, V acc = -2000 volt applied to the acceleration electrode of the triode extraction system has been determined. Also the influence of space charge on ion beam emittance for variable plasma meniscus at acceleration voltage, V acc = -2000 volt applied to the acceleration electrode of the triode extraction system has been studied. (author)

A how-to approach for a 3D simulation of charge transfer characteristics in a gas electron multiplier (GEM)

CERN Document Server

Sharma, A

1999-01-01

In this paper a detailed description of how to simulate charge transfer processes in a gaseous device is presented, taking the gas electron multiplier (GEM) as an example. A 3-dimensional simulation of the electric field and avalanche is performed. Results on charge transport are compared to experiment and agree within experimental errors; the avalanche mechanism and positive ion feedback are studied. The procedures used in the simulation are described in detail, and program scripts are appended. (15 refs).

Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge Model.

Science.gov (United States)

Wang, Bo; Truhlar, Donald G

2013-02-12

Tuned and balanced redistributed charge schemes have been developed for modeling the electrostatic fields of bonds that are cut by a quantum mechanical-molecular mechanical boundary in combined quantum mechanical and molecular mechanical (QM/MM) methods. First, the charge is balanced by adjusting the charge on the MM boundary atom to conserve the total charge of the entire QM/MM system. In the balanced smeared redistributed charge (BSRC) scheme, the adjusted MM boundary charge is smeared with a smearing width of 1.0 Å and is distributed in equal portions to the midpoints of the bonds between the MM boundary atom and the MM atoms bonded to it; in the balanced redistributed charge-2 (BRC2) scheme, the adjusted MM boundary charge is distributed as point charges in equal portions to the MM atoms that are bonded to the MM boundary atom. The QM subsystem is capped by a fluorine atom that is tuned to reproduce the sum of partial atomic charges of the uncapped portion of the QM subsystem. The new aspect of the present study is a new way to carry out the tuning process; in particular, the CM5 charge model, rather than the Mulliken population analysis applied in previous studies, is used for tuning the capping atom that terminates the dangling bond of the QM region. The mean unsigned error (MUE) of the QM/MM deprotonation energy for a 15-system test suite of deprotonation reactions is 2.3 kcal/mol for the tuned BSRC scheme (TBSRC) and 2.4 kcal/mol for the tuned BRC2 scheme (TBRC2). As was the case for the original tuning method based on Mulliken charges, the new tuning method performs much better than using conventional hydrogen link atoms, which have an MUE on this test set of about 7 kcal/mol. However, the new scheme eliminates the need to use small basis sets, which can be problematic, and it allows one to be more consistent by tuning the parameters with whatever basis set is appropriate for applications. (Alternatively, since the tuning parameters and partial charges

Research on Efficiency of Contactless Charging System based on Electromagnetic Induction

Directory of Open Access Journals (Sweden)

Chen Jianshu

2016-01-01

Full Text Available For the efficiency problem of contactless charging in type of electromagnetic induction, this paper establishes a mathematical model of contactless charging in type of electromagnetic induction and the theoretical derivation. This contactless charging simulation model is founded by Matlab/Simulink, which uses the frequency of PWM generator, the mutual inductance value of the coil and load resistance of RL to simulate some conditions, such as the working frequency in practical work, the distance of coil, whether the coils are directed at the central, and changing of loads. Then through the influence of the changing frequency, load and mutual inductance, contactless charging in type of electromagnetic induction is analyzed. By the whole simulation experiment on contactless charging, the theory deduced from the mathematical model is verified, and the method to improve inductive contactless charging is proved.

Modeling the field of a coil using the magnetic charge method

NARCIS (Netherlands)

van Casteren, D.T.E.H.; Paulides, J.J.H.; Lomonova, E.A.

2017-01-01

In the last decades the magnetic charge method has proven to be an excellent tool to analyze and design permanent magnet based systems. Recent research has shown that inclusion of the relative permeability of magnetic materials is also possible using the extended charge method. Contrary to popular

Ground Simulations of Near-Surface Plasma Field and Charging at the Lunar Terminator

Science.gov (United States)

Polansky, J.; Ding, N.; Wang, J.; Craven, P.; Schneider, T.; Vaughn, J.

2012-12-01

Charging in the lunar terminator region is the most complex and is still not well understood. In this region, the surface potential is sensitively influenced by both solar illumination and plasma flow. The combined effects from localized shadow generated by low sun elevation angles and localized wake generated by plasma flow over the rugged terrain can generate strongly differentially charged surfaces. Few models currently exist that can accurately resolve the combined effects of plasma flow and solar illumination over realistic lunar terminator topographies. This paper presents an experimental investigation of lunar surface charging at the terminator region in simulated plasma environments in a vacuum chamber. The solar wind plasma flow is simulated using an electron bombardment gridded Argon ion source. An electrostatic Langmuir probe, nude Faraday probes, a floating emissive probe, and retarding potential analyzer are used to quantify the plasma flow field. Surface potentials of both conducting and dielectric materials immersed in the plasma flow are measured with a Trek surface potential probe. The conducting material surface potential will simultaneously be measured with a high impedance voltmeter to calibrate the Trek probe. Measurement results will be presented for flat surfaces and objects-on-surface for various angles of attack of the plasma flow. The implications on the generation of localized plasma wake and surface charging at the lunar terminator will be discussed. (This research is supported by the NASA Lunar Advanced Science and Exploration Research program.)

Charged-particle calculations using Boltzmann transport methods

International Nuclear Information System (INIS)

Hoffman, T.J.; Dodds, H.L. Jr.; Robinson, M.T.; Holmes, D.K.

1981-01-01

Several aspects of radiation damage effects in fusion reactor neutron and ion irradiation environments are amenable to treatment by transport theory methods. In this paper, multigroup transport techniques are developed for the calculation of charged particle range distributions, reflection coefficients, and sputtering yields. The Boltzmann transport approach can be implemented, with minor changes, in standard neutral particle computer codes. With the multigroup discrete ordinates code, ANISN, determination of ion and target atom distributions as functions of position, energy, and direction can be obtained without the stochastic error associated with atomistic computer codes such as MARLOWE and TRIM. With the multigroup Monte Carlo code, MORSE, charged particle effects can be obtained for problems associated with very complex geometries. Results are presented for several charged particle problems. Good agreement is obtained between quantities calculated with the multigroup approach and those obtained experimentally or by atomistic computer codes

Three-Dimensional Simulation of DRIE Process Based on the Narrow Band Level Set and Monte Carlo Method

Directory of Open Access Journals (Sweden)

Jia-Cheng Yu

2018-02-01

Full Text Available A three-dimensional topography simulation of deep reactive ion etching (DRIE is developed based on the narrow band level set method for surface evolution and Monte Carlo method for flux distribution. The advanced level set method is implemented to simulate the time-related movements of etched surface. In the meanwhile, accelerated by ray tracing algorithm, the Monte Carlo method incorporates all dominant physical and chemical mechanisms such as ion-enhanced etching, ballistic transport, ion scattering, and sidewall passivation. The modified models of charged particles and neutral particles are epitomized to determine the contributions of etching rate. The effects such as scalloping effect and lag effect are investigated in simulations and experiments. Besides, the quantitative analyses are conducted to measure the simulation error. Finally, this simulator will be served as an accurate prediction tool for some MEMS fabrications.

CoFFEE: Corrections For Formation Energy and Eigenvalues for charged defect simulations

Science.gov (United States)

Naik, Mit H.; Jain, Manish

2018-05-01

Charged point defects in materials are widely studied using Density Functional Theory (DFT) packages with periodic boundary conditions. The formation energy and defect level computed from these simulations need to be corrected to remove the contributions from the spurious long-range interaction between the defect and its periodic images. To this effect, the CoFFEE code implements the Freysoldt-Neugebauer-Van de Walle (FNV) correction scheme. The corrections can be applied to charged defects in a complete range of material shapes and size: bulk, slab (or two-dimensional), wires and nanoribbons. The code is written in Python and features MPI parallelization and optimizations using the Cython package for slow steps.

Design and simulation of maximum power point tracking (MPPT) system on solar module system using constant voltage (CV) method

Science.gov (United States)

Bhatara, Sevty Satria; Iskandar, Reza Fauzi; Kirom, M. Ramdlan

2016-02-01

Solar energy is one of renewable energy resource where needs a photovoltaic module to convert it into electrical energy. One of the problems on solar energy conversion is the process of battery charging. To improve efficiency of energy conversion, PV system needs another control method on battery charging called maximum power point tracking (MPPT). This paper report the study on charging optimation using constant voltage (CV) method. This method has a function of determining output voltage of the PV system on maximal condition, so PV system will always produce a maximal energy. A model represented a PV system with and without MPPT was developed using Simulink. PV system simulation showed a different outcome energy when different solar radiation and numbers of solar module were applied in the model. On the simulation of solar radiation 1000 W/m2, PV system with MPPT produces 252.66 Watt energy and PV system without MPPT produces 252.66 Watt energy. The larger the solar radiation, the greater the energy of PV modules was produced.

Explicit symplectic algorithms based on generating functions for charged particle dynamics

Science.gov (United States)

Zhang, Ruili; Qin, Hong; Tang, Yifa; Liu, Jian; He, Yang; Xiao, Jianyuan

2016-07-01

Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H (x ,p ) =pif (x ) or H (x ,p ) =xig (p ) . Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency.

Exact method for the simulation of Coulombic systems by spherically truncated, pairwise r-1 summation

International Nuclear Information System (INIS)

Wolf, D.; Keblinski, P.; Phillpot, S.R.; Eggebrecht, J.

1999-01-01

Based on a recent result showing that the net Coulomb potential in condensed ionic systems is rather short ranged, an exact and physically transparent method permitting the evaluation of the Coulomb potential by direct summation over the r -1 Coulomb pair potential is presented. The key observation is that the problems encountered in determining the Coulomb energy by pairwise, spherically truncated r -1 summation are a direct consequence of the fact that the system summed over is practically never neutral. A simple method is developed that achieves charge neutralization wherever the r -1 pair potential is truncated. This enables the extraction of the Coulomb energy, forces, and stresses from a spherically truncated, usually charged environment in a manner that is independent of the grouping of the pair terms. The close connection of our approach with the Ewald method is demonstrated and exploited, providing an efficient method for the simulation of even highly disordered ionic systems by direct, pairwise r -1 summation with spherical truncation at rather short range, i.e., a method which fully exploits the short-ranged nature of the interactions in ionic systems. The method is validated by simulations of crystals, liquids, and interfacial systems, such as free surfaces and grain boundaries. copyright 1999 American Institute of Physics

Slowing of charged particles by particle methods

International Nuclear Information System (INIS)

Mercier, B.

1985-03-01

We review some facts about particle methods for solving linear hyperbolic equations. We show how one gets an evaluation of integral quantities like: ∫ u(x,t) zeta(x,t) dxdt where u denotes the solution and zeta an arbitrary weight function. Then, we apply the method to the equation describing charged particle transport in a plasma with emphasis on the evaluation of energy deposition on ions and electrons [fr

A novel simulation method to evaluate the collection performance of a monolithic active pixel sensor

International Nuclear Information System (INIS)

Fu Min; Tang Zhen'an

2011-01-01

A novel simulation method is presented in this paper to evaluate the collection performance of monolithic active pixel sensor (MAPS) devices for minimum ionizing particle tracking. A simplified 3D matrix pixel structure is built using the computer aided design software Sentaurus. The virtual device is then divided into hundreds of parts and an independent customized X photon model is involved in each part to simulate the conditions under 55 Fe radiation. After data processing and analysis, charge collection efficiency, collection time and diffusion conditions can be estimated in detail. In order to verify the reliability of the method, comparisons are made between the simulations and experiments. Although there are some defects, it can be concluded that the proposed idea is a feasible method for the evaluation of the MAPS collection performance. (authors)

A new tagger for the charge identification of b-jets

CERN Document Server

The ATLAS collaboration

2015-01-01

A newly developed algorithm called the jet vertex charge tagger, aimed at identifying the sign of the charge of jets containing $b$-hadrons, referred to as $b$-jets, is presented in this note. In addition to the well established track-based jet charge determination, this algorithm introduces the so-called jet vertex charge reconstruction, which exploits the charge information associated to the displaced vertices within the jet. Furthermore, the charge of a soft muon contained in the jet is taken into account when available. All available information is combined into a multivariate discriminator produced using an artificial neural network method. The algorithm has been developed on jets matched to truth level $b$-hadrons provided by $t\\bar{t}$ events simulated at $\\sqrt{s}$ = 13 TeV using the full ATLAS detector simulation and reconstruction.

Improved non-invasive method for aerosol particle charge measurement employing in-line digital holography

Science.gov (United States)

Tripathi, Anjan Kumar

Electrically charged particles are found in a wide range of applications ranging from electrostatic powder coating, mineral processing, and powder handling to rain-producing cloud formation in atmospheric turbulent flows. In turbulent flows, particle dynamics is influenced by the electric force due to particle charge generation. Quantifying particle charges in such systems will help in better predicting and controlling particle clustering, relative motion, collision, and growth. However, there is a lack of noninvasive techniques to measure particle charges. Recently, a non-invasive method for particle charge measurement using in-line Digital Holographic Particle Tracking Velocimetry (DHPTV) technique was developed in our lab, where charged particles to be measured were introduced to a uniform electric field, and their movement towards the oppositely charged electrode was deemed proportional to the amount of charge on the particles (Fan Yang, 2014 [1]). However, inherent speckle noise associated with reconstructed images was not adequately removed and therefore particle tracking data was contaminated. Furthermore, particle charge calculation based on particle deflection velocity neglected the particle drag force and rebound effect of the highly charged particles from the electrodes. We improved upon the existing particle charge measurement method by: 1) hologram post processing, 2) taking drag force into account in charge calculation, 3) considering rebound effect. The improved method was first fine-tuned through a calibration experiment. The complete method was then applied to two different experiments, namely conduction charging and enclosed fan-driven turbulence chamber, to measure particle charges. In all three experiments conducted, the particle charge was found to obey non-central t-location scale family of distribution. It was also noted that the charge distribution was insensitive to the change in voltage applied between the electrodes. The range of voltage

The effect of dendrimer charge inversion in complexes with linear polyelectrolytes

NARCIS (Netherlands)

Lyulin, S.V.; Lyulin, A.V.; Darinskii, A.A.; Emri, I.

2005-01-01

The structure of complexes formed by charged dendrimers and oppositely charged linear chains with a charge of at least the same as that of dendrimers was studied by computer simulation using the Brownian dynamics method. The freely jointed, free-draining model of the dendrimer and the linear chain

FY14 Milestone: Simulated Impacts of Life-Like Fast Charging on BEV Batteries

Energy Technology Data Exchange (ETDEWEB)

Neubauer, Jeremy [National Renewable Energy Lab. (NREL), Golden, CO (United States). Transportation and Hydrogen Systems Center; Wood, Eric [National Renewable Energy Lab. (NREL), Golden, CO (United States). Transportation and Hydrogen Systems Center; Burton, Evan [National Renewable Energy Lab. (NREL), Golden, CO (United States). Transportation and Hydrogen Systems Center; Smith, Kandler [National Renewable Energy Lab. (NREL), Golden, CO (United States). Transportation and Hydrogen Systems Center; Pesaran, Ahmad [National Renewable Energy Lab. (NREL), Golden, CO (United States). Transportation and Hydrogen Systems Center

2014-09-01

Fast charging is attractive to battery electric vehicle (BEV) drivers for its ability to enable long-distance travel and quickly recharge depleted batteries on short notice. However, such aggressive charging and the sustained vehicle operation that results could lead to excessive battery temperatures and degradation. Properly assessing the consequences of fast charging requires accounting for disparate cycling, heating, and aging of individual cells in large BEV packs when subjected to realistic travel patterns, usage of fast chargers, and climates over long durations (i.e., years). The U.S. Department of Energy's Vehicle Technologies Office has supported NREL's development of BLAST-V 'the Battery Lifetime Analysis and Simulation Tool for Vehicles' to create a tool capable of accounting for all of these factors. The authors present on the findings of applying this tool to realistic fast charge scenarios. The effects of different travel patterns, climates, battery sizes, battery thermal management systems, and other factors on battery performance and degradation are presented. The primary challenge for BEV batteries operated in the presence of fast charging is controlling maximum battery temperature, which can be achieved with active battery cooling systems.

Klystron - Space-charge limited flow, guns, Perveance

International Nuclear Information System (INIS)

Isagawa, S.

1999-01-01

This paper treats Thermionic emission, Cathode as an e - emitter, Space-charge limited effect and 3/2 power law, Perveance, Beam spread due to space charge, Pierce guns, Magnetically immersed guns, Method of gun design including simulations, and Examples, mainly treating E3786, which attendees will operate above 1 MW-CW in a practical exercise course at KEK. (author). 74 refs

Ion association at discretely-charged dielectric interfaces: Giant charge inversion

Science.gov (United States)

Wang, Zhi-Yong; Wu, Jianzhong

2017-07-01

Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

Moving charged particles in lattice Boltzmann-based electrokinetics

Science.gov (United States)

Kuron, Michael; Rempfer, Georg; Schornbaum, Florian; Bauer, Martin; Godenschwager, Christian; Holm, Christian; de Graaf, Joost

2016-12-01

The motion of ionic solutes and charged particles under the influence of an electric field and the ensuing hydrodynamic flow of the underlying solvent is ubiquitous in aqueous colloidal suspensions. The physics of such systems is described by a coupled set of differential equations, along with boundary conditions, collectively referred to as the electrokinetic equations. Capuani et al. [J. Chem. Phys. 121, 973 (2004)] introduced a lattice-based method for solving this system of equations, which builds upon the lattice Boltzmann algorithm for the simulation of hydrodynamic flow and exploits computational locality. However, thus far, a description of how to incorporate moving boundary conditions into the Capuani scheme has been lacking. Moving boundary conditions are needed to simulate multiple arbitrarily moving colloids. In this paper, we detail how to introduce such a particle coupling scheme, based on an analogue to the moving boundary method for the pure lattice Boltzmann solver. The key ingredients in our method are mass and charge conservation for the solute species and a partial-volume smoothing of the solute fluxes to minimize discretization artifacts. We demonstrate our algorithm's effectiveness by simulating the electrophoresis of charged spheres in an external field; for a single sphere we compare to the equivalent electro-osmotic (co-moving) problem. Our method's efficiency and ease of implementation should prove beneficial to future simulations of the dynamics in a wide range of complex nanoscopic and colloidal systems that were previously inaccessible to lattice-based continuum algorithms.

Discrete Charge Effects on an Infinitely Long Cylindrical Rod Model

OpenAIRE

Agung, Ahmad A. J; Jesudason, Christopher G.

2011-01-01

Two methods for determining the potential (\\psi) around a discretely charged rod have been devised. The methods utilize the potential around the continuously charged rod (\\bar{\\psi}) as the reference where \\bar{\\psi} isdetermined by the Poisson-Boltzmann equation. The potential data are used to determine the theoretical radial distribution function (RDF) which is compared with MD simulation data. It is shown that the magnitude of the charge and size parameters very strongly affects the shape ...

Space-charge effect in electron time-of-flight analyzer for high-energy photoemission spectroscopy

International Nuclear Information System (INIS)

Greco, G.; Verna, A.; Offi, F.; Stefani, G.

2016-01-01

Highlights: • Two methods for the simulation of space-charge effect in time-resolved PES. • Reliability and advantages in the use of the SIMION"® software. • Simulation of the space-charge effect in an electron TOF analyzer. • Feasibility of a TOF analyzer in time-resolved high-energy PES experiments at FEL. - Abstract: The space-charge effect, due to the instantaneous emission of many electrons after the absorption of a single photons pulse, causes distortion in the photoelectron energy spectrum. Two calculation methods have been applied to simulate the expansion during a free flight of clouds of mono- and bi-energetic electrons generated by a high energy pulse of light and their results have been compared. The accuracy of a widely used tool, such as SIMION"®, in predicting the energy distortion caused by the space-charge has been tested and the reliability of its results is verified. Finally we used SIMION"® to take into account the space-charge effects in the simulation of simple photoemission experiments with a time-of-flight analyzer.

Electrostatic Model Applied to ISS Charged Water Droplet Experiment

Science.gov (United States)

Stevenson, Daan; Schaub, Hanspeter; Pettit, Donald R.

2015-01-01

The electrostatic force can be used to create novel relative motion between charged bodies if it can be isolated from the stronger gravitational and dissipative forces. Recently, Coulomb orbital motion was demonstrated on the International Space Station by releasing charged water droplets in the vicinity of a charged knitting needle. In this investigation, the Multi-Sphere Method, an electrostatic model developed to study active spacecraft position control by Coulomb charging, is used to simulate the complex orbital motion of the droplets. When atmospheric drag is introduced, the simulated motion closely mimics that seen in the video footage of the experiment. The electrostatic force's inverse dependency on separation distance near the center of the needle lends itself to analytic predictions of the radial motion.

On the nature of high field charge transport in reinforced silicone dielectrics: Experiment and simulation

Energy Technology Data Exchange (ETDEWEB)

Huang, Yanhui, E-mail: huangy12@rpi.edu; Schadler, Linda S. [Department of Material Science and Engineering, Rensselaer Polytechnic Institute, 110 8th street, Troy, New York 12180 (United States)

2016-08-07

The high field charge injection and transport properties in reinforced silicone dielectrics were investigated by measuring the time-dependent space charge distribution and the current under dc conditions up to the breakdown field and were compared with the properties of other dielectric polymers. It is argued that the energy and spatial distribution of localized electronic states are crucial in determining these properties for polymer dielectrics. Tunneling to localized states likely dominates the charge injection process. A transient transport regime arises due to the relaxation of charge carriers into deep traps at the energy band tails and is successfully verified by a Monte Carlo simulation using the multiple-hopping model. The charge carrier mobility is found to be highly heterogeneous due to the non-uniform trapping. The slow moving electron packet exhibits a negative field dependent drift velocity possibly due to the spatial disorder of traps.

Simulation and design of an electron beam ion source charge breeder for the californium rare isotope breeder upgrade

Directory of Open Access Journals (Sweden)

Clayton Dickerson

2013-02-01

Full Text Available An electron beam ion source (EBIS will be constructed and used to charge breed ions from the californium rare isotope breeder upgrade (CARIBU for postacceleration into the Argonne tandem linear accelerator system (ATLAS. Simulations of the EBIS charge breeder performance and the related ion transport systems are reported. Propagation of the electron beam through the EBIS was verified, and the anticipated incident power density within the electron collector was identified. The full normalized acceptance of the charge breeder with a 2 A electron beam, 0.024π  mm mrad for nominal operating parameters, was determined by simulating ion injection into the EBIS. The optics of the ion transport lines were carefully optimized to achieve well-matched ion injection, to minimize emittance growth of the injected and extracted ion beams, and to enable adequate testing of the charge bred ions prior to installation in ATLAS.

Ewald Electrostatics for Mixtures of Point and Continuous Line Charges.

Science.gov (United States)

Antila, Hanne S; Tassel, Paul R Van; Sammalkorpi, Maria

2015-10-15

Many charged macro- or supramolecular systems, such as DNA, are approximately rod-shaped and, to the lowest order, may be treated as continuous line charges. However, the standard method used to calculate electrostatics in molecular simulation, the Ewald summation, is designed to treat systems of point charges. We extend the Ewald concept to a hybrid system containing both point charges and continuous line charges. We find the calculated force between a point charge and (i) a continuous line charge and (ii) a discrete line charge consisting of uniformly spaced point charges to be numerically equivalent when the separation greatly exceeds the discretization length. At shorter separations, discretization induces deviations in the force and energy, and point charge-point charge correlation effects. Because significant computational savings are also possible, the continuous line charge Ewald method presented here offers the possibility of accurate and efficient electrostatic calculations.

Space-Charge Simulation of Integrable Rapid Cycling Synchrotron

Energy Technology Data Exchange (ETDEWEB)

Eldred, Jeffery [Fermilab; Valishev, Alexander [Fermilab

2017-05-01

Integrable optics is an innovation in particle accelerator design that enables strong nonlinear focusing without generating parametric resonances. We use a Synergia space-charge simulation to investigate the application of integrable optics to a high-intensity hadron ring that could replace the Fermilab Booster. We find that incorporating integrability into the design suppresses the beam halo generated by a mismatched KV beam. Our integrable rapid cycling synchrotron (iRCS) design includes other features of modern ring design such as low momentum compaction factor and harmonically canceling sextupoles. Experimental tests of high-intensity beams in integrable lattices will take place over the next several years at the Fermilab Integrable Optics Test Accelerator (IOTA) and the University of Maryland Electron Ring (UMER).

3D electric field calculation with surface charge method

International Nuclear Information System (INIS)

Yamada, S.

1992-01-01

This paper describes an outline and some examples of three dimensional electric field calculations with a computer code developed at NIRS. In the code, a surface charge method is adopted because of it's simplicity in the mesh establishing procedure. The charge density in a triangular mesh is assumed to distribute with a linear function of the position. The electric field distribution is calculated for a pair of drift tubes with the focusing fingers on the opposing surfaces. The field distribution in an acceleration gap is analyzed with a Fourier-Bessel series expansion method. The calculated results excellently reproduces the measured data with a magnetic model. (author)

Simulation of the Plasma Meniscus with and without Space Charge using Triode Extraction System

International Nuclear Information System (INIS)

Abdel Rahman, M.M.; EI-Khabeary, H.

2007-01-01

In this work simulation of the singly charged argon ion trajectories for a variable plasma meniscus is studied with and without space charge for the triode extraction system by using SIMION 3D (Simulation of Ion Optics in Three Dimensions) version 7 personal computer program. Tbe influence of acceleration voltage applied to tbe acceleration electrode of the triode extraction system on the shape of the plasma meniscus has been determined. The plasma electrode is set at +5000 volt and the acceleration voltage applied to the acceleration electrode is varied from -5000 volt to +5000 volt. In the most of the concave and convex plasma shapes ion beam emittance can be calculated by using separate standard deviations of positions and elevations angles. Ion beam emittance as a function of the curvature of the plasma meniscus for different plasma shapes ( flat concave and convex ) without space change at acceleration voltage varied from -5000 volt to +5000 volt applied to the acceleration electrode of the triode extraction system has been investigated. Tbe influence of the extraction gap on ion beam emittance for a plasma concave shape of 3.75 mm without space charge at acceleration voltage, V a cc = -2000 volt applied to the acceleration electrode of the triode extraction system has been determined. Also the influence of space charge on ion beam emittance for variable plasma meniscus at acceleration voltage, V a cc = - 2000 volt applied to the acceleration electrode of. the triode extraction system has been studied

Dynamics of neutral and charged aerosol particles

Energy Technology Data Exchange (ETDEWEB)

Leppae, J.

2012-07-01

Atmospheric aerosol particles have various climate effects and adverse health effects, which both depend on the size and number concentration of the particles. Freshly-formed particles are not large enough to impact neither health nor climate and they are most susceptible to removal by collisions with larger pre-existing particles. Consequently, the knowledge of both the formation and the growth rate of particles are crucially important when assessing the health and climate effects of atmospheric new particle formation. The purpose of this thesis is to increase our knowledge of the dynamics of neutral and charged aerosol particles with a specific interest towards the particle growth rate and processes affecting the aerosol charging state. A new model, Ion-UHMA, which simulates the dynamics of neutral and charged particles, was developed for this purpose. Simple analytical formulae that can be used to estimate the growth rate due to various processes were derived and used to study the effects of charged particles on the growth rate. It was found that the growth rate of a freshly-formed particle population due to condensation and coagulation could be significantly increased when a considerable fraction of the particles are charged. Finally, recent data-analysis methods that have been applied to the aerosol charging states obtained from the measurements were modified for a charge asymmetric framework. The methods were then tested on data obtained from aerosol dynamics simulations. The methods were found to be able to provide reasonable estimates on the growth rate and proportion of particles formed via ion-induced nucleation, provided that the growth rate is high enough and that the charged particles do not grow much more rapidly than the neutral ones. A simple procedure for estimating whether the methods are suitable for analysing data obtained in specific conditions was provided. In this thesis, the dynamics of neutral and charged aerosol particles were studied in

Study by simulation the influence of temperature on the formation of space charge in the dielectric multilayer Under DC Electric stress

Directory of Open Access Journals (Sweden)

Y. A. Baadj

2017-06-01

Full Text Available Multidielectric polyethylene is a material that is generally employed as insulation for  the HVDC isolations. In this paper, the influence of temperature on space charge dynamics has been studied, low-density polyethylene (LDPE and Fluorinated Ethylene Propylene (FEP sandwiched between two electrodes were subjected to voltage application of 5kV (14.3 kV/mm for extended duration of time and the space charge measurements were taken using bipolar model is one-dimensional, taking into account trapping, detrapping and the rencommbinaison in order to determine the charge density and electric field of the sample depending on the thickness. The simulation was carried out at three different temperatures (20, 40,  and 60°C. The results of this model going to compare with experimental space charge measurements . Finally, simulation results demonstrated that the temperature has many effects on the dynamic space charge  and of influences the charge injection, charge mobility, electrical conduction, trapping and detrapping.

Simulations of space charge neutralization in a magnetized electron cooler

Energy Technology Data Exchange (ETDEWEB)

Gerity, James [Texas A-M; McIntyre, Peter M. [Texas A-M; Bruhwiler, David Leslie [RadiaSoft, Boulder; Hall, Christopher [RadiaSoft, Boulder; Moens, Vince Jan [Ecole Polytechnique, Lausanne; Park, Chong Shik [Fermilab; Stancari, Giulio [Fermilab

2017-02-02

Magnetized electron cooling at relativistic energies and Ampere scale current is essential to achieve the proposed ion luminosities in a future electron-ion collider (EIC). Neutralization of the space charge in such a cooler can significantly increase the magnetized dynamic friction and, hence, the cooling rate. The Warp framework is being used to simulate magnetized electron beam dynamics during and after the build-up of neutralizing ions, via ionization of residual gas in the cooler. The design follows previous experiments at Fermilab as a verification case. We also discuss the relevance to EIC designs.

Simulation of weak polyelectrolytes: a comparison between the constant pH and the reaction ensemble method

Science.gov (United States)

Landsgesell, Jonas; Holm, Christian; Smiatek, Jens

2017-03-01

The reaction ensemble and the constant pH method are well-known chemical equilibrium approaches to simulate protonation and deprotonation reactions in classical molecular dynamics and Monte Carlo simulations. In this article, we demonstrate the similarity between both methods under certain conditions. We perform molecular dynamics simulations of a weak polyelectrolyte in order to compare the titration curves obtained by both approaches. Our findings reveal a good agreement between the methods when the reaction ensemble is used to sweep the reaction constant. Pronounced differences between the reaction ensemble and the constant pH method can be observed for stronger acids and bases in terms of adaptive pH values. These deviations are due to the presence of explicit protons in the reaction ensemble method which induce a screening of electrostatic interactions between the charged titrable groups of the polyelectrolyte. The outcomes of our simulation hint to a better applicability of the reaction ensemble method for systems in confined geometries and titrable groups in polyelectrolytes with different pKa values.

Hydraulic simulation of the systems of a nuclear power plant for charges calculation in piping

International Nuclear Information System (INIS)

Masriera, N.

1990-01-01

This work presents a general description of the methodology used by the ENACE S.A. Fluids Working Group for hydraulics simulation of a nuclear power plant system for the calculation charges in piping. (Author) [es

1D numerical simulation of charge trapping in an insulator submitted to an electron beam irradiation. Part I: Computation of the initial secondary electron emission yield

International Nuclear Information System (INIS)

Aoufi, A.; Damamme, G.

2011-01-01

The aim of this work is to study by numerical simulation a mathematical modelling technique describing charge trapping during initial charge injection in an insulator submitted to electron beam irradiation. A two-fluxes method described by a set of two stationary transport equations is used to split the electron current j e (z) into coupled forward j e+ (z) and backward j e (z) currents and such that j e (z) = j e+ (z) - j e- (z). The sparse algebraic linear system, resulting from the vertex-centered finite-volume discretization scheme is solved by an iterative decoupled fixed point method which involves the direct inversion of a bi-diagonal matrix. The sensitivity of the initial secondary electron emission yield with respect to the energy of incident primary electrons beam, that is penetration depth of the incident beam, or electron cross sections (absorption and diffusion) is investigated by numerical simulations. (authors)

Jet Vertex Charge Reconstruction

CERN Document Server

Nektarijevic, Snezana; The ATLAS collaboration

2015-01-01

A newly developed algorithm called the jet vertex charge tagger, aimed at identifying the sign of the charge of jets containing $b$-hadrons, referred to as $b$-jets, is presented. In addition to the well established track-based jet charge determination, this algorithm introduces the so-called \\emph{jet vertex charge} reconstruction, which exploits the charge information associated to the displaced vertices within the jet. Furthermore, the charge of a soft muon contained in the jet is taken into account when available. All available information is combined into a multivariate discriminator. The algorithm has been developed on jets matched to generator level $b$-hadrons provided by $t\\bar{t}$ events simulated at $\\sqrt{s}$=13~TeV using the full ATLAS detector simulation and reconstruction.

The charge deposition in the numerical simulation of high-current beam

International Nuclear Information System (INIS)

Wang Shijun

1987-01-01

A new method of charge deposition of high-current beam, conservation-map method, is given. THe advantages of Neil's and other various methods are adopted. The mistake of Neil's method and the limitation of other various methods is discarded. So the method is accurate without additional assumption. The method not only applies to the case of steady laminar flow but also applies to the case of steady non-laminar flow

Open boundaries for particle beams within fit-simulations

International Nuclear Information System (INIS)

Balk, M.C.; Schuhmann, R.; Weiland, T.

2006-01-01

A method is proposed to simulate open boundary conditions for charged particle beams with v< c in time domain or frequency domain within the Finite Integration Technique (FIT). Inside the calculation domain the moving charged particles are represented by a line current. Further, the simulated field components at the boundary of the calculation domain have to be modified for an undisturbed transmission of the space-charge field. This can be realised by a 'scattered field' formulation. The method is verified by several calculations

Design and simulation of ion optics for ion sources for production of singly charged ions

Science.gov (United States)

Zelenak, A.; Bogomolov, S. L.

2004-05-01

During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments.

Design and simulation of ion optics for ion sources for production of singly charged ions

International Nuclear Information System (INIS)

Zelenak, A.; Bogomolov, S.L.

2004-01-01

During the last 2 years different types of the singly charged ion sources were developed for FLNR (JINR) new projects such as Dubna radioactive ion beams, (Phase I and Phase II), the production of the tritium ion beam and the MASHA mass separator. The ion optics simulations for 2.45 GHz electron cyclotron resonance source, rf source, and the plasma ion source were performed. In this article the design and simulation results of the optics of new ion sources are presented. The results of simulation are compared with measurements obtained during the experiments

Simulation of Cascaded Longitudinal-Space-Charge Amplifier at the Fermilab Accelerator Science & Technology (Fast) Facility

Energy Technology Data Exchange (ETDEWEB)

Halavanau, A. [Northern Illinois U.; Piot, P. [Northern Illinois U.

2015-12-01

Cascaded Longitudinal Space Charge Amplifiers (LSCA) have been proposed as a mechanism to generate density modulation over a board spectral range. The scheme has been recently demonstrated in the optical regime and has confirmed the production of broadband optical radiation. In this paper we investigate, via numerical simulations, the performance of a cascaded LSCA beamline at the Fermilab Accelerator Science & Technology (FAST) facility to produce broadband ultraviolet radiation. Our studies are carried out using elegant with included tree-based grid-less space charge algorithm.

Application of State Quantization-Based Methods in HEP Particle Transport Simulation

Science.gov (United States)

Santi, Lucio; Ponieman, Nicolás; Jun, Soon Yung; Genser, Krzysztof; Elvira, Daniel; Castro, Rodrigo

2017-10-01

Simulation of particle-matter interactions in complex geometries is one of the main tasks in high energy physics (HEP) research. An essential aspect of it is an accurate and efficient particle transportation in a non-uniform magnetic field, which includes the handling of volume crossings within a predefined 3D geometry. Quantized State Systems (QSS) is a family of numerical methods that provides attractive features for particle transportation processes, such as dense output (sequences of polynomial segments changing only according to accuracy-driven discrete events) and lightweight detection and handling of volume crossings (based on simple root-finding of polynomial functions). In this work we present a proof-of-concept performance comparison between a QSS-based standalone numerical solver and an application based on the Geant4 simulation toolkit, with its default Runge-Kutta based adaptive step method. In a case study with a charged particle circulating in a vacuum (with interactions with matter turned off), in a uniform magnetic field, and crossing up to 200 volume boundaries twice per turn, simulation results showed speedups of up to 6 times in favor of QSS while it being 10 times slower in the case with zero volume boundaries.

Simulation of transmission of slow highly charged ions through insulating tapered macro-capillaries

International Nuclear Information System (INIS)

Schweigler, T.; Lemell, C.; Burgdoerfer, J.

2011-01-01

The field of charged-particle transmission through insulating nanocapillaries has expanded its scope within the last few years. Originally motivated by research on elementary ion-insulator interactions recent work has shifted the focus on the development of tools for ion-beam shaping and guiding. The design of tapered macrocapillaries has attracted growing interest and has found first applications in directing ions to targeted regions of biological cells for microsurgery. Due to the large dimensions of these capillaries, simulation of such systems faces considerable difficulties which we address in this paper. A first proof-of-principle simulation is presented.

Simulation of the charging process of the LISA test masses due to solar flares

International Nuclear Information System (INIS)

Vocca, H; Grimani, C; Amico, P; Bosi, L; Marchesoni, F; Punturo, M; Travasso, F; Barone, M; Stanga, R; Vetrano, F; Vicere, A

2004-01-01

Cosmic-ray and solar high energy particles penetrate the LISA experiment test masses. Consequently, an electric charge accumulates in the bodies of the masses, generating spurious Coulomb forces between the masses and the surrounding electrodes. This process increases the noise level of the experiment. We have estimated the amount of charge deposited per second on the LISA test masses by solar flares and primary cosmic-ray protons at solar minimum. The simulation has been carried out with the Fluka Monte Carlo program. A simplified geometry for the experiment has been considered. We have found a net charging rate of 37 ± 1 e + /s for primary protons at solar minimum between 0.1 and 1000 GeV/n. The amount of charge released by a medium-strong solar flare, like that of 16 February 1984, is 10 732 ± 30 e + /s in the energy range 0.1-10 GeV/n. This value increases or decreases by approximately one order of magnitude for strong (weak) solar flares

Open boundaries for particle beams within fit-simulations

Energy Technology Data Exchange (ETDEWEB)

Balk, M.C. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany)]. E-mail: balk@temf.tu-darmstadt.de; Schuhmann, R. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany); Weiland, T. [Technische Universitaet Darmstadt, Institut fuer Theorie Elektromagnetischer Felder, Schlossgartenstr. 8, 64289 Darmstadt (Germany)

2006-03-01

A method is proposed to simulate open boundary conditions for charged particle beams with vcharged particles are represented by a line current. Further, the simulated field components at the boundary of the calculation domain have to be modified for an undisturbed transmission of the space-charge field. This can be realised by a 'scattered field' formulation. The method is verified by several calculations.

Coupled quantum-classical method for long range charge transfer: relevance of the nuclear motion to the quantum electron dynamics

International Nuclear Information System (INIS)

Da Silva, Robson; Hoff, Diego A; Rego, Luis G C

2015-01-01

Charge and excitonic-energy transfer phenomena are fundamental for energy conversion in solar cells as well as artificial photosynthesis. Currently, much interest is being paid to light-harvesting and energy transduction processes in supramolecular structures, where nuclear dynamics has a major influence on electronic quantum dynamics. For this reason, the simulation of long range electron transfer in supramolecular structures, under environmental conditions described within an atomistic framework, has been a difficult problem to study. This work describes a coupled quantum mechanics/molecular mechanics method that aims at describing long range charge transfer processes in supramolecular systems, taking into account the atomistic details of large molecular structures, the underlying nuclear motion, and environmental effects. The method is applied to investigate the relevance of electron–nuclei interaction on the mechanisms for photo-induced electron–hole pair separation in dye-sensitized interfaces as well as electronic dynamics in molecular structures. (paper)

An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

International Nuclear Information System (INIS)

Poursina, Mohammad; Anderson, Kurt S.

2014-01-01

This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method

An improved fast multipole method for electrostatic potential calculations in a class of coarse-grained molecular simulations

Science.gov (United States)

Poursina, Mohammad; Anderson, Kurt S.

2014-08-01

This paper presents a novel algorithm to approximate the long-range electrostatic potential field in the Cartesian coordinates applicable to 3D coarse-grained simulations of biopolymers. In such models, coarse-grained clusters are formed via treating groups of atoms as rigid and/or flexible bodies connected together via kinematic joints. Therefore, multibody dynamic techniques are used to form and solve the equations of motion of such coarse-grained systems. In this article, the approximations for the potential fields due to the interaction between a highly negatively/positively charged pseudo-atom and charged particles, as well as the interaction between clusters of charged particles, are presented. These approximations are expressed in terms of physical and geometrical properties of the bodies such as the entire charge, the location of the center of charge, and the pseudo-inertia tensor about the center of charge of the clusters. Further, a novel substructuring scheme is introduced to implement the presented far-field potential evaluations in a binary tree framework as opposed to the existing quadtree and octree strategies of implementing fast multipole method. Using the presented Lagrangian grids, the electrostatic potential is recursively calculated via sweeping two passes: assembly and disassembly. In the assembly pass, adjacent charged bodies are combined together to form new clusters. Then, the potential field of each cluster due to its interaction with faraway resulting clusters is recursively calculated in the disassembly pass. The method is highly compatible with multibody dynamic schemes to model coarse-grained biopolymers. Since the proposed method takes advantage of constant physical and geometrical properties of rigid clusters, improvement in the overall computational cost is observed comparing to the tradition application of fast multipole method.

Calculating and optimizing inter-electrode capacitances of charge division microchannel plate detectors

Energy Technology Data Exchange (ETDEWEB)

Xing, Yan [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Chen, Bo, E-mail: chenb@ciomp.ac.cn [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Zhang, Hong-Ji; Wang, Hai-Feng; He, Ling-Ping [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); Jin, Fang-Yuan [Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)

2016-04-01

Based on the principle of charge division microchannel plate detectors, the inter-electrode capacitances of charge division anodes which are related to electronic noise of the charge sensitive amplifier and crosstalk effect of the anode are presented. Under all the requirements of charge division microchannel plate detectors such as the imaging linearity and spatial resolution, decreasing the inter-electrode capacitances is one way to improve the imaging performance. In this paper, we illustrate the simulation process of calculating the inter-electrode capacitances. Moreover, a Wedge and Strip (WSZ) anode is fabricated with the picosecond laser micromachining process. Comparing the simulated capacitances and measured capacitances, the three-dimensional finite element method is proved to be valid. Furthermore, by adjusting the design parameters of the anode, the effects of the substrate permittivity, insulation width and the size of pitch on the inter-electrode capacitances have been analysed. The structure of the charge division anode has been optimized based on the simulation data.

Study program for constant current capacitor charging method

Energy Technology Data Exchange (ETDEWEB)

Pugh, C.

1978-10-04

The objective of the study program was to determine the best method of charging 20,000 to 132,000 microfarads of capacitance to 22 kVdc in 14 to 15 sec. Component costs, sizes, weights, line current graphs, copies of calculations and manufacturer's data are included.

Static In-wheel Wireless Charging Systems for Electric Vehicles

Directory of Open Access Journals (Sweden)

Chirag Panchal

2017-09-01

Full Text Available Wireless charging is a popular upcoming technology with uses ranging from mobile phone charging through to electric vehicle EV charging. Large air gaps found in current EV wireless charging systems WCS pose a hurdle of its success. Air gaps in WCS cause issues in regards to efficiency power transfer and electromagnetic compatibility EMC leakage issues. A static In-Wheel WCS IW-WCS is presented which significantly reduces the issues associated with large air gaps. A small scale laboratory prototype utilizing a standard 10mm steel reinforced tyre has been created and compared to a typical 30mm air gap. The IW-WCS has been investigated by experimental and finite element method FEM based electro-magnetic field simulation methods to validate performance.

The density functional theory and the charged fluid molecular dynamics

International Nuclear Information System (INIS)

Hansen, J.P.; Zerah, G.

1993-01-01

Car and Parrinello had the idea of combining the density functional theory (Hohenberg, Kohn and Sham) to the 'molecular dynamics' numerical modelling method, in order to simulate metallic or co-valent solids and liquids from the first principles. The objective of this paper is to present a simplified version of this method ab initio, applicable to classical and quantal charged systems. The method is illustrated with recent results on charged colloidal suspensions and highly correlated electron-proton plasmas. 1 fig., 21 refs

Study of talcum charging status in parallel plate electrostatic separator based on particle trajectory analysis

Science.gov (United States)

Yunxiao, CAO; Zhiqiang, WANG; Jinjun, WANG; Guofeng, LI

2018-05-01

Electrostatic separation has been extensively used in mineral processing, and has the potential to separate gangue minerals from raw talcum ore. As for electrostatic separation, the particle charging status is one of important influence factors. To describe the talcum particle charging status in a parallel plate electrostatic separator accurately, this paper proposes a modern images processing method. Based on the actual trajectories obtained from sequence images of particle movement and the analysis of physical forces applied on a charged particle, a numerical model is built, which could calculate the charge-to-mass ratios represented as the charging status of particle and simulate the particle trajectories. The simulated trajectories agree well with the experimental results obtained by images processing. In addition, chemical composition analysis is employed to reveal the relationship between ferrum gangue mineral content and charge-to-mass ratios. Research results show that the proposed method is effective for describing the particle charging status in electrostatic separation.

Numerical simulation of collision-free plasma using Vlasov hybrid simulation

International Nuclear Information System (INIS)

Nunn, D.

1990-01-01

A novel scheme for the numerical simulation of wave particle interactions in space plasmas has been developed. The method, termed VHS or Vlasov Hybrid Simulation, is applicable to hot collision free plasmas in which the unperturbed distribution functions is smooth and free of delta function singularities. The particle population is described as a continuous Vlasov fluid in phase space-granularity and collisional effects being ignored. In traditional PIC/CIC codes the charge/current due to each simulation particle is assigned to a fixed spatial grid. In the VHS method the simulation particles sample the Vlasov fluid and provide information about the value of distribution function (F(r,v) at random points in phase space. Values of F are interpolated from the simulation particles onto a fixed grid in velocity/position or phase space. With distribution function defined on a phase space grid the plasma charge/current field is quickly calculated. The simulation particles serve only to provide information, and thus the particle population may be dynamic. Particles no longer resonant with the wavefield may be discarded from the simulation, and new particles may be inserted into the Vlasov fluid where required

Space Charge Mitigation by Hollow Bunches

CERN Multimedia

Oeftiger, AO

2014-01-01

To satisfy the requirements of the HL-LHC (High Luminosity Large Hadron Collider), the LHC injector chain will need to supply a higher brightness, i.e. deliver the same transverse beam emittances \\epsilon_{x,y} while providing a higher intensity N. However, a larger number of particles per bunch enhances space charge effects. One approach to mitigate the impact of space charge is to change the longitudinal phase space distribution: hollow bunches feature a depleted bunch centre and a densely populated periphery. Thus, the spatial line density maximum is depressed which ultimately decreases the tune spread imposed by space charge. Therefore, a higher intensity can be accepted while keeping the same overall space charge tune shift. 3 different methods to create hollow bunches in the PSBooster are simulated.

Correction of the deterministic part of space–charge interaction in momentum microscopy of charged particles

Energy Technology Data Exchange (ETDEWEB)

Schönhense, G., E-mail: schoenhense@uni-mainz.de [Institut für Physik, Johannes Gutenberg-Universität, 55128 Mainz (Germany); Medjanik, K. [Institut für Physik, Johannes Gutenberg-Universität, 55128 Mainz (Germany); Tusche, C. [Max-Planck-Institut für Mikrostrukturphysik, 06120 Halle (Germany); Loos, M. de; Geer, B. van der [Pulsar Physics, Burghstraat 47, 5614 BC Eindhoven (Netherlands); Scholz, M.; Hieke, F.; Gerken, N. [Physics Department and Center for Free-Electron Laser Science, Univ. Hamburg, 22761 Hamburg (Germany); Kirschner, J. [Max-Planck-Institut für Mikrostrukturphysik, 06120 Halle (Germany); Wurth, W. [Physics Department and Center for Free-Electron Laser Science, Univ. Hamburg, 22761 Hamburg (Germany); DESY Photon Science, 22607 Hamburg (Germany)

2015-12-15

Ultrahigh spectral brightness femtosecond XUV and X-ray sources like free electron lasers (FEL) and table-top high harmonics sources (HHG) offer fascinating experimental possibilities for analysis of transient states and ultrafast electron dynamics. For electron spectroscopy experiments using illumination from such sources, the ultrashort high-charge electron bunches experience strong space–charge interactions. The Coulomb interactions between emitted electrons results in large energy shifts and severe broadening of photoemission signals. We propose a method for a substantial reduction of the effect by exploiting the deterministic nature of space–charge interaction. The interaction of a given electron with the average charge density of all surrounding electrons leads to a rotation of the electron distribution in 6D phase space. Momentum microscopy gives direct access to the three momentum coordinates, opening a path for a correction of an essential part of space–charge interaction. In a first experiment with a time-of-flight momentum microscope using synchrotron radiation at BESSY, the rotation in phase space became directly visible. In a separate experiment conducted at FLASH (DESY), the energy shift and broadening of the photoemission signals were quantified. Finally, simulations of a realistic photoemission experiment including space–charge interaction reveals that a gain of an order of magnitude in resolution is possible using the correction technique presented here. - Highlights: • Photoemission spectromicroscopy with high-brightness pulsed sources is examined. • Deterministic interaction of an electron with the average charge density can be corrected. • Requires a cathode-lens type microscope optimized for best k-resolution in reciprocal plane. • Extractor field effectively separates pencil beam of secondary electrons from true signal. • Simulations reveal one order of magnitude gain in resolution.

Charge collection and space charge distribution in neutron-irradiated epitaxial silicon detectors

International Nuclear Information System (INIS)

Poehlsen, Thomas

2010-04-01

In this work epitaxial n-type silicon diodes with a thickness of 100 μm and 150 μm are investigated. After neutron irradiation with fluences between 10 14 cm -2 and 4 x 10 15 cm -2 annealing studies were performed. CV-IV curves were taken and the depletion voltage was determined for different annealing times. All investigated diodes with neutron fluences greater than 2 x 10 14 cm -2 showed type inversion due to irradiation. Measurements with the transient current technique (TCT) using a pulsed laser were performed to investigate charge collection effects for temperatures of -40 C, -10 C and 20 C. The charge correction method was used to determine the effective trapping time τ eff . Inconsistencies of the results could be explained by assuming field dependent trapping times. A simulation of charge collection could be used to determine the field dependent trapping time τ eff (E) and the space charge distribution in the detector bulk. Assuming a linear field dependence of the trapping times and a linear space charge distribution the data could be described. Indications of charge multiplication were seen in the irradiated 100 μm thick diodes for all investigated fluences at voltages above 800 V. The space charge distribution extracted from TCT measurements was compared to the results of the CV measurements and showed good agreement. (orig.)

Ion association at discretely-charged dielectric interfaces: Giant charge inversion [Dielectric response controlled ion association at physically heterogeneous surfaces: Giant charge reversal

Energy Technology Data Exchange (ETDEWEB)

Wang, Zhi -Yong [Chongqing Univ. of Technology, Chongqing (China); Univ. of California, Riverside, CA (United States); Wu, Jianzhong [Univ. of California, Riverside, CA (United States)

2017-07-11

Giant charge reversal has been identified for the first time by Monte Carlo simulation for a discretely charged surface in contact with a trivalent electrolyte solution. It takes place regardless of the surface charge density under study and the monovalent salt. In stark contrast to earlier predictions based on the 2-dimensional Wigner crystal model to describe strong correlation of counterions at the macroion surface, we find that giant charge reversal reflects an intricate interplay of ionic volume effects, electrostatic correlations, surface charge heterogeneity, and the dielectric response of the confined fluids. While the novel phenomenon is yet to be confirmed with experiment, the simulation results appear in excellent agreement with a wide range of existing observations in the subregime of charge inversion. Lastly, our findings may have far-reaching implications to understanding complex electrochemical phenomena entailing ionic fluids under dielectric confinements.

The single-sink fixed-charge transportation problem: Applications and solution methods

DEFF Research Database (Denmark)

Goertz, Simon; Klose, Andreas

2007-01-01

The single-sink fixed-charge transportation problem (SSFCTP) consists in finding a minimum cost flow from a number of supplier nodes to a single demand node. Shipping costs comprise costs proportional to the amount shipped as well as a fixed-charge. Although the SSFCTP is an important special case...... of the well-known fixed-charge transportation problem, just a few methods for solving this problem have been proposed in the literature. After summarising some applications of this problem arising in manufacturing and transportation, we give an overview on approximation algorithms and worst-case results...

Variational Symplectic Integrator for Long-Time Simulations of the Guiding-Center Motion of Charged Particles in General Magnetic Fields

International Nuclear Information System (INIS)

Qin Hong; Guan Xiaoyin

2008-01-01

A variational symplectic integrator for the guiding-center motion of charged particles in general magnetic fields is developed for long-time simulation studies of magnetized plasmas. Instead of discretizing the differential equations of the guiding-center motion, the action of the guiding-center motion is discretized and minimized to obtain the iteration rules for advancing the dynamics. The variational symplectic integrator conserves exactly a discrete Lagrangian symplectic structure, and has better numerical properties over long integration time, compared with standard integrators, such as the standard and variable time-step fourth order Runge-Kutta methods

Variational Symplectic Integrator for Long-Time Simulations of the Guiding-Center Motion of Charged Particles in General Magnetic Fields

International Nuclear Information System (INIS)

Qin, H.; Guan, X.

2008-01-01

A variational symplectic integrator for the guiding-center motion of charged particles in general magnetic fields is developed for long-time simulation studies of magnetized plasmas. Instead of discretizing the differential equations of the guiding-center motion, the action of the guiding-center motion is discretized and minimized to obtain the iteration rules for advancing the dynamics. The variational symplectic integrator conserves exactly a discrete Lagrangian symplectic structure, and has better numerical properties over long integration time, compared with standard integrators, such as the standard and variable time-step fourth order Runge-Kutta methods.

Effect of the space charge layer on pre-transition corrosion rate of Zr alloys

International Nuclear Information System (INIS)

Nanikawa, S.; Etoh, Y.

1998-01-01

The pre- and post-transition oxide films formed in steam at 673 K were investigated by an AC impedance method. The results showed that the space charge layer was present in the pre-transition oxide film and it was absent in the post-transition oxide film. The oxidation kinetics was simulated by oxygen diffusion in the space charge layer. Cubic or one-fourth power law was explained by the effect of the space charge layer. Supposing that the space charge layer formed the potential difference through the oxide film by 0.7 V, calculated oxidation kinetics agreed with the experimental one before transition. This potential difference corresponded to the measured value by AC impedance method within the experimental error. Shadow effect could be explained by this simulation supposing the disappearance of the space charge layer due to the formation of a negative electric field by β-rays. (author)

Development and a Validation of a Charge Sensitive Organic Rankine Cycle (ORC Simulation Tool

Directory of Open Access Journals (Sweden)

Davide Ziviani

2016-05-01

Full Text Available Despite the increasing interest in organic Rankine cycle (ORC systems and the large number of cycle models proposed in the literature, charge-based ORC models are still almost absent. In this paper, a detailed overall ORC simulation model is presented based on two solution strategies: condenser subcooling and total working fluid charge of the system. The latter allows the subcooling level to be predicted rather than specified as an input. The overall cycle model is composed of independent models for pump, expander, line sets, liquid receiver and heat exchangers. Empirical and semi-empirical models are adopted for the pump and expander, respectively. A generalized steady-state moving boundary method is used to model the heat exchangers. The line sets and liquid receiver are used to better estimate the total charge of the system and pressure drops. Finally, the individual components are connected to form a cycle model in an object-oriented fashion. The solution algorithm includes a preconditioner to guess reasonable values for the evaporating and condensing temperatures and a main cycle solver loop which drives to zero a set of residuals to ensure the convergence of the solution. The model has been developed in the Python programming language. A thorough validation is then carried out against experimental data obtained from two test setups having different nominal size, working fluids and individual components: (i a regenerative ORC with a 5 kW scroll expander and an oil flooding loop; (ii a regenerative ORC with a 11 kW single-screw expander. The computer code is made available through open-source dissemination.

Economic Analysis of Different Electric Vehicle Charging Scenarios

Science.gov (United States)

Ying, Li; Haiming, Zhou; Xiufan, Ma; Hao, Wang

2017-05-01

Influence of electric vehicles (EV) to grid cannot be ignored. Research on the economy analysis of different charging scenarios is helpful to guide the user to charge or discharge orderly. EV charging models are built such as disordered charging, valley charging, intelligent charging, and V2G (Vehicle to Grid), by which changes of charging load in different scenarios can be seen to analyze the influence to initial load curve, and comparison can be done about user’s average cost. Monte Carlo method is used to simulate the electric vehicle charging behavior, cost in different charging scenarios are compared, social cost is introduced in V2G scene, and the relationship between user’s average cost and social cost is analyzed. By test, it is proved that user’s cost is the lowest in V2G scenario, and the larger the scale of vehicles is, the more the social cost can save.

Comparison of two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam

International Nuclear Information System (INIS)

Whitaker, Thomas J.; Beltran, Chris; Tryggestad, Erik; Kruse, Jon J.; Remmes, Nicholas B.; Tasson, Alexandria; Herman, Michael G.; Bues, Martin

2014-01-01

Purpose: Delayed charge is a small amount of charge that is delivered to the patient after the planned irradiation is halted, which may degrade the quality of the treatment by delivering unwarranted dose to the patient. This study compares two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam. Methods: The delivery of several treatment plans was simulated by applying a normally distributed value of delayed charge, with a mean of 0.001(SD 0.00025) MU, to each spot. Two correction methods were used to account for the delayed charge. Method one (CM1), which is in active clinical use, accounts for the delayed charge by adjusting the MU of the current spot based on the cumulative MU. Method two (CM2) in addition reduces the planned MU by a predicted value. Every fraction of a treatment was simulated using each method and then recomputed in the treatment planning system. The dose difference between the original plan and the sum of the simulated fractions was evaluated. Both methods were tested in a water phantom with a single beam and simple target geometry. Two separate phantom tests were performed. In one test the dose per fraction was varied from 0.5 to 2 Gy using 25 fractions per plan. In the other test the number fractions were varied from 1 to 25, using 2 Gy per fraction. Three patient plans were used to determine the effect of delayed charge on the delivered dose under realistic clinical conditions. The order of spot delivery using CM1 was investigated by randomly selecting the starting spot for each layer, and by alternating per layer the starting spot from first to last. Only discrete spot scanning was considered in this study. Results: Using the phantom setup and varying the dose per fraction, the maximum dose difference for each plan of 25 fractions was 0.37–0.39 Gy and 0.03–0.05 Gy for CM1 and CM2, respectively. While varying the total number of fractions, the maximum dose

Improving radiation hardness in space-based Charge-Coupled Devices through the narrowing of the charge transfer channel

Science.gov (United States)

Hall, D. J.; Skottfelt, J.; Soman, M. R.; Bush, N.; Holland, A.

2017-12-01

Charge-Coupled Devices (CCDs) have been the detector of choice for imaging and spectroscopy in space missions for several decades, such as those being used for the Euclid VIS instrument and baselined for the SMILE SXI. Despite the many positive properties of CCDs, such as the high quantum efficiency and low noise, when used in a space environment the detectors suffer damage from the often-harsh radiation environment. High energy particles can create defects in the silicon lattice which act to trap the signal electrons being transferred through the device, reducing the signal measured and effectively increasing the noise. We can reduce the impact of radiation on the devices through four key methods: increased radiation shielding, device design considerations, optimisation of operating conditions, and image correction. Here, we concentrate on device design operations, investigating the impact of narrowing the charge-transfer channel in the device with the aim of minimising the impact of traps during readout. Previous studies for the Euclid VIS instrument considered two devices, the e2v CCD204 and CCD273, the serial register of the former having a 50 μm channel and the latter having a 20 μm channel. The reduction in channel width was previously modelled to give an approximate 1.6× reduction in charge storage volume, verified experimentally to have a reduction in charge transfer inefficiency of 1.7×. The methods used to simulate the reduction approximated the charge cloud to a sharp-edged volume within which the probability of capture by traps was 100%. For high signals and slow readout speeds, this is a reasonable approximation. However, for low signals and higher readout speeds, the approximation falls short. Here we discuss a new method of simulating and calculating charge storage variations with device design changes, considering the absolute probability of capture across the pixel, bringing validity to all signal sizes and readout speeds. Using this method, we

Study of the BRS charge in the Polyakov string by the Kugo-Ojima method

Energy Technology Data Exchange (ETDEWEB)

Abad, J.; Rodriguez-Trias, R. (Zaragoza Univ. (Spain). Facultad de Ciencias)

1988-01-01

Using the method of Kugo and Ojima the authors obtain the Becchi-Rouet-Stora charge in the string theory proposed by Polyakov. When a conformal improved energy-momentum tensor is used, they obtain the same BRS charge that emerges from other methods.

Precise charge density studies by maximum entropy method

CERN Document Server

Takata, M

2003-01-01

For the production research and development of nanomaterials, their structural information is indispensable. Recently, a sophisticated analytical method, which is based on information theory, the Maximum Entropy Method (MEM) using synchrotron radiation powder data, has been successfully applied to determine precise charge densities of metallofullerenes and nanochannel microporous compounds. The results revealed various endohedral natures of metallofullerenes and one-dimensional array formation of adsorbed gas molecules in nanochannel microporous compounds. The concept of MEM analysis was also described briefly. (author)

Charge Fluctuations in Nanoscale Capacitors

Science.gov (United States)

Limmer, David T.; Merlet, Céline; Salanne, Mathieu; Chandler, David; Madden, Paul A.; van Roij, René; Rotenberg, Benjamin

2013-09-01

The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular dynamics simulations in a constant-potential ensemble with histogram reweighting techniques. This approach offers, in particular, an efficient, accurate, and physically insightful route to the differential capacitance that is broadly applicable. We demonstrate these methods with three different capacitors: pure water between platinum electrodes and a pure as well as a solvent-based organic electrolyte each between graphite electrodes. The total charge distributions with the pure solvent and solvent-based electrolytes are remarkably Gaussian, while in the pure ionic liquid the total charge distribution displays distinct non-Gaussian features, suggesting significant potential-driven changes in the organization of the interfacial fluid.

Charge fluctuations in nanoscale capacitors.

Science.gov (United States)

Limmer, David T; Merlet, Céline; Salanne, Mathieu; Chandler, David; Madden, Paul A; van Roij, René; Rotenberg, Benjamin

2013-09-06

The fluctuations of the charge on an electrode contain information on the microscopic correlations within the adjacent fluid and their effect on the electronic properties of the interface. We investigate these fluctuations using molecular dynamics simulations in a constant-potential ensemble with histogram reweighting techniques. This approach offers, in particular, an efficient, accurate, and physically insightful route to the differential capacitance that is broadly applicable. We demonstrate these methods with three different capacitors: pure water between platinum electrodes and a pure as well as a solvent-based organic electrolyte each between graphite electrodes. The total charge distributions with the pure solvent and solvent-based electrolytes are remarkably Gaussian, while in the pure ionic liquid the total charge distribution displays distinct non-Gaussian features, suggesting significant potential-driven changes in the organization of the interfacial fluid.

Ionization detector, electrode configuration and single polarity charge detection method

Science.gov (United States)

He, Z.

1998-07-07

An ionization detector, an electrode configuration and a single polarity charge detection method each utilize a boundary electrode which symmetrically surrounds first and second central interlaced and symmetrical electrodes. All of the electrodes are held at a voltage potential of a first polarity type. The first central electrode is held at a higher potential than the second central or boundary electrodes. By forming the first and second central electrodes in a substantially interlaced and symmetrical pattern and forming the boundary electrode symmetrically about the first and second central electrodes, signals generated by charge carriers are substantially of equal strength with respect to both of the central electrodes. The only significant difference in measured signal strength occurs when the charge carriers move to within close proximity of the first central electrode and are received at the first central electrode. The measured signals are then subtracted and compared to quantitatively measure the magnitude of the charge. 10 figs.

Simulation study of signal formation in position sensitive planar p-on-n silicon detectors after short range charge injection

International Nuclear Information System (INIS)

Peltola, T.; Eremin, V.; Verbitskaya, E.; Härkönen, J.

2017-01-01

Segmented silicon detectors (micropixel and microstrip) are the main type of detectors used in the inner trackers of Large Hadron Collider (LHC) experiments at CERN. Due to the high luminosity and eventual high fluence of energetic particles, detectors with fast response to fit the short shaping time of 20–25 ns and sufficient radiation hardness are required. Charge collection measurements carried out at the Ioffe Institute have shown a reversal of the pulse polarity in the detector response to short-range charge injection. Since the measured negative signal is about 30–60% of the peak positive signal, the effect strongly reduces the CCE even in non-irradiated detectors. For further investigation of the phenomenon the measurements have been reproduced by TCAD simulations. As for the measurements, the simulation study was applied for the p-on-n strip detectors similar in geometry to those developed for the ATLAS experiment and for the Ioffe Institute designed p-on-n strip detectors with each strip having a window in the metallization covering the p + implant, allowing the generation of electron-hole pairs under the strip implant. Red laser scans across the strips and the interstrip gap with varying laser diameters and Si-SiO 2 interface charge densities ( Q f ) were carried out. The results verify the experimentally observed negative response along the scan in the interstrip gap. When the laser spot is positioned on the strip p + implant the negative response vanishes and the collected charge at the active strip increases respectively. The simulation results offer a further insight and understanding of the influence of the oxide charge density in the signal formation. The main result of the study is that a threshold value of Q f , that enables negligible losses of collected charges, is defined. The observed effects and details of the detector response for different charge injection positions are discussed in the context of Ramo's theorem.

Simulation study of signal formation in position sensitive planar p-on-n silicon detectors after short range charge injection

Science.gov (United States)

Peltola, T.; Eremin, V.; Verbitskaya, E.; Härkönen, J.

2017-09-01

Segmented silicon detectors (micropixel and microstrip) are the main type of detectors used in the inner trackers of Large Hadron Collider (LHC) experiments at CERN. Due to the high luminosity and eventual high fluence of energetic particles, detectors with fast response to fit the short shaping time of 20-25 ns and sufficient radiation hardness are required. Charge collection measurements carried out at the Ioffe Institute have shown a reversal of the pulse polarity in the detector response to short-range charge injection. Since the measured negative signal is about 30-60% of the peak positive signal, the effect strongly reduces the CCE even in non-irradiated detectors. For further investigation of the phenomenon the measurements have been reproduced by TCAD simulations. As for the measurements, the simulation study was applied for the p-on-n strip detectors similar in geometry to those developed for the ATLAS experiment and for the Ioffe Institute designed p-on-n strip detectors with each strip having a window in the metallization covering the p+ implant, allowing the generation of electron-hole pairs under the strip implant. Red laser scans across the strips and the interstrip gap with varying laser diameters and Si-SiO2 interface charge densities (Qf) were carried out. The results verify the experimentally observed negative response along the scan in the interstrip gap. When the laser spot is positioned on the strip p+ implant the negative response vanishes and the collected charge at the active strip increases respectively. The simulation results offer a further insight and understanding of the influence of the oxide charge density in the signal formation. The main result of the study is that a threshold value of Qf, that enables negligible losses of collected charges, is defined. The observed effects and details of the detector response for different charge injection positions are discussed in the context of Ramo's theorem.

Development of electrostatic charging evaluation equipment for automobile seat; Jidoshayo seat no taidensei shiken hyoka sochi no kaihatsu

Energy Technology Data Exchange (ETDEWEB)

Maeda, K [Mazda Motor Corp., Hiroshima (Japan)

1997-10-01

When passengers get out of vehicle, electrostatics is generated by separation of seat cloth and passenger cloth, and then charged to passenger`s body. It has been impossible for us to simulate this induction charging phenomenon with current evaluation equipments. We developed a new seat cloth evaluation equipments using induction charging plate, which enables us to simulate the phenomenon. This paper describes this new electrostatic charging evaluation method for automobile seat cloth. 5 refs., 6 figs.

Energy loss of a high charge bunched electron beam in plasma: Simulations, scaling, and accelerating wakefields

Directory of Open Access Journals (Sweden)

J. B. Rosenzweig

2004-06-01

Full Text Available The energy loss and gain of a beam in the nonlinear, “blowout” regime of the plasma wakefield accelerator, which features ultrahigh accelerating fields, linear transverse focusing forces, and nonlinear plasma motion, has been asserted, through previous observations in simulations, to scale linearly with beam charge. Additionally, from a recent analysis by Barov et al., it has been concluded that for an infinitesimally short beam, the energy loss is indeed predicted to scale linearly with beam charge for arbitrarily large beam charge. This scaling is predicted to hold despite the onset of a relativistic, nonlinear response by the plasma, when the number of beam particles occupying a cubic plasma skin depth exceeds that of plasma electrons within the same volume. This paper is intended to explore the deviations from linear energy loss using 2D particle-in-cell simulations that arise in the case of experimentally relevant finite length beams. The peak accelerating field in the plasma wave excited behind the finite-length beam is also examined, with the artifact of wave spiking adding to the apparent persistence of linear scaling of the peak field amplitude into the nonlinear regime. At large enough normalized charge, the linear scaling of both decelerating and accelerating fields collapses, with serious consequences for plasma wave excitation efficiency. Using the results of parametric particle-in-cell studies, the implications of these results for observing severe deviations from linear scaling in present and planned experiments are discussed.

Effects of Turbulent Magnetic Fields on the Transport and Acceleration of Energetic Charged Particles: Numerical Simulations with Application to Heliospheric Physics

Science.gov (United States)

Guo, Fan

2012-11-01

Turbulent magnetic fields are ubiquitous in space physics and astrophysics. The influence of magnetic turbulence on the motions of charged particles contains the essential physics of the transport and acceleration of energetic charged particles in the heliosphere, which is to be explored in this thesis. After a brief introduction on the energetic charged particles and magnetic fields in the heliosphere, the rest of this dissertation focuses on three specific topics: 1. the transport of energetic charged particles in the inner heliosphere, 2. the acceleration of ions at collisionless shocks, and 3. the acceleration of electrons at collisionless shocks. We utilize various numerical techniques to study these topics. In Chapter 2 we study the propagation of charged particles in turbulent magnetic fields similar to the propagation of solar energetic particles in the inner heliosphere. The trajectories of energetic charged particles in the turbulent magnetic field are numerically integrated. The turbulence model includes a Kolmogorov-like magnetic field power spectrum containing a broad range of scales from those that lead to large-scale field-line random walk to small scales leading to resonant pitch-angle scattering of energetic particles. We show that small-scale variations in particle intensities (the so-called "dropouts") and velocity dispersions observed by spacecraft can be reproduced using this method. Our study gives a new constraint on the error of "onset analysis", which is a technique commonly used to infer information about the initial release of energetic particles. We also find that the dropouts are rarely produced in the simulations using the so-called "two-component" magnetic turbulence model (Matthaeus et al., 1990). The result questions the validity of this model in studying particle transport. In the first part of Chapter 3 we study the acceleration of ions in the existence of turbulent magnetic fields. We use 3-D self-consistent hybrid simulations

Dual initiation strip charge apparatus and methods for making and implementing the same

Science.gov (United States)

Jakaboski, Juan-Carlos [Albuquerque, NM; Todd,; Steven, N [Rio Rancho, NM; Polisar, Stephen [Albuquerque, NM; Hughs, Chance [Tijeras, NM

2011-03-22

A Dual Initiation Strip Charge (DISC) apparatus is initiated by a single initiation source and detonates a strip of explosive charge at two separate contacts. The reflection of explosively induced stresses meet and create a fracture and breach a target along a generally single fracture contour and produce generally fragment-free scattering and no spallation. Methods for making and implementing a DISC apparatus provide numerous advantages over previous methods of creating explosive charges by utilizing steps for rapid prototyping; by implementing efficient steps and designs for metering consistent, repeatable, and controlled amount of high explosive; and by utilizing readily available materials.

Methods for simulating turbulent phase screen

International Nuclear Information System (INIS)

Zhang Jianzhu; Zhang Feizhou; Wu Yi

2012-01-01

Some methods for simulating turbulent phase screen are summarized, and their characteristics are analyzed by calculating the phase structure function, decomposing phase screens into Zernike polynomials, and simulating laser propagation in the atmosphere. Through analyzing, it is found that, the turbulent high-frequency components are well contained by those phase screens simulated by the FFT method, but the low-frequency components are little contained. The low-frequency components are well contained by screens simulated by Zernike method, but the high-frequency components are not contained enough. The high frequency components contained will be improved by increasing the order of the Zernike polynomial, but they mainly lie in the edge-area. Compared with the two methods above, the fractal method is a better method to simulate turbulent phase screens. According to the radius of the focal spot and the variance of the focal spot jitter, there are limitations in the methods except the fractal method. Combining the FFT and Zernike method or combining the FFT method and self-similar theory to simulate turbulent phase screens is an effective and appropriate way. In general, the fractal method is probably the best way. (authors)

A method for determination of the superficial charge density

International Nuclear Information System (INIS)

Vila, F.

1992-10-01

In this article is presented a new methodism for determination of superficial charge density in nonconducting materials which is based in the combination of laboratory calibrated experiments in conducting surfaces with theoretical calculations for nonconducting surfaces. (author). 19 refs, 7 figs, 1 tab

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

Science.gov (United States)

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

2011-08-28

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

Experimental research on charging characteristics of a solar photovoltaic system by the pressure-control method

Institute of Scientific and Technical Information of China (English)

Hua ZHU; Zhang-lu XU; Zi-juan CAO

2011-01-01

The charging characteristics of the valve-regulated lead acid (VRLA) battery driven by solar energy were experimentally studied through the pressure-control method in this paper. The aims of the research were to increase charging efficiency to make the most of solar energy and to improve charging quality to prolong life of battery. The charging process of a 12 V 12 A.h VRLA battery has been tested under the mode of a stand-alone photovoltaic (PV) system. Results show that the pressure-control method can effectively control PV charging of the VRLA battery and make the best of PV cells through the maximum power point tracking (MPPT). The damage of VRLA battery by excess oxygen accumulation can be avoided through the inner pressure control of VRLA battery. Parameters such as solar radiation intensity, charging power, inner pressure of the battery, and charging current and voltage during the charging process were measured and analyzed.

Comparison of two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam.

Science.gov (United States)

Whitaker, Thomas J; Beltran, Chris; Tryggestad, Erik; Bues, Martin; Kruse, Jon J; Remmes, Nicholas B; Tasson, Alexandria; Herman, Michael G

2014-08-01

Delayed charge is a small amount of charge that is delivered to the patient after the planned irradiation is halted, which may degrade the quality of the treatment by delivering unwarranted dose to the patient. This study compares two methods for minimizing the effect of delayed charge on the dose delivered with a synchrotron based discrete spot scanning proton beam. The delivery of several treatment plans was simulated by applying a normally distributed value of delayed charge, with a mean of 0.001(SD 0.00025) MU, to each spot. Two correction methods were used to account for the delayed charge. Method one (CM1), which is in active clinical use, accounts for the delayed charge by adjusting the MU of the current spot based on the cumulative MU. Method two (CM2) in addition reduces the planned MU by a predicted value. Every fraction of a treatment was simulated using each method and then recomputed in the treatment planning system. The dose difference between the original plan and the sum of the simulated fractions was evaluated. Both methods were tested in a water phantom with a single beam and simple target geometry. Two separate phantom tests were performed. In one test the dose per fraction was varied from 0.5 to 2 Gy using 25 fractions per plan. In the other test the number fractions were varied from 1 to 25, using 2 Gy per fraction. Three patient plans were used to determine the effect of delayed charge on the delivered dose under realistic clinical conditions. The order of spot delivery using CM1 was investigated by randomly selecting the starting spot for each layer, and by alternating per layer the starting spot from first to last. Only discrete spot scanning was considered in this study. Using the phantom setup and varying the dose per fraction, the maximum dose difference for each plan of 25 fractions was 0.37-0.39 Gy and 0.03-0.05 Gy for CM1 and CM2, respectively. While varying the total number of fractions, the maximum dose difference increased at a rate

Charge collection and space charge distribution in neutron-irradiated epitaxial silicon detectors

Energy Technology Data Exchange (ETDEWEB)

Poehlsen, Thomas

2010-04-15

In this work epitaxial n-type silicon diodes with a thickness of 100 {mu}m and 150 {mu}m are investigated. After neutron irradiation with fluences between 10{sup 14} cm{sup -2} and 4 x 10{sup 15} cm{sup -2} annealing studies were performed. CV-IV curves were taken and the depletion voltage was determined for different annealing times. All investigated diodes with neutron fluences greater than 2 x 10{sup 14} cm{sup -2} showed type inversion due to irradiation. Measurements with the transient current technique (TCT) using a pulsed laser were performed to investigate charge collection effects for temperatures of -40 C, -10 C and 20 C. The charge correction method was used to determine the effective trapping time {tau}{sub eff}. Inconsistencies of the results could be explained by assuming field dependent trapping times. A simulation of charge collection could be used to determine the field dependent trapping time {tau}{sub eff}(E) and the space charge distribution in the detector bulk. Assuming a linear field dependence of the trapping times and a linear space charge distribution the data could be described. Indications of charge multiplication were seen in the irradiated 100 {mu}m thick diodes for all investigated fluences at voltages above 800 V. The space charge distribution extracted from TCT measurements was compared to the results of the CV measurements and showed good agreement. (orig.)

Model-Independent Characterization of Charge Diffusion in Thick Fully Depleted CCDs

International Nuclear Information System (INIS)

O'Connor, P.; Takacs, P.; Lawrence, D.; Frank, J.

2011-01-01

We present a new method to measure charge diffusion in charge-coupled devices (CCDs). The method is based on a statistical characterization of the shapes of charge clouds produced by low-energy X-rays using known properties of the two-dimensional Gaussian point-spread function (PSF). The algorithm produces reliable upper and lower bounds on the size of the PSF for photons converting near the entrance window of a device. It is optimally suited to the case of thick back-illuminated CCDs where the X-ray absorption length is smaller than the silicon thickness and the diffusion scale is of the same order as the pixel size. The only assumptions are that the charge cloud width is a monotonically increasing function of distance from the conversion point to the buried channel, and that the conversion probability is peaked at the surface. Otherwise, no physical models of carrier transport or knowledge of the electric field profile in the CCD are needed. In suboptimal conditions, the upper bound increases and the lower bound is unaffected, so confidence in the correctness of results is retained. The new method has been benchmarked against Monte Carlo simulations and tested on X-ray images measured on thick high-resistivity prototype CCDs for the Large Synoptic Survey Telescope. In Monte Carlo simulations of noiseless images having the optimal diffusion scale, the upper bound approximated the true PSF within 5%, increasing to 10% in simulations with added noise. Even with severely undersampled or truncated PSFs, the method brackets the true value to within 25%. Our method is accurate and computationally efficient and offers a fast and simple experimental setup.

A new method for measuring the wall charge waveforms of AC PDP

International Nuclear Information System (INIS)

Liang Zhihu; Liu Zujun; Liu Chunliang

2004-01-01

A new method is developed to measure the wall charge waveforms in coplanar alternating current plasma display panel (AC PDP). In the method, two groups of display electrodes are selected from a coplanar AC PDP and two capacitors are respectively connected with these two groups of display electrodes in series, and a measuring circuit and a reference circuit are thus constructed. With the help of special processing, discharge takes place in the cells included in the measuring circuit under a normal drive voltage but no discharge takes place in the cells included in the reference circuit under a normal drive voltage. The wall charge waveforms are obtained from the voltage difference between the two capacitors. Using the method, the wall charge waveforms are measured during resetting period, addressing period and sustaining period for the 304.8 mm (12-inch) test PDP panel. The result shows that the wall voltage is about 96 V during the sustaining period. (authors)

The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids

Energy Technology Data Exchange (ETDEWEB)

Zolghadr, Amin Reza, E-mail: arzolghadr@shirazu.ac.ir [Department of Chemistry, Shiraz University, Shiraz 71946-84795 (Iran, Islamic Republic of); Ghatee, Mohammad Hadi [Department of Chemistry, Shiraz University, Shiraz 71946-84795 (Iran, Islamic Republic of); Moosavi, Fatemeh [Department of Chemistry, Ferdowsi University of Mashhad, Mashhad 91779 (Iran, Islamic Republic of)

2016-08-22

Partial atomic charges using various quantum mechanical calculations for [C{sub n}mim]Cl (n = 1, 4) ionic liquids (ILs) are obtained and used for development of molecular dynamics simulation (MD) force fields. The isolated ion pairs are optimized using HF, B3LYP, and MP2 methods for electronic structure with 6-311++G(d,p) basis set. Partial atomic charges are assigned to the atomic center with CHELPG and NBO methods. The effect of these sets of partial charges on the static and dynamic properties of ILs is evaluated by performing a series of MD simulations and comparing the essential thermodynamic properties with the available experimental data and available molecular dynamics simulation results. In contrast to the general trends reported for ionic liquids with BF{sub 4}, PF{sub 6}, and iodide anions (in which restrained electrostatic potential (RESP) charges are preferred), partial charges derived by B3LYP-NBO method are relatively good in prediction of the structural, dynamical, and thermodynamic energetic properties of the chloride based ILs.

Charging valve of the full hydraulic braking system

Directory of Open Access Journals (Sweden)

Jinshi Chen

2016-03-01

Full Text Available It is known that the full hydraulic braking system has excellent braking performance. As the key component of the full hydraulic braking system, the parameters of the accumulator charging valve have a significant effect on the braking performance. In this article, the key parameters of the charging valve are analyzed through the static theoretical and an Advanced Modeling Environment for performing Simulation of engineering systems (AMESim simulation model of the dual-circuit accumulator charging valve is established based on the real structure parameters first. Second, according to the results of the dynamic simulation, the dynamic characteristics of the charging pressure, the flow rate, and the frequency of the charging valve are studied. The key parameters affecting the serial production are proposed and some technical advices for improving the performance of the full hydraulic system are provided. Finally, the theoretical analysis is validated by the simulation results. The comparison between the simulation results and the experimental results indicates that the simulated AMESim model of the charging valve is accurate and credible with the error rate inside 0.5% compared with the experimental result. Hence, the performance of the charging valve meets the request of the full hydraulic braking system exactly.

Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.

Science.gov (United States)

Gan, Zecheng; Xing, Xiangjun; Xu, Zhenli

2012-07-21

We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.

Development of a self-consistent model of dust grain charging at elevated pressures using the method of moments

International Nuclear Information System (INIS)

Filippov, A.V.; Dyatko, N.A.; Pal', A.F.; Starostin, A.N.

2003-01-01

A model of dust grain charging is constructed using the method of moments. The dust grain charging process in a weakly ionized helium plasma produced by a 100-keV electron beam at atmospheric pressure is studied theoretically. In simulations, the beam current density was varied from 1 to 10 6 μA/cm 2 . It is shown that, in a He plasma, dust grains of radius 5 μm and larger perturb the electron temperature only slightly, although the reduced electric field near the grain reaches 8 Td, the beam current density being 10 6 μA/cm 2 . It is found that, at distances from the grain that are up to several tens or hundreds of times larger than its radius, the electron and ion densities are lower than their equilibrium values. Conditions are determined under which the charging process may be described by a model with constant electron transport coefficients. The dust grain charge is shown to be weakly affected by secondary electron emission. In a beam-produced helium plasma, the dust grain potential calculated in the drift-diffusion model is shown to be close to that calculated in the orbit motion limited model. It is found that, in the vicinity of a body perturbing the plasma, there may be no quasineutral plasma presheath with an ambipolar diffusion of charged particles. The conditions for the onset of this presheath in a beam-produced plasma are determined

SPICE analysis of the charge division in resistive semiconductor nanowire diodes

International Nuclear Information System (INIS)

Guardiola, C; Money, K; Carabe, A

2014-01-01

In this paper we present an analysis of the charge division method in semiconductor nanowire Schottky diodes using an electrical model based on the SPICE simulation code. A semiconductor nanowire prototype that is simulated as an RC network and two readout electronic systems are modelled in order to understand its behaviour and to assess its application as a possible ionizing particle detector in clinical high-LET particle beams. We study the use of resistive charge division along the semiconductor nanowire to calculate the position of deposited charge generated by an ionizing particle as it crosses the nanodevice and to determine the minimal viable spatial resolution. Our aim is to demonstrate the charge division concept in resistive semiconductor nanowire diodes, and to subsequently understand the performance of these nanodevices as radiation sensors and address the design limitations of such an application

Atomistic simulation on charge mobility of amorphous tris(8-hydroxyquinoline) aluminum (Alq3): origin of Poole-Frenkel-type behavior.

Science.gov (United States)

Nagata, Yuki; Lennartz, Christian

2008-07-21

The atomistic simulation of charge transfer process for an amorphous Alq(3) system is reported. By employing electrostatic potential charges, we calculate site energies and find that the standard deviation of site energy distribution is about twice as large as predicted in previous research. The charge mobility is calculated via the Miller-Abrahams formalism and the master equation approach. We find that the wide site energy distribution governs Poole-Frenkel-type behavior of charge mobility against electric field, while the spatially correlated site energy is not a dominant mechanism of Poole-Frenkel behavior in the range from 2x10(5) to 1.4x10(6) V/cm. Also we reveal that randomly meshed connectivities are, in principle, required to account for the Poole-Frenkel mechanism. Charge carriers find a zigzag pathway at low electric field, while they find a straight pathway along electric field when a high electric field is applied. In the space-charge-limited current scheme, the charge-carrier density increases with electric field strength so that the nonlinear behavior of charge mobility is enhanced through the strong charge-carrier density dependence of charge mobility.

Numerical Study of Charged Inertial Particles in Turbulence using a Coupled Fluid-P3M Approach

Science.gov (United States)

Yao, Yuan; Capecelatro, Jesse

2017-11-01

Non-trivial interactions between charged particles and turbulence play an important role in many engineering and environmental flows, including clouds, fluidized bed reactors, charged hydrocarbon sprays and dusty plasmas. Due to the long-range nature of electrostatic forces, Coulomb interactions in systems with many particles must be handled carefully to avoid O(N2) computations. The particle-mesh (PM) method is typically employed in Eulerian-Lagrangian (EL) simulations as it avoids computing direct pairwise sums, but it fails to capture short-range interactions that are anticipated to be important when particles cluster. In this presentation, the particle-particle-particle-mesh (P3M) method that scales with O(NlogN) is implemented within a EL framework to simulate charged particles accurately in a tractable manner. The EL-P3M method is used to assess the competition between drag and Coulomb forces for a range of Stokes numbers and charges. Simulations of like- and oppositely-charged particles suspended in a two-dimensional Taylor-Green vortex and three-dimensional homogeneous isotropic turbulence are reported. One-point and two-point statistics obtained using PM and P3M are compared to assess the effect of added accuracy on collision rate and clustering.

Charge transport in amorphous organic semiconductors

Energy Technology Data Exchange (ETDEWEB)

Lukyanov, Alexander

2011-03-15

Organic semiconductors with the unique combination of electronic and mechanical properties may offer cost-effective ways of realizing many electronic applications, e. g. large-area flexible displays, printed integrated circuits and plastic solar cells. In order to facilitate the rational compound design of organic semiconductors, it is essential to understand relevant physical properties e. g. charge transport. This, however, is not straightforward, since physical models operating on different time and length scales need to be combined. First, the material morphology has to be known at an atomistic scale. For this atomistic molecular dynamics simulations can be employed, provided that an atomistic force field is available. Otherwise it has to be developed based on the existing force fields and first principle calculations. However, atomistic simulations are typically limited to the nanometer length- and nanosecond time-scales. To overcome these limitations, systematic coarse-graining techniques can be used. In the first part of this thesis, it is demonstrated how a force field can be parameterized for a typical organic molecule. Then different coarse-graining approaches are introduced together with the analysis of their advantages and problems. When atomistic morphology is available, charge transport can be studied by combining the high-temperature Marcus theory with kinetic Monte Carlo simulations. The approach is applied to the hole transport in amorphous films of tris(8- hydroxyquinoline)aluminium (Alq{sub 3}). First the influence of the force field parameters and the corresponding morphological changes on charge transport is studied. It is shown that the energetic disorder plays an important role for amorphous Alq{sub 3}, defining charge carrier dynamics. Its spatial correlations govern the Poole-Frenkel behavior of the charge carrier mobility. It is found that hole transport is dispersive for system sizes accessible to simulations, meaning that calculated

The characteristics of charged α card method and its use in uranium prospecting

International Nuclear Information System (INIS)

Hua Rongzhou; Ge Jingxia.

1985-01-01

The charged α card method is a relatively new technique for uranium prospecting, which is based on the detection of radon. This paper discusses the fundamental theory of charged α card and the field orientation survey. The relation between radon in the detection cup and α activity on the α card has been calculated. The results of field and laboratory experiments are provided. It is concluded that the method described is more sensitive and more effective for uranium prospecting than the α card method

Computer simulation of charged fusion-product trajectories and detection efficiency expected for future experiments within the COMPASS tokamak

International Nuclear Information System (INIS)

Kwiatkowski, Roch; Malinowski, Karol; Sadowski, Marek J

2014-01-01

This paper presents results of computer simulations of charged particle motions and detection efficiencies for an ion-pinhole camera of a new diagnostic system to be used in future COMPASS tokamak experiments. A probe equipped with a nuclear track detector can deliver information about charged products of fusion reactions. The calculations were performed with a so-called Gourdon code, based on a single-particle model and toroidal symmetry. There were computed trajectories of fast ions (> 500 keV) in medium-dense plasma (n e  < 10 14  cm −3 ) and an expected detection efficiency (a ratio of the number of detected particles to that of particles emitted from plasma). The simulations showed that charged fusion products can reach the new diagnostic probe, and the expected detection efficiency can reach 2 × 10 −8 . Based on such calculations, one can determine the optimal position and orientation of the probe. The obtained results are of importance for the interpretation of fusion-product images to be recorded in future COMPASS experiments. (paper)

Calibration of the photometric method of heavy ion charge measurements in emulsion using a CCD camera

International Nuclear Information System (INIS)

Kudzia, D.; Wilczynska, B.; Wilczynski, H.

2002-01-01

A previously developed method of heavy ion charge measurements in emulsion has been significantly improved. The charge measurements are based on analysis of photometric profiles of the particle tracks in emulsion. These profiles are obtained using a CCD camera mounted on an optical microscope. So far, the manual charge determination by delta ray counting had to be used for calibration of the photometric method. In this paper a complete procedure for calibration of the photometric method is shown, without resorting to the manual method

Application of Uintah-MPM to shaped charge jet penetration of aluminum

International Nuclear Information System (INIS)

Burghardt, J; Leavy, B; Brannon, R; Guilkey, J; Xue, Z

2010-01-01

The capability of the generalized interpolation material point (GIMP) method in simulation of penetration events is investigated. A series of experiments was performed wherein a shaped charge jet penetrates into a stack of aluminum plates. Electronic switches were used to measure the penetration time history. Flash x-ray techniques were used to measure the density, length, radius and velocity of the shaped charge jet. Simulations of the penetration event were performed using the Uintah MPM/GIMP code with several different models of the shaped charge jet being used. The predicted penetration time history for each jet model is compared with the experimentally observed penetration history. It was found that the characteristics of the predicted penetration were dependent on the way that the jet data are translated to a discrete description. The discrete jet descriptions were modified such that the predicted penetration histories fell very close to the range of the experimental data. In comparing the various discrete jet descriptions it was found that the cumulative kinetic energy flux curve represents an important way of characterizing the penetration characteristics of the jet. The GIMP method was found to be well suited for simulation of high rate penetration events.

Monte Carlo simulations of the distributions of intra- and extra-vesicular ions and membrane associated charges in hybrid liposomes composed of negatively charged tetraether and zwitterionic diester phospholipids

Directory of Open Access Journals (Sweden)

István P. Sugár

2017-04-01

Full Text Available Here, we model a negatively charged lipid vesicle, composed of a mixture of bipolar tetraether and diester (or diether phospholipid molecules, by a spherical shell that has zero ion permeability. We take into consideration all the charge-charge interactions between intra-vesicular ions, extra-vesicular ions, and membrane lipid associated charges. Monte Carlo simulations result in homogeneous and double-exponential ion distribution, respectively, in the intra- and extra-vesicular space. The extra-vesicular ion concentration close to the membrane surface is proportional to the total amount of the membrane charges (Nm and is independent of the partitioning of the membrane charges between the outer (Nom and inner membrane (Nim surface. This result shows that one should not disregard the effect of the charges on the inner membrane surface when calculating the ion distributions around a charged vesicle. If the partitioning of the membrane charges is not restricted (i.e., lipid flip-flop is allowed, then at different Nm, the Nom/Nim ratio remains constant and the value of Nom/Nim, as a consequence of the interaction between every charges of the model, is close to, but significantly higher than, the ratio of the outer to the inner surface area of the membrane. These results indicate that the amount and the orientation of the negatively-charged tetraether lipids in the membrane are important determinants of membrane properties in tetraether/zwitterionic diester phospholipid liposomes. Finally we compared the results of our discrete charge model and continuous models based on the solutions of the Poisson-Boltzmann equation and pointed out qualitative similarities and sometimes major quantitative differences between these two types of models.

NUMERICAL METHODS FOR THE SIMULATION OF HIGH INTENSITY HADRON SYNCHROTRONS.

Energy Technology Data Exchange (ETDEWEB)

LUCCIO, A.; D' IMPERIO, N.; MALITSKY, N.

2005-09-12

Numerical algorithms for PIC simulation of beam dynamics in a high intensity synchrotron on a parallel computer are presented. We introduce numerical solvers of the Laplace-Poisson equation in the presence of walls, and algorithms to compute tunes and twiss functions in the presence of space charge forces. The working code for the simulation here presented is SIMBAD, that can be run as stand alone or as part of the UAL (Unified Accelerator Libraries) package.

Theory and simulation of charge transport in disordered organic semiconductors

NARCIS (Netherlands)

Bobbert, P.A.; Kondov, I.; Sutman, G.

2013-01-01

Charge transport in polymeric or small-molecule organic semiconductors used in organic light-emitting diodes (OLEDs) occurs by hopping of charges between sites at which the charges are localized. The energetic disorder in these semiconductors has a profound influence on the charge transport: charges

Measurement of triboelectric charging of moving micro particles by means of an inductive cylindrical probe

International Nuclear Information System (INIS)

Nesterov, A; Loeffler, F; Koenig, K; Trunk, U; Leibe, K; Felgenhauer, T; Bischoff, F R; Breitling, F; Lindenstruth, V; Stadler, V; Hausmann, M

2007-01-01

We present a method based on induced currents in a cylindrical probe which allows analysis of the micro-particle charging processes in an aerosol. The micro particles were triboelectrically charged by passing through a dielectric tube coaxially mounted into the probe. The cylindrical probe enabled the quantification of particle charging without prior calibration of the probe. An analytic model was developed for the description of the measured induced currents and implemented into a computer simulation program. The combination of model simulations and an appropriate experimental setup revealed comprehensive data for the determination of the particles' electric charge against time of flight through the tube. In methodological proof of principle experiments, the formations of particle clouds with charges of different signs were observed using magnetite micro particles

Experiments on Dust Grain Charging

Science.gov (United States)

Abbas, M. N.; Craven, P. D.; Spann, J. F.; Tankosic, D.; LeClair, A.; West, E. A.

2004-01-01

Dust particles in various astrophysical environments are charged by a variety of mechanisms generally involving collisional processes with other charged particles and photoelectric emission with UV radiation from nearby sources. The sign and the magnitude of the particle charge are determined by the competition between the charging processes by UV radiation and collisions with charged particles. Knowledge of the particle charges and equilibrium potentials is important for understanding of a number of physical processes. The charge of a dust grain is thus a fundamental parameter that influences the physics of dusty plasmas, processes in the interplanetary medium and interstellar medium, interstellar dust clouds, planetary rings, cometary and outer atmospheres of planets etc. In this paper we present some results of experiments on charging of dust grains carried out on a laboratory facility capable levitating micron size dust grains in an electrodynamic balance in simulated space environments. The charging/discharging experiments were carried out by exposing the dust grains to energetic electron beams and UV radiation. Photoelectric efficiencies and yields of micron size dust grains of SiO2, and lunar simulates obtained from NASA-JSC will be presented.

A Monte Carlo modeling on charging effect for structures with arbitrary geometries

Science.gov (United States)

Li, C.; Mao, S. F.; Zou, Y. B.; Li, Yong Gang; Zhang, P.; Li, H. M.; Ding, Z. J.

2018-04-01

Insulating materials usually suffer charging effects when irradiated by charged particles. In this paper, we present a Monte Carlo study on the charging effect caused by electron beam irradiation for sample structures with any complex geometry. When transporting in an insulating solid, electrons encounter elastic and inelastic scattering events; the Mott cross section and a Lorentz-type dielectric function are respectively employed to describe such scatterings. In addition, the band gap and the electron–long optical phonon interaction are taken into account. The electronic excitation in inelastic scattering causes generation of electron–hole pairs; these negative and positive charges establish an inner electric field, which in turn induces the drift of charges to be trapped by impurities, defects, vacancies etc in the solid, where the distributions of trapping sites are assumed to have uniform density. Under charging conditions, the inner electric field distorts electron trajectories, and the surface electric potential dynamically alters secondary electron emission. We present, in this work, an iterative modeling method for a self-consistent calculation of electric potential; the method has advantages in treating any structure with arbitrary complex geometry, in comparison with the image charge method—which is limited to a quite simple boundary geometry. Our modeling is based on: the combination of the finite triangle mesh method for an arbitrary geometry construction; a self-consistent method for the spatial potential calculation; and a full dynamic description for the motion of deposited charges. Example calculations have been done to simulate secondary electron yield of SiO2 for a semi-infinite solid, the charging for a heterostructure of SiO2 film grown on an Au substrate, and SEM imaging of a SiO2 line structure with rough surfaces and SiO2 nanoparticles with irregular shapes. The simulations have explored interesting interlaced charge layer distribution

Adaptive Kalman filter based state of charge estimation algorithm for lithium-ion battery

International Nuclear Information System (INIS)

Zheng Hong; Liu Xu; Wei Min

2015-01-01

In order to improve the accuracy of the battery state of charge (SOC) estimation, in this paper we take a lithium-ion battery as an example to study the adaptive Kalman filter based SOC estimation algorithm. Firstly, the second-order battery system model is introduced. Meanwhile, the temperature and charge rate are introduced into the model. Then, the temperature and the charge rate are adopted to estimate the battery SOC, with the help of the parameters of an adaptive Kalman filter based estimation algorithm model. Afterwards, it is verified by the numerical simulation that in the ideal case, the accuracy of SOC estimation can be enhanced by adding two elements, namely, the temperature and charge rate. Finally, the actual road conditions are simulated with ADVISOR, and the simulation results show that the proposed method improves the accuracy of battery SOC estimation under actual road conditions. Thus, its application scope in engineering is greatly expanded. (paper)

Improvement of highly charged ion output from an ECR source

International Nuclear Information System (INIS)

Shirkov, G.D.

1995-01-01

The physical limitations of the highly charged ion production in the ECR source is analyzed in this report. General methods to increase the output ion current and the attainable charged states of heavy ions are discussed. Some new ways to improve the output of highly charged ions from the ECR source for heavy ions are proposed. A new library of computer codes for the mathematical simulation of heavy ion production in the ECR ion source is used for numerical experiments to test these ways for improving the operation of the ECR source. (orig.)

The charge imbalance in ultracold plasmas

International Nuclear Information System (INIS)

Chen, Tianxing; Lu, Ronghua; Guo, Li; Han, Shensheng

2016-01-01

Ultracold plasmas are regarded as quasineutral but not strictly neutral. The results of charge imbalance in the expansion of ultracold plasmas are reported. The calculations are performed by a full molecular-dynamics simulation. The details of the electron velocity distributions are calculated without the assumption of electron global thermal equilibrium and Boltzmann distribution. Spontaneous evolutions of the charge imbalance from the initial states with perfect neutrality are given in the simulations. The expansion of outer plasma slows down with the charge imbalance. The influences of plasma size and parameters on the charge imbalance are discussed. The radial profiles of electron temperature are given for the first time, and the self-similar expansion can still occur even if there is no global thermal equilibrium. The electron disorder induced heating is also found in the simulation.

The charge imbalance in ultracold plasmas

Energy Technology Data Exchange (ETDEWEB)

Chen, Tianxing; Lu, Ronghua, E-mail: lurh@siom.ac.cn; Guo, Li; Han, Shensheng [Key Laboratory for Quantum Optics and Center for Cold Atom Physics, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800 (China)

2016-09-15

Ultracold plasmas are regarded as quasineutral but not strictly neutral. The results of charge imbalance in the expansion of ultracold plasmas are reported. The calculations are performed by a full molecular-dynamics simulation. The details of the electron velocity distributions are calculated without the assumption of electron global thermal equilibrium and Boltzmann distribution. Spontaneous evolutions of the charge imbalance from the initial states with perfect neutrality are given in the simulations. The expansion of outer plasma slows down with the charge imbalance. The influences of plasma size and parameters on the charge imbalance are discussed. The radial profiles of electron temperature are given for the first time, and the self-similar expansion can still occur even if there is no global thermal equilibrium. The electron disorder induced heating is also found in the simulation.

Intrinsic space charge resonances and the space charge limit

International Nuclear Information System (INIS)

Parzen, G.

1990-01-01

A study has been done of the dependence of the space charge limit on the choice of ν-values using a simulation program. This study finds a strong dependence of the space charge limit on the location of the ν-values relative to the intrinsic space charge resonances, which are driven by the space charge forces due to the beam itself. Four accelerators were studied. For some of these accelerators the study suggest that the space charge limit can be increased by about a factor of 2 proper choice of the ν-values. The lower order 1/2 and 1/4 intrinsic resonances appear to be the important resonances. There is some evidence for effects due to the 1/6 and 1/8 intrinsic resonances, particularly for larger synchrotrons. 5 figs

New Perspectives on the Charging Mechanisms of Supercapacitors

Science.gov (United States)

2016-01-01

Supercapacitors (or electric double-layer capacitors) are high-power energy storage devices that store charge at the interface between porous carbon electrodes and an electrolyte solution. These devices are already employed in heavy electric vehicles and electronic devices, and can complement batteries in a more sustainable future. Their widespread application could be facilitated by the development of devices that can store more energy, without compromising their fast charging and discharging times. In situ characterization methods and computational modeling techniques have recently been developed to study the molecular mechanisms of charge storage, with the hope that better devices can be rationally designed. In this Perspective, we bring together recent findings from a range of experimental and computational studies to give a detailed picture of the charging mechanisms of supercapacitors. Nuclear magnetic resonance experiments and molecular dynamics simulations have revealed that the electrode pores contain a considerable number of ions in the absence of an applied charging potential. Experiments and computer simulations have shown that different charging mechanisms can then operate when a potential is applied, going beyond the traditional view of charging by counter-ion adsorption. It is shown that charging almost always involves ion exchange (swapping of co-ions for counter-ions), and rarely occurs by counter-ion adsorption alone. We introduce a charging mechanism parameter that quantifies the mechanism and allows comparisons between different systems. The mechanism is found to depend strongly on the polarization of the electrode, and the choice of the electrolyte and electrode materials. In light of these advances we identify new directions for supercapacitor research. Further experimental and computational work is needed to explain the factors that control supercapacitor charging mechanisms, and to establish the links between mechanisms and performance

Electric potential calculation in molecular simulation of electric double layer capacitors

International Nuclear Information System (INIS)

Wang, Zhenxing; Laird, Brian B; Olmsted, David L; Asta, Mark

2016-01-01

For the molecular simulation of electric double layer capacitors (EDLCs), a number of methods have been proposed and implemented to determine the one-dimensional electric potential profile between the two electrodes at a fixed potential difference. In this work, we compare several of these methods for a model LiClO 4 -acetonitrile/graphite EDLC simulated using both the traditional fixed-charged method (FCM), in which a fixed charge is assigned a priori to the electrode atoms, or the recently developed constant potential method (CPM) (2007 J. Chem. Phys . 126 084704), where the electrode charges are allowed to fluctuate to keep the potential fixed. Based on an analysis of the full three-dimensional electric potential field, we suggest a method for determining the averaged one-dimensional electric potential profile that can be applied to both the FCM and CPM simulations. Compared to traditional methods based on numerically solving the one-dimensional Poisson’s equation, this method yields better accuracy and no supplemental assumptions. (paper)

Colloid Titration--A Rapid Method for the Determination of Charged Colloid.

Science.gov (United States)

Ueno, Keihei; Kina, Ken'yu

1985-01-01

"Colloid titration" is a volumetric method for determining charged polyelectrolytes in aqueous solutions. The principle of colloid titration, reagents used in the procedure, methods of endpoint detection, preparation of reagent solutions, general procedure used, results obtained, and pH profile of colloid titration are considered. (JN)

EV Charging Facilities and Their Application in LV Feeders with Photovoltaics

DEFF Research Database (Denmark)

Marra, Francesco; Yang, Guangya; Træholt, Chresten

2013-01-01

Low-voltage (LV) grid feeders with high penetration of photovoltaics (PVs) are often affected by voltage magnitude problems. To solve such issues, previous research has shown that reactive power methods, active power curtailment and grid reinforcement can be used for voltage support, yet showing...... several limits. We introduce the use of electric vehicle (EV) public charging stations with energy storage system (ESS) as a solution for voltage regulation in LV feeders with PV. A novel method is proposed to determine the ESS charging load required for voltage regulation and compare the results...... for the different locations in the feeder. With time-series simulations, we quantify the energy size required for a station ESS. A Belgian LV residential grid, modeled using real PV generation and load profiles, is used as case study. The method and simulation results show the effectiveness of using public EV...

Enhanced coulomb counting method for estimating state-of-charge and state-of-health of lithium-ion batteries

International Nuclear Information System (INIS)

Ng, Kong Soon; Moo, Chin-Sien; Chen, Yi-Ping; Hsieh, Yao-Ching

2009-01-01

The coulomb counting method is expedient for state-of-charge (SOC) estimation of lithium-ion batteries with high charging and discharging efficiencies. The charging and discharging characteristics are investigated and reveal that the coulomb counting method is convenient and accurate for estimating the SOC of lithium-ion batteries. A smart estimation method based on coulomb counting is proposed to improve the estimation accuracy. The corrections are made by considering the charging and operating efficiencies. Furthermore, the state-of-health (SOH) is evaluated by the maximum releasable capacity. Through the experiments that emulate practical operations, the SOC estimation method is verified to demonstrate the effectiveness and accuracy.

Parallel Atomistic Simulations

Energy Technology Data Exchange (ETDEWEB)

HEFFELFINGER,GRANT S.

2000-01-18

Algorithms developed to enable the use of atomistic molecular simulation methods with parallel computers are reviewed. Methods appropriate for bonded as well as non-bonded (and charged) interactions are included. While strategies for obtaining parallel molecular simulations have been developed for the full variety of atomistic simulation methods, molecular dynamics and Monte Carlo have received the most attention. Three main types of parallel molecular dynamics simulations have been developed, the replicated data decomposition, the spatial decomposition, and the force decomposition. For Monte Carlo simulations, parallel algorithms have been developed which can be divided into two categories, those which require a modified Markov chain and those which do not. Parallel algorithms developed for other simulation methods such as Gibbs ensemble Monte Carlo, grand canonical molecular dynamics, and Monte Carlo methods for protein structure determination are also reviewed and issues such as how to measure parallel efficiency, especially in the case of parallel Monte Carlo algorithms with modified Markov chains are discussed.

Simulation studies of gas and plasma-based charge strippers

Energy Technology Data Exchange (ETDEWEB)

Haas, Oliver Sebastian [Institut fuer Theorie Elektromagnetischer Felder, Technische Univ. Darmstadt (Germany); Boine-Frankenheim, Oliver [Institut fuer Theorie Elektromagnetischer Felder, Technische Univ. Darmstadt (Germany); GSI Helmholtz Centre for Heavy Ion Research, Darmstadt (Germany)

2016-07-01

Charge stripping of heavy ion beams at high intensities is a major challenge in current and future facilities with high intensity heavy ion beams. Conventional stripping techniques are limited in their applicability, e.g. solid carbon foils suffer from short lifetimes at high intensities and gas strippers usually achieve only low charge states. One possible alternative is the use of a plasma as a stripping medium. The presented work focuses on theoretical studies of the interaction of an heavy ion beam with a plasma and accompanying effects in possible charge strippers. The main interest in the presented studies is the final charge state distribution of the ion beam. Different models for solving the corresponding rate equations were developed, taking into account ionization, recombination, energy loss and straggling processes. Sophisticated models, e.g. for ionization cross sections, as well as limits and applicability of simplified models are discussed. Quantitative results are presented in form an overview of the charge state distributions of different - conventional and novel - charge stripping media. Furthermore comparisons are done with charge state distributions of available experimental data. Typical practically relevant target conditions are discussed as well as deterioration of beam quality.

Charge reconstruction in large-area photomultipliers

Science.gov (United States)

Grassi, M.; Montuschi, M.; Baldoncini, M.; Mantovani, F.; Ricci, B.; Andronico, G.; Antonelli, V.; Bellato, M.; Bernieri, E.; Brigatti, A.; Brugnera, R.; Budano, A.; Buscemi, M.; Bussino, S.; Caruso, R.; Chiesa, D.; Corti, D.; Dal Corso, F.; Ding, X. F.; Dusini, S.; Fabbri, A.; Fiorentini, G.; Ford, R.; Formozov, A.; Galet, G.; Garfagnini, A.; Giammarchi, M.; Giaz, A.; Insolia, A.; Isocrate, R.; Lippi, I.; Longhitano, F.; Lo Presti, D.; Lombardi, P.; Marini, F.; Mari, S. M.; Martellini, C.; Meroni, E.; Mezzetto, M.; Miramonti, L.; Monforte, S.; Nastasi, M.; Ortica, F.; Paoloni, A.; Parmeggiano, S.; Pedretti, D.; Pelliccia, N.; Pompilio, R.; Previtali, E.; Ranucci, G.; Re, A. C.; Romani, A.; Saggese, P.; Salamanna, G.; Sawy, F. H.; Settanta, G.; Sisti, M.; Sirignano, C.; Spinetti, M.; Stanco, L.; Strati, V.; Verde, G.; Votano, L.

2018-02-01

Large-area PhotoMultiplier Tubes (PMT) allow to efficiently instrument Liquid Scintillator (LS) neutrino detectors, where large target masses are pivotal to compensate for neutrinos' extremely elusive nature. Depending on the detector light yield, several scintillation photons stemming from the same neutrino interaction are likely to hit a single PMT in a few tens/hundreds of nanoseconds, resulting in several photoelectrons (PEs) to pile-up at the PMT anode. In such scenario, the signal generated by each PE is entangled to the others, and an accurate PMT charge reconstruction becomes challenging. This manuscript describes an experimental method able to address the PMT charge reconstruction in the case of large PE pile-up, providing an unbiased charge estimator at the permille level up to 15 detected PEs. The method is based on a signal filtering technique (Wiener filter) which suppresses the noise due to both PMT and readout electronics, and on a Fourier-based deconvolution able to minimize the influence of signal distortions—such as an overshoot. The analysis of simulated PMT waveforms shows that the slope of a linear regression modeling the relation between reconstructed and true charge values improves from 0.769 ± 0.001 (without deconvolution) to 0.989 ± 0.001 (with deconvolution), where unitary slope implies perfect reconstruction. A C++ implementation of the charge reconstruction algorithm is available online at [1].

An EV Charging Scheduling Mechanism Based on Price Negotiation

Directory of Open Access Journals (Sweden)

Baocheng Wang

2018-05-01

Full Text Available Scheduling EV user’s charging behavior based on charging price and applying renewable energy resources are the effective methods to release the load pressure of power grids brought about by the large-scale popularity of electric vehicles (EVs. This paper presents a novel approach for EV charging scheduling based on price negotiation. Firstly, the EV charging system framework based on price negotiation and renewable energy resources is discussed. Secondly, the price negotiation model is presented, including the initial price models and the conditions of transactions. Finally, an EV charging scheduling mechanism based on price negotiation (CSM-PN, including the price adjustment strategies of both the operator and EV users is proposed to seek a final transaction during multi-round price negotiation. Simulation results show that this novel approach can effectively improve the charging station operator’s income, reduce the EV users’ costs, and balance the load of the power grid while improving the efficiency of the EV charging system.

Electrostatic Power Generation from Negatively Charged, Simulated Lunar Regolith

Science.gov (United States)

Choi, Sang H.; King, Glen C.; Kim, Hyun-Jung; Park, Yeonjoon

2010-01-01

Research was conducted to develop an electrostatic power generator for future lunar missions that facilitate the utilization of lunar resources. The lunar surface is known to be negatively charged from the constant bombardment of electrons and protons from the solar wind. The resulting negative electrostatic charge on the dust particles, in the lunar vacuum, causes them to repel each other minimizing the potential. The result is a layer of suspended dust about one meter above the lunar surface. This phenomenon was observed by both Clementine and Surveyor spacecrafts. During the Apollo 17 lunar landing, the charged dust was a major hindrance, as it was attracted to the astronauts' spacesuits, equipment, and the lunar buggies. The dust accumulated on the spacesuits caused reduced visibility for the astronauts, and was unavoidably transported inside the spacecraft where it caused breathing irritation [1]. In the lunar vacuum, the maximum charge on the particles can be extremely high. An article in the journal "Nature", titled "Moon too static for astronauts?" (Feb 2, 2007) estimates that the lunar surface is charged with up to several thousand volts [2]. The electrostatic power generator was devised to alleviate the hazardous effects of negatively charged lunar soil by neutralizing the charged particles through capacitive coupling and thereby simultaneously harnessing power through electric charging [3]. The amount of power generated or collected is dependent on the areal coverage of the device and hovering speed over the lunar soil surface. A thin-film array of capacitors can be continuously charged and sequentially discharged using a time-differentiated trigger discharge process to produce a pulse train of discharge for DC mode output. By controlling the pulse interval, the DC mode power can be modulated for powering devices and equipment. In conjunction with a power storage system, the electrostatic power generator can be a power source for a lunar rover or other

Charging system and method for multicell storage batteries

Science.gov (United States)

Cox, Jay A.

1978-01-01

A battery-charging system includes a first charging circuit connected in series with a plurality of battery cells for controlled current charging. A second charging circuit applies a controlled voltage across each individual cell for equalization of the cells to the fully charged condition. This controlled voltage is determined at a level above the fully charged open-circuit voltage but at a sufficiently low level to prevent corrosion of cell components by electrochemical reaction. In this second circuit for cell equalization, a transformer primary receives closely regulated, square-wave voltage which is coupled to a plurality of equal secondary coil windings. Each secondary winding is connected in parallel to each cell of a series-connected pair of cells through half-wave rectifiers and a shared, intermediate conductor.

Particle-in-cell/accelerator code for space-charge dominated beam simulation

Energy Technology Data Exchange (ETDEWEB)

2012-05-08

Warp is a multidimensional discrete-particle beam simulation program designed to be applicable where the beam space-charge is non-negligible or dominant. It is being developed in a collaboration among LLNL, LBNL and the University of Maryland. It was originally designed and optimized for heave ion fusion accelerator physics studies, but has received use in a broader range of applications, including for example laser wakefield accelerators, e-cloud studies in high enery accelerators, particle traps and other areas. At present it incorporates 3-D, axisymmetric (r,z) planar (x-z) and transverse slice (x,y) descriptions, with both electrostatic and electro-magnetic fields, and a beam envelope model. The code is guilt atop the Python interpreter language.

Modeling and simulation of single-event effect in CMOS circuit

International Nuclear Information System (INIS)

Yue Suge; Zhang Xiaolin; Zhao Yuanfu; Liu Lin; Wang Hanning

2015-01-01

This paper reviews the status of research in modeling and simulation of single-event effects (SEE) in digital devices and integrated circuits. After introducing a brief historical overview of SEE simulation, different level simulation approaches of SEE are detailed, including material-level physical simulation where two primary methods by which ionizing radiation releases charge in a semiconductor device (direct ionization and indirect ionization) are introduced, device-level simulation where the main emerging physical phenomena affecting nanometer devices (bipolar transistor effect, charge sharing effect) and the methods envisaged for taking them into account are focused on, and circuit-level simulation where the methods for predicting single-event response about the production and propagation of single-event transients (SETs) in sequential and combinatorial logic are detailed, as well as the soft error rate trends with scaling are particularly addressed. (review)

Three dimensional simulations of space charge dominated heavy ion beams with applications to inertial fusion energy

International Nuclear Information System (INIS)

Grote, D.P.

1994-01-01

Heavy ion fusion requires injection, transport and acceleration of high current beams. Detailed simulation of such beams requires fully self-consistent space charge fields and three dimensions. WARP3D, developed for this purpose, is a particle-in-cell plasma simulation code optimized to work within the framework of an accelerator's lattice of accelerating, focusing, and bending elements. The code has been used to study several test problems and for simulations and design of experiments. Two applications are drift compression experiments on the MBE-4 facility at LBL and design of the electrostatic quadrupole injector for the proposed ILSE facility. With aggressive drift compression on MBE-4, anomalous emittance growth was observed. Simulations carried out to examine possible causes showed that essentially all the emittance growth is result of external forces on the beam and not of internal beam space-charge fields. Dominant external forces are the dodecapole component of focusing fields, the image forces on the surrounding pipe and conductors, and the octopole fields that result from the structure of the quadrupole focusing elements. Goal of the design of the electrostatic quadrupole injector is to produce a beam of as low emittance as possible. The simulations show that the dominant effects that increase the emittance are the nonlinear octopole fields and the energy effect (fields in the axial direction that are off-axis). Injectors were designed that minimized the beam envelope in order to reduce the effect of the nonlinear fields. Alterations to the quadrupole structure that reduce the nonlinear fields further were examined. Comparisons were done with a scaled experiment resulted in very good agreement

Hybrid Methods for Muon Accelerator Simulations with Ionization Cooling

Energy Technology Data Exchange (ETDEWEB)

Kunz, Josiah [Anderson U.; Snopok, Pavel [Fermilab; Berz, Martin [Michigan State U.; Makino, Kyoko [Michigan State U.

2018-03-28

Muon ionization cooling involves passing particles through solid or liquid absorbers. Careful simulations are required to design muon cooling channels. New features have been developed for inclusion in the transfer map code COSY Infinity to follow the distribution of charged particles through matter. To study the passage of muons through material, the transfer map approach alone is not sufficient. The interplay of beam optics and atomic processes must be studied by a hybrid transfer map--Monte-Carlo approach in which transfer map methods describe the deterministic behavior of the particles, and Monte-Carlo methods are used to provide corrections accounting for the stochastic nature of scattering and straggling of particles. The advantage of the new approach is that the vast majority of the dynamics are represented by fast application of the high-order transfer map of an entire element and accumulated stochastic effects. The gains in speed are expected to simplify the optimization of cooling channels which is usually computationally demanding. Progress on the development of the required algorithms and their application to modeling muon ionization cooling channels is reported.

Observation and simulation of space-charge effects in a radio-frequency photoinjector using a transverse multibeamlet distribution

Directory of Open Access Journals (Sweden)

M. Rihaoui

2009-12-01

Full Text Available We report on an experimental study of space-charge effects in a radio-frequency (rf photoinjector. A 5 MeV electron bunch, consisting of a number of beamlets separated transversely, was generated in an rf photocathode gun and propagated in the succeeding drift space. The collective interaction of these beamlets was studied for different experimental conditions. The experiment allowed the exploration of space-charge effects and its comparison with 3D particle-in-cell simulations. Our observations also suggest the possible use of a multibeam configuration to tailor the transverse distribution of an electron beam.

The charging security study of electric vehicle charging spot based on automatic testing platform

Science.gov (United States)

Li, Yulan; Yang, Zhangli; Zhu, Bin; Ran, Shengyi

2018-03-01

With the increasing of charging spots, the testing of charging security and interoperability becomes more and more urgent and important. In this paper, an interface simulator for ac charging test is designed, the automatic testing platform for electric vehicle charging spots is set up and used to test and analyze the abnormal state during the charging process. On the platform, the charging security and interoperability of ac charging spots and IC-CPD can be checked efficiently, the test report can be generated automatically with No artificial reading error. From the test results, the main reason why the charging spot is not qualified is that the power supply cannot be cut off in the prescribed time when the charging anomaly occurs.

The Robin Hood method - A novel numerical method for electrostatic problems based on a non-local charge transfer

International Nuclear Information System (INIS)

Lazic, Predrag; Stefancic, Hrvoje; Abraham, Hrvoje

2006-01-01

We introduce a novel numerical method, named the Robin Hood method, of solving electrostatic problems. The approach of the method is closest to the boundary element methods, although significant conceptual differences exist with respect to this class of methods. The method achieves equipotentiality of conducting surfaces by iterative non-local charge transfer. For each of the conducting surfaces, non-local charge transfers are performed between surface elements, which differ the most from the targeted equipotentiality of the surface. The method is tested against analytical solutions and its wide range of application is demonstrated. The method has appealing technical characteristics. For the problem with N surface elements, the computational complexity of the method essentially scales with N α , where α < 2, the required computer memory scales with N, while the error of the potential decreases exponentially with the number of iterations for many orders of magnitude of the error, without the presence of the Critical Slowing Down. The Robin Hood method could prove useful in other classical or even quantum problems. Some future development ideas for possible applications outside electrostatics are addressed

Nonlinear δf Simulation Studies of Intense Charged Particle Beams with Large Temperature Anisotropy

International Nuclear Information System (INIS)

Startsev, Edward A.; Davidson, Ronald C.; Qin, Hong

2002-01-01

In this paper, a 3-D nonlinear perturbative particle simulation code (BEST) [H. Qin, R.C. Davidson and W.W. Lee, Physical Review Special Topics on Accelerators and Beams 3 (2000) 084401] is used to systematically study the stability properties of intense nonneutral charged particle beams with large temperature anisotropy (T perpendicularb >> T parallelb ). The most unstable modes are identified, and their eigenfrequencies, radial mode structure, and nonlinear dynamics are determined for axisymmetric perturbations with ∂/∂θ = 0

Reducing charging effects in scanning electron microscope images by Rayleigh contrast stretching method (RCS).

Science.gov (United States)

Wan Ismail, W Z; Sim, K S; Tso, C P; Ting, H Y

2011-01-01

To reduce undesirable charging effects in scanning electron microscope images, Rayleigh contrast stretching is developed and employed. First, re-scaling is performed on the input image histograms with Rayleigh algorithm. Then, contrast stretching or contrast adjustment is implemented to improve the images while reducing the contrast charging artifacts. This technique has been compared to some existing histogram equalization (HE) extension techniques: recursive sub-image HE, contrast stretching dynamic HE, multipeak HE and recursive mean separate HE. Other post processing methods, such as wavelet approach, spatial filtering, and exponential contrast stretching, are compared as well. Overall, the proposed method produces better image compensation in reducing charging artifacts. Copyright © 2011 Wiley Periodicals, Inc.

Complexation behavior of oppositely charged polyelectrolytes: Effect of charge distribution

International Nuclear Information System (INIS)

Zhao, Mingtian; Li, Baohui; Zhou, Jihan; Su, Cuicui; Niu, Lin; Liang, Dehai

2015-01-01

Complexation behavior of oppositely charged polyelectrolytes in a solution is investigated using a combination of computer simulations and experiments, focusing on the influence of polyelectrolyte charge distributions along the chains on the structure of the polyelectrolyte complexes. The simulations are performed using Monte Carlo with the replica-exchange algorithm for three model systems where each system is composed of a mixture of two types of oppositely charged model polyelectrolyte chains (EGEG) 5 /(KGKG) 5 , (EEGG) 5 /(KKGG) 5 , and (EEGG) 5 /(KGKG) 5 , in a solution including explicit solvent molecules. Among the three model systems, only the charge distributions along the chains are not identical. Thermodynamic quantities are calculated as a function of temperature (or ionic strength), and the microscopic structures of complexes are examined. It is found that the three systems have different transition temperatures, and form complexes with different sizes, structures, and densities at a given temperature. Complex microscopic structures with an alternating arrangement of one monolayer of E/K monomers and one monolayer of G monomers, with one bilayer of E and K monomers and one bilayer of G monomers, and with a mixture of monolayer and bilayer of E/K monomers in a box shape and a trilayer of G monomers inside the box are obtained for the three mixture systems, respectively. The experiments are carried out for three systems where each is composed of a mixture of two types of oppositely charged peptide chains. Each peptide chain is composed of Lysine (K) and glycine (G) or glutamate (E) and G, in solution, and the chain length and amino acid sequences, and hence the charge distribution, are precisely controlled, and all of them are identical with those for the corresponding model chain. The complexation behavior and complex structures are characterized through laser light scattering and atomic force microscopy measurements. The order of the apparent weight

Interactions Between Charged Macroions Mediated by Molecules with Rod-like Charged Structures

Directory of Open Access Journals (Sweden)

Bohinc, K.

2014-03-01

Full Text Available A short review of recent theoretical advances in studies of the interaction between highly charged systems embedded in a solution of rod-like molecules is presented. The system is theoretically described by the functional density theory, where the correlations within the rod-like molecules are accounted for. We show that for sufficiently long molecules and large surface charge densities, an attractive force between like-charged surfaces arises due to the spatially distributed charges within the molecules. The added salt has an influence on the condition for the attractive force between like-charged surfaces. The theoretical results are compared with Monte Carlo simulations. Many phenomena motivate the study of the interaction between like-charged surfaces (DNA condensation, virus aggregation, yeast flocculation, cohesion of cement paste.

Detector Simulation: Data Treatment and Analysis Methods

CERN Document Server

Apostolakis, J

2011-01-01

Detector Simulation in 'Data Treatment and Analysis Methods', part of 'Landolt-Börnstein - Group I Elementary Particles, Nuclei and Atoms: Numerical Data and Functional Relationships in Science and Technology, Volume 21B1: Detectors for Particles and Radiation. Part 1: Principles and Methods'. This document is part of Part 1 'Principles and Methods' of Subvolume B 'Detectors for Particles and Radiation' of Volume 21 'Elementary Particles' of Landolt-Börnstein - Group I 'Elementary Particles, Nuclei and Atoms'. It contains the Section '4.1 Detector Simulation' of Chapter '4 Data Treatment and Analysis Methods' with the content: 4.1 Detector Simulation 4.1.1 Overview of simulation 4.1.1.1 Uses of detector simulation 4.1.2 Stages and types of simulation 4.1.2.1 Tools for event generation and detector simulation 4.1.2.2 Level of simulation and computation time 4.1.2.3 Radiation effects and background studies 4.1.3 Components of detector simulation 4.1.3.1 Geometry modeling 4.1.3.2 External fields 4.1.3.3 Intro...

Towards high charge carrier mobilities by rational design of organic semiconductors

Energy Technology Data Exchange (ETDEWEB)

Andrienko, Denis; Ruehle, Victor; Baumeier, Bjoern; Vehoff, Thorsten; Lukyanov, Alexander; Kremer, Kurt [Max Planck Institute for Polymer Research, Mainz (Germany); Marcon, Valentina [Technische Universitaet Darmstadt (Germany); Kirkpatrick, James; Nelson, Jenny [Imperial College London (United Kingdom); Lennartz, Christian [BASF AG, Ludwigshafen (Germany)

2010-07-01

The role of material morphology on charge carrier mobility in partially disordered organic semiconductors is discussed for several classes of materials: derivatives of hexabenzocoronenens, perylenediimides, triangularly-shaped polyaromatic hydrocarbons, and Alq{sub 3}. Simulations are performed using a package developed by Imperial College, London and Max Planck Institute for Polymer Research, Mainz (votca.org). This package combines several techniques into one scheme: quantum chemical methods for the calculation of molecular electronic structures and reorganization energies; molecular dynamics and systematic coarse-graining approaches for simulation of self-assembly and relative positions and orientations of molecules on large scales; kinetic Monte Carlo and master equation for studies of charge transport.

Charged dopants in neutral supercells through substitutional donor (acceptor): nitrogen donor charging of the nitrogen-vacancy center in diamond

Science.gov (United States)

Löfgren, Robin; Pawar, Ravinder; Öberg, Sven; Larsson, J. Andreas

2018-02-01

Charged defects are traditionally computed by adding (subtracting) electrons for negative (positive) impurities. When using periodic boundary conditions this results in artificially charged supercells that also require a compensating background charge of the opposite sign, which makes slab supercells problematic because of an arbitrary dependence on the vacuum thickness. In this work, we test the method of using neutral supercells through the use of a substitutional electron donor (acceptor) to describe charged systems. We use density functional theory (DFT) to compare the effects of charging the well-studied NV-center in diamond by a substitutional donor nitrogen. We investigate the influence of the donor-N on the NV-center properties as a function of the distance between them, and find that they converge toward those obtained when adding an electron. We analyze the spin density and conclude that the donor-N has a zero magnetic moment, and thus, will not be seen in electron spin resonance. We validate our DFT energies through comparison to GW simulations. Charging the NV-center with a substitutional donor-N enables accurate calculations of slabs, without the ambiguity of using charged supercells. Implantation of donor-N atoms opens up the possibility to engineer NV-centers with the desired charge state for future ICT and sensor applications.

Microscopic dynamics of charge separation at the aqueous electrochemical interface

OpenAIRE

Kattirtzi, John A.; Limmer, David T.; Willard, Adam P.

2017-01-01

We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water-metal interface. We have considered this process using canonical examples of two different classes of ions: a simple alkali-halide pair, Na$^+$I$^-$, or classical ions, and the products of water autoionization, H$_3$O$^+$OH$^-$, or water ions. We find that for both ion classes, the microscopic mechanism of charge separation, including water...

Modeling track access charge to enhance railway industry performance

Science.gov (United States)

Berawi, Mohammed Ali; Miraj, Perdana; Berawi, Abdur Rohim Boy; Susantono, Bambang; Leviakangas, Pekka; Radiansyah, Hendra

2017-11-01

Indonesia attempts to improve nation's competitiveness by increasing the quality and the availability of railway network. However, the infrastructure improperly managed by the operator in terms of the technical issue. One of the reasons for this problem is an unbalanced value of infrastructure charge. In 2000's track access charge and infrastructure maintenance and operation for Indonesia railways are equal and despite current formula of the infrastructure charge, issues of transparency and accountability still in question. This research aims to produce an alternative scheme of track access charge by considering marginal cost plus markup (MC+) approach. The research combines qualitative and quantitative method through an in-depth interview and financial analysis. The result will generate alternative formula of infrastructure charge in Indonesia's railway industry. The simulation also conducted to estimate track access charge for the operator and to forecast government support in terms of subsidy. The result is expected to enhance railway industry performance and competitiveness.

Impact of Tortuosity on Charge-Carrier Transport in Organic Bulk Heterojunction Blends

Science.gov (United States)

Heiber, Michael C.; Kister, Klaus; Baumann, Andreas; Dyakonov, Vladimir; Deibel, Carsten; Nguyen, Thuc-Quyen

2017-11-01

The impact of the tortuosity of the charge-transport pathways through a bulk heterojunction film on the charge-carrier mobility is theoretically investigated using model morphologies and kinetic Monte Carlo simulations. The tortuosity descriptor provides a quantitative metric to characterize the quality of the charge-transport pathways, and model morphologies with controlled domain size and tortuosity are created using an anisotropic domain growth procedure. The tortuosity is found to be dependent on the anisotropy of the domain structure and is highly tunable. Time-of-flight charge-transport simulations on morphologies with a range of tortuosity values reveal that tortuosity can significantly reduce the magnitude of the mobility and the electric-field dependence relative to a neat material. These reductions are found to be further controlled by the energetic disorder and temperature. Most significantly, the sensitivity of the electric-field dependence to the tortuosity can explain the different experimental relationships previously reported, and exploiting this sensitivity could lead to simpler methods for characterizing and optimizing charge transport in organic solar cells.

Extraction of space-charge-dominated ion beams from an ECR ion source: Theory and simulation

Science.gov (United States)

Alton, G. D.; Bilheux, H.

2004-05-01

Extraction of high quality space-charge-dominated ion beams from plasma ion sources constitutes an optimization problem centered about finding an optimal concave plasma emission boundary that minimizes half-angular divergence for a given charge state, independent of the presence or lack thereof of a magnetic field in the extraction region. The curvature of the emission boundary acts to converge/diverge the low velocity beam during extraction. Beams of highest quality are extracted whenever the half-angular divergence, ω, is minimized. Under minimum half-angular divergence conditions, the plasma emission boundary has an optimum curvature and the perveance, P, current density, j+ext, and extraction gap, d, have optimum values for a given charge state, q. Optimum values for each of the independent variables (P, j+ext and d) are found to be in close agreement with those derived from elementary analytical theory for extraction with a simple two-electrode extraction system, independent of the presence of a magnetic field. The magnetic field only increases the emittances of beams through additional aberrational effects caused by increased angular divergences through coupling of the longitudinal to the transverse velocity components of particles as they pass though the mirror region of the electron cyclotron resonance (ECR) ion source. This article reviews the underlying theory of elementary extraction optics and presents results derived from simulation studies of extraction of space-charge dominated heavy-ion beams of varying mass, charge state, and intensity from an ECR ion source with emphasis on magnetic field induced effects.

Extraction of space-charge-dominated ion beams from an ECR ion source: Theory and simulation

International Nuclear Information System (INIS)

Alton, G.D.; Bilheux, H.

2004-01-01

Extraction of high quality space-charge-dominated ion beams from plasma ion sources constitutes an optimization problem centered about finding an optimal concave plasma emission boundary that minimizes half-angular divergence for a given charge state, independent of the presence or lack thereof of a magnetic field in the extraction region. The curvature of the emission boundary acts to converge/diverge the low velocity beam during extraction. Beams of highest quality are extracted whenever the half-angular divergence, ω, is minimized. Under minimum half-angular divergence conditions, the plasma emission boundary has an optimum curvature and the perveance, P, current density, j +ext , and extraction gap, d, have optimum values for a given charge state, q. Optimum values for each of the independent variables (P, j +ext and d) are found to be in close agreement with those derived from elementary analytical theory for extraction with a simple two-electrode extraction system, independent of the presence of a magnetic field. The magnetic field only increases the emittances of beams through additional aberrational effects caused by increased angular divergences through coupling of the longitudinal to the transverse velocity components of particles as they pass though the mirror region of the electron cyclotron resonance (ECR) ion source. This article reviews the underlying theory of elementary extraction optics and presents results derived from simulation studies of extraction of space-charge dominated heavy-ion beams of varying mass, charge state, and intensity from an ECR ion source with emphasis on magnetic field induced effects

Mitigation of the Impact of High Plug-in Electric Vehicle Penetration on Residential Distribution Grid Using Smart Charging Strategies

Directory of Open Access Journals (Sweden)

Chong Cao

2016-12-01

Full Text Available Vehicle electrification presents a great opportunity to reduce transportation greenhouse gas emissions. The greater use of plug-in electric vehicles (PEVs, however, puts stress on local distribution networks. This paper presents an optimal PEV charging control method integrated with utility demand response (DR signals to mitigate the impact of PEV charging to several aspects of a grid, including load surge, distribution accumulative voltage deviation, and transformer aging. To build a realistic PEV charging load model, the results of National Household Travel Survey (NHTS have been analyzed and a stochastic PEV charging model has been defined based on survey results. The residential distribution grid contains 120 houses and is modeled in GridLAB-D. Co-simulation is performed using Matlab and GridLAB-D to enable the optimal control algorithm in Matlab to control PEV charging loads in the residential grid modeled in GridLAB-D. Simulation results demonstrate the effectiveness of the proposed optimal charging control method in mitigating the negative impacts of PEV charging on the residential grid.

Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

Science.gov (United States)

Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

2016-10-01

Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

Space charge effects in proton linear accelerators

International Nuclear Information System (INIS)

Prome, Michel

1971-01-01

Space charge difficulties are relatively well known because of the inconveniences they cause, but the physical mechanisms by which they operate are obscure; an attempt was made to explain some of these mechanisms. The method chosen involves a numerical simulation of the beam; computer programs describing beam dynamics with space charge are presented; they are used to check results obtained elsewhere. A series of experiments was performed demonstrating that coupling phenomena produce an equalization of r. m. s. velocities in the 3 directions; new quantity (sort of hyper-emittance) is introduced: its growth between the input and output of a given linac is proportional to the beam intensity. (author) [fr

Two reactions method for accurate analysis by irradiation with charged particles

International Nuclear Information System (INIS)

Ishii, K.; Sastri, C.S.; Valladon, M.; Borderie, B.; Debrun, J.L.

1978-01-01

In the average stopping power method the formula error itself was negligible but systematic errors could be introduced by the stopping power data used in this formula. A method directly derived from the average stopping power method, but based on the use of two nuclear reactions, is described here. This method has a negligible formula error and does not require the use of any stopping power or range data: accurate and 'self-consistent' analysis by irradiation with charged particles is then possible. (Auth.)

New methods in plasma simulation

International Nuclear Information System (INIS)

Mason, R.J.

1990-01-01

The development of implicit methods of particle-in-cell (PIC) computer simulation in recent years, and their merger with older hybrid methods have created a new arsenal of simulation techniques for the treatment of complex practical problems in plasma physics. The new implicit hybrid codes are aimed at transitional problems that lie somewhere between the long time scale, high density regime associated with MHD modeling, and the short time scale, low density regime appropriate to PIC particle-in-cell techniques. This transitional regime arises in ICF coronal plasmas, in pulsed power plasma switches, in Z-pinches, and in foil implosions. Here, we outline how such a merger of implicit and hybrid methods has been carried out, specifically in the ANTHEM computer code, and demonstrate the utility of implicit hybrid simulation in applications. 25 refs., 5 figs

Charge Pricing Optimization Model for Private Charging Piles in Beijing

Directory of Open Access Journals (Sweden)

Xingping Zhang

2017-11-01

Full Text Available This paper develops a charge pricing model for private charging piles (PCPs by considering the environmental and economic effects of private electric vehicle (PEV charging energy sources and the impact of PCP charging load on the total load. This model simulates users’ responses to different combinations of peak-valley prices based on the charging power of PCPs and user charging transfer rate. According to the regional power structure, it calculates the real-time coal consumption, carbon dioxide emissions reduction, and power generation costs of PEVs on the power generation side. The empirical results demonstrate that the proposed peak-valley time-of-use charging price can not only minimize the peak-valley difference of the total load but also improve the environmental effects of PEVs and the economic income of the power system. The sensitivity analysis shows that the load-shifting effect of PCPs will be more obvious when magnifying the number of PEVs by using the proposed charging price. The case study indicates that the proposed peak, average, and valley price in Beijing should be 1.8, 1, and 0.4 yuan/kWh, which can promote the large-scale adoption of PEVs.

Simulation of trapping properties of high κ material as the charge storage layer for flash memory application

International Nuclear Information System (INIS)

Yeo, Yee Ngee; Wang Yingqian; Samanta, Santanu Kumar; Yoo, Won Jong; Samudra, Ganesh; Gao, Dongyue; Chong, Chee Ching

2006-01-01

We investigated the trapping properties of high κ material as the charge storage layer in non-volatile flash memory devices using a two-dimensional device simulator, Medici. The high κ material is sandwiched between two silicon oxide layers, resulting in the Silicon-Oxide-High κ-Oxide-Silicon (SOHOS) structure. The trap energy levels of the bulk electron traps in high κ material were determined. The programming and erasing voltage and time using Fowler Nordheim tunneling were estimated by simulation. The effect of deep level traps on erasing was investigated. Also, the effect of bulk traps density, thickness of block oxide and thickness of high κ material on the threshold voltage of the device was simulated

Theory and experimental study of biased charge collector for measuring HPIB

International Nuclear Information System (INIS)

He Xiaoping; Wang Haiyang; Sun Jianfeng; Yang Hailiang; Qiu Aici; Tang Junping; Li Jingya; Li Hongyu

2004-01-01

Structure of the biased charge collector for measuring HPIB (High-power ion beam) is introduced in this paper. The inner charge propagation process of HPIB in the biased charge collector was simulated with KARAT PIC code. The simulation results indicated that charge was neutralized but current was not neutralized in the biased charge collector. The influence of biased voltage and aperture diameter were also simulated. A -800V biased voltage can meet the requirement for measuring 500 keV HPIB, and this is consistent with the experimental results

Numerical computation of discrete differential scattering cross sections for Monte Carlo charged particle transport

International Nuclear Information System (INIS)

Walsh, Jonathan A.; Palmer, Todd S.; Urbatsch, Todd J.

2015-01-01

Highlights: • Generation of discrete differential scattering angle and energy loss cross sections. • Gauss–Radau quadrature utilizing numerically computed cross section moments. • Development of a charged particle transport capability in the Milagro IMC code. • Integration of cross section generation and charged particle transport capabilities. - Abstract: We investigate a method for numerically generating discrete scattering cross sections for use in charged particle transport simulations. We describe the cross section generation procedure and compare it to existing methods used to obtain discrete cross sections. The numerical approach presented here is generalized to allow greater flexibility in choosing a cross section model from which to derive discrete values. Cross section data computed with this method compare favorably with discrete data generated with an existing method. Additionally, a charged particle transport capability is demonstrated in the time-dependent Implicit Monte Carlo radiative transfer code, Milagro. We verify the implementation of charged particle transport in Milagro with analytic test problems and we compare calculated electron depth–dose profiles with another particle transport code that has a validated electron transport capability. Finally, we investigate the integration of the new discrete cross section generation method with the charged particle transport capability in Milagro.

Single-Bunch Stability With Direct Space Charge

CERN Multimedia

Oeftiger, Adrian

2017-01-01

Previous studies have shown the suppressing effect of direct space charge on impedance-driven head-tail instabilities. The present work investigates transverse stability for the HL-LHC scenario based on our macro-particle simulation tool PyHEADTAIL using realistic bunch distributions. The impact of selfconsistent modelling is briefly discussed for non-linear space charge forces. We study how space charge pushes the instability threshold for the transverse mode coupling instability (TMCI) occurring between mode 0 and -1. Next we consider finite chromaticity: in absence of space charge, the impedance model predicts head-tail instabilities. For a selected case below TMCI threshold at Q0 = 5, we demonstrate the stabilising effect of space charge. Finally, we compare simulation results to past LHC measurements.

Charge sharing and charge loss in a cadmium-zinc-telluride fine-pixel detector array

International Nuclear Information System (INIS)

Gaskin, J.A.; Sharma, D.P.; Ramsey, B.D.

2003-01-01

Because of its high atomic number, room temperature operation, low noise, and high spatial resolution a cadmium-zinc-telluride multi-pixel detector is ideal for hard X-ray astrophysical observation. As part of on-going research at MSFC to develop multi-pixel CdZnTe detectors for this purpose, we have measured charge sharing and charge loss for a 4x4 (750 μm pitch), 1 mm thick pixel array and modeled these results using a Monte-Carlo simulation. This model was then used to predict the amount of charge sharing for a much finer pixel array (with a 300 μm pitch). Future work will enable us to compare the simulated results for the finer array to measured values

An accurate and linear-scaling method for calculating charge-transfer excitation energies and diabatic couplings

Energy Technology Data Exchange (ETDEWEB)

Pavanello, Michele [Department of Chemistry, Rutgers University, Newark, New Jersey 07102-1811 (United States); Van Voorhis, Troy [Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139-4307 (United States); Visscher, Lucas [Amsterdam Center for Multiscale Modeling, VU University, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands); Neugebauer, Johannes [Theoretische Organische Chemie, Organisch-Chemisches Institut der Westfaelischen Wilhelms-Universitaet Muenster, Corrensstrasse 40, 48149 Muenster (Germany)

2013-02-07

Quantum-mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those charge transfer excitations that take place between non-covalently bound molecules. In particular, we present a method that scales linearly with the number of non-covalently bound molecules in the system and is based on a two-pronged approach: The molecular electronic structure of broken-symmetry charge-localized states is obtained with the frozen density embedding formulation of subsystem density-functional theory; subsequently, in a post-SCF calculation, the full-electron Hamiltonian and overlap matrix elements among the charge-localized states are evaluated with an algorithm which takes full advantage of the subsystem DFT density partitioning technique. The method is benchmarked against coupled-cluster calculations and achieves chemical accuracy for the systems considered for intermolecular separations ranging from hydrogen-bond distances to tens of Angstroms. Numerical examples are provided for molecular clusters comprised of up to 56 non-covalently bound molecules.

Simulations of charge transport in organic light emitting diodes

International Nuclear Information System (INIS)

Martin, Simon James

2002-01-01

In this thesis, two approaches to the modelling of charge transport in organic light emitting diodes (OLEDs) are presented. The first is a drift-diffusion model, normally used when considering conventional crystalline inorganic semiconductors (e.g. Si or lll-V's) which have well defined energy bands. In this model, electron and hole transport is described using the current continuity equations and the drift-diffusion current equations, and coupled to Poisson's equation. These equations are solved with the appropriate boundary conditions, which for OLEDs are Schottky contacts; carriers are injected by thermionic emission and tunnelling. The disordered nature of the organic semiconductors is accounted for by the inclusion of field-dependent carrier mobilities and Langevin optical recombination. The second approach treats the transport of carriers in disordered organic semi-conductors as a hopping process between spatially and energetically disordered sites. This method has been used previously to account for the observed temperature and electric field dependence of carrier mobilities in disordered organic semiconductors. A hopping transport model has been developed which accounts explicitly for the structure in highly ordered films of rigid rod liquid-crystalline conjugated polymers. Chapter 2 discusses the formation of metal-semiconductor contacts, and current injection processes in OLEDs. If the barrier to carrier injection at a metal-semiconductor contact is small, or the contact is Ohmic, then the current may be space charge limited; this second limiting regime of current flow for OLEDs is also described. The remainder of Chapter 2 describes the drift-diffusion model used in this work in some detail. Chapter 3 contains results obtained from modelling the J-V characteristics of single-layer OLEDs, which are compared to experimental data in order to validate the drift-diffusion model. Chapter 4 contains results of simulating bi-layer OLEDs; rather than examining J

Electrostatic charges generated on aerosolisation of dispersions

International Nuclear Information System (INIS)

Wang, Yanyang

2001-01-01

In responding to the international community's agreement of phasing out chlorofluorocarbon (CFC) propellants by the year 2000, hydrofluoroalkane (HFA) has been chosen to replace CFCs. Intensive investigations related to the new propellant products have been carried out. Aerosol electrostatics is one of the topics investigated. To understand and subsequently control the charging processes is the motive of the research reported here. To help elucidate the complex charging process occurring naturally during atomization of liquids from pressurised Metered Dose Inhalers (pMDIs), it has been broken down into a sequence of related, simpler sub processes-drop charging, streaming current charging (coarse spray), splashing charging and fine spray charging. Our initial studies are of single drops forming at and breaking away from the tips of capillary tubes. The drop forming processes are so slow that any hydrodynamic effect can be dismissed. Then the charge on the drop is measured. It is found that the charge on water drops is always negative (∼ 10 -14 C) at field-free condition and the magnitude of the charge increases as the drop size increases and the surrounding tube diameter decreases. With salt solutions, the charge on drops is negative at dilute solutions, decreases in magnitude as the concentration of electrolytes increases and finally reverses the sign of charge at approximately 1 M - drop charge becomes positive. All these experimental results can be explained in terms of contact potential between liquid and the inner wall of the capillary, which sets up an electric field between the pendant drop and the surrounding tube. Then computational simulation work is carried out and the data are compared with experimental results. It is found that the computer simulation data are in accord with experimental observations. This is a potential method to measure absolute potential difference between a liquid and a solid. Secondly, the hydrodynamic processes are investigated

Interactions between charged spherical macroions

International Nuclear Information System (INIS)

Stevens, M.J.; Falk, M.L.; Robbins, M.O.

1996-01-01

Monte Carlo (MC) simulations were used to study the screened interactions between charged spherical macroions surrounded by discrete counterions, and to test previous theories of screening. The simulations were performed in the primitive cell of the bcc lattice, and in the spherical Wigner endash Seitz cell that is commonly used in approximate calculations. We found that the Wigner endash Seitz approximation is valid even at high volume fractions φ and large macroion charges Z, because the macroion charge becomes strongly screened. Pressures calculated from Poisson endash Boltzmann theory and local density functional theory deviate from MC values as φ and Z increase, but continue to provide upper and lower bounds for the MC results. While Debye endash Hueckel (DH) theory fails badly when the bare charge is used, MC pressures can be fit with an effective DH charge, Z DH , that is nearly independent of volume fraction. As Z diverges, Z DH saturates at zψ max R m /λ, where z is the counterion charge, R m is the macroion radius, λ is the Bjerrum length, and ψ max is a constant of order 10. copyright 1996 American Institute of Physics

Space-charge-dominated beam dynamics simulations using the massively parallel processors (MPPs) of the Cray T3D

International Nuclear Information System (INIS)

Liu, H.

1996-01-01

Computer simulations using the multi-particle code PARMELA with a three-dimensional point-by-point space charge algorithm have turned out to be very helpful in supporting injector commissioning and operations at Thomas Jefferson National Accelerator Facility (Jefferson Lab, formerly called CEBAF). However, this algorithm, which defines a typical N 2 problem in CPU time scaling, is very time-consuming when N, the number of macro-particles, is large. Therefore, it is attractive to use massively parallel processors (MPPs) to speed up the simulations. Motivated by this, the authors modified the space charge subroutine for using the MPPs of the Cray T3D. The techniques used to parallelize and optimize the code on the T3D are discussed in this paper. The performance of the code on the T3D is examined in comparison with a Parallel Vector Processing supercomputer of the Cray C90 and an HP 735/15 high-end workstation

Something from nothing: self-charging of identical grains

Science.gov (United States)

Shinbrot, Troy; Yoshimatsu, Ryuta; Nuno Araujo, Nuno; Wurm, Gerhard; Herrmann, Hans

We investigate the electrostatic charging of an agitated bed of identical grains using simulations, mathematical modeling, and experiments. We simulate charging with a discrete-element model including electrical multipoles and find that infinitesimally small initial charges can grow exponentially rapidly. We propose a mathematical Turing model that defines conditions for exponential charging to occur and provides insights into the mechanisms involved. Finally, we confirm the predicted exponential growth in experiments using vibrated grains under microgravity, and we describe novel predicted spatiotemporal states that merit further study. I acknowledge support from NSF/DMR, award 1404792.

Comparison of n-γ discrimination by zero-crossing and digital charge comparison methods

International Nuclear Information System (INIS)

Wolski, D.; Moszynski, M.; Ludziejewski, T.; Johnson, A.; Klamra, W.; Skeppstedt, Oe.

1995-01-01

A comparative study of the n-γ discrimination done by the digital charge comparison and zero-crossing methods was carried out for a 130 mm in diameter and 130 mm high BC501A liquid scintillator coupled to a 130 mm diameter XP4512B photomultiplier. The high quality of the tested detector was reflected in a photoelectron yield of 2300±100 phe/MeV and excellent n-γ discrimination properties with energy discrimination thresholds corresponding to very low neutron (or electron) energies. The superiority of the Z/C method was demonstrated for the n-γ discrimination method alone, as well as, for the simultaneous separation by the pulse shape discrimination and the time-of-flight methods down to about 30 keV recoil electron energy. The digital charge comparison method fails for a large dynamic range of energy and its separation is weakly improved by time-of-flight method for low energies. (orig.)

Numerical simulation of long-term radiation effects for MOSFETs

International Nuclear Information System (INIS)

Wei Yuan; Xie Honggang; Gong Ding; Zhu Jinhui; Niu Shengli; Huang Liuxing

2013-01-01

A coupled algorithm is introduced to simulate the long-term radiation effects of MOSFETs, which combines particle transport with semiconductor governing equations. The former is dealt with Monte-Carlo method, and the latter is solved by finite-volume method. The trapped charge in SiO 2 and the free charge in Si are both described by the drift-diffusion model, and the deposited energy by incident particles can be coupled with the continuous equations of charge, acting as a source item. The discrete form of governing equations is obtained using the finite-volume method, and the numerical solutions of these equations are the long-term radiation response result of MOSFETs. The threshold voltage shift and off-state leakage current of an irradiated MOSFET are simulated with the coupled algorithm respectively, showing a good accordance with results by other calculations. (authors)

Explicit symplectic algorithms based on generating functions for relativistic charged particle dynamics in time-dependent electromagnetic field

Science.gov (United States)

Zhang, Ruili; Wang, Yulei; He, Yang; Xiao, Jianyuan; Liu, Jian; Qin, Hong; Tang, Yifa

2018-02-01

Relativistic dynamics of a charged particle in time-dependent electromagnetic fields has theoretical significance and a wide range of applications. The numerical simulation of relativistic dynamics is often multi-scale and requires accurate long-term numerical simulations. Therefore, explicit symplectic algorithms are much more preferable than non-symplectic methods and implicit symplectic algorithms. In this paper, we employ the proper time and express the Hamiltonian as the sum of exactly solvable terms and product-separable terms in space-time coordinates. Then, we give the explicit symplectic algorithms based on the generating functions of orders 2 and 3 for relativistic dynamics of a charged particle. The methodology is not new, which has been applied to non-relativistic dynamics of charged particles, but the algorithm for relativistic dynamics has much significance in practical simulations, such as the secular simulation of runaway electrons in tokamaks.

Collaborative simulation method with spatiotemporal synchronization process control

Science.gov (United States)

Zou, Yisheng; Ding, Guofu; Zhang, Weihua; Zhang, Jian; Qin, Shengfeng; Tan, John Kian

2016-10-01

When designing a complex mechatronics system, such as high speed trains, it is relatively difficult to effectively simulate the entire system's dynamic behaviors because it involves multi-disciplinary subsystems. Currently,a most practical approach for multi-disciplinary simulation is interface based coupling simulation method, but it faces a twofold challenge: spatial and time unsynchronizations among multi-directional coupling simulation of subsystems. A new collaborative simulation method with spatiotemporal synchronization process control is proposed for coupling simulating a given complex mechatronics system across multiple subsystems on different platforms. The method consists of 1) a coupler-based coupling mechanisms to define the interfacing and interaction mechanisms among subsystems, and 2) a simulation process control algorithm to realize the coupling simulation in a spatiotemporal synchronized manner. The test results from a case study show that the proposed method 1) can certainly be used to simulate the sub-systems interactions under different simulation conditions in an engineering system, and 2) effectively supports multi-directional coupling simulation among multi-disciplinary subsystems. This method has been successfully applied in China high speed train design and development processes, demonstrating that it can be applied in a wide range of engineering systems design and simulation with improved efficiency and effectiveness.

Modeling of plug-in electric vehicle travel patterns and charging load based on trip chain generation

Science.gov (United States)

Wang, Dai; Gao, Junyu; Li, Pan; Wang, Bin; Zhang, Cong; Saxena, Samveg

2017-08-01

Modeling PEV travel and charging behavior is the key to estimate the charging demand and further explore the potential of providing grid services. This paper presents a stochastic simulation methodology to generate itineraries and charging load profiles for a population of PEVs based on real-world vehicle driving data. In order to describe the sequence of daily travel activities, we use the trip chain model which contains the detailed information of each trip, namely start time, end time, trip distance, start location and end location. A trip chain generation method is developed based on the Naive Bayes model to generate a large number of trips which are temporally and spatially coupled. We apply the proposed methodology to investigate the multi-location charging loads in three different scenarios. Simulation results show that home charging can meet the energy demand of the majority of PEVs in an average condition. In addition, we calculate the lower bound of charging load peak on the premise of lowest charging cost. The results are instructive for the design and construction of charging facilities to avoid excessive infrastructure.

Slow sedimentation and deformability of charged lipid vesicles.

Directory of Open Access Journals (Sweden)

Iván Rey Suárez

Full Text Available The study of vesicles in suspension is important to understand the complicated dynamics exhibited by cells in in vivo and in vitro. We developed a computer simulation based on the boundary-integral method to model the three dimensional gravity-driven sedimentation of charged vesicles towards a flat surface. The membrane mechanical behavior was modeled using the Helfrich Hamiltonian and near incompressibility of the membrane was enforced via a model which accounts for the thermal fluctuations of the membrane. The simulations were verified and compared to experimental data obtained using suspended vesicles labelled with a fluorescent probe, which allows visualization using fluorescence microscopy and confers the membrane with a negative surface charge. The electrostatic interaction between the vesicle and the surface was modeled using the linear Derjaguin approximation for a low ionic concentration solution. The sedimentation rate as a function of the distance of the vesicle to the surface was determined both experimentally and from the computer simulations. The gap between the vesicle and the surface, as well as the shape of the vesicle at equilibrium were also studied. It was determined that inclusion of the electrostatic interaction is fundamental to accurately predict the sedimentation rate as the vesicle approaches the surface and the size of the gap at equilibrium, we also observed that the presence of charge in the membrane increases its rigidity.

Depth profiling of oxide-trapped charges in 6H-SiC MOS structures by slant etching method

Energy Technology Data Exchange (ETDEWEB)

Saitoh, Kazunari; Takahashi, Yoshihiro; Ohnishi, Kazunori [Nihon Univ., Tokyo (Japan). Coll. of Science and Technology; Yoshikawa, Masahito; Ohshima, Takeshi; Itoh, Hisayoshi; Nashiyama, Isamu

1997-03-01

In this paper, we propose a method to evaluate the depth profile of trapped charges in an oxide layer on SiC. Using this method, 6H-SiC MOS structures with different oxide thickness were fabricated on the same substrate under the same oxidation condition, and the depth profile of oxide-trapped charges before and after {sup 60}Co-gamma ray irradiation were obtained. It is found, from the depth profiling, that the trapping mechanism of electrons and holes in the oxide strongly depends on the bias polarity during irradiation, and these charges are trapped near 6H-SiC/SiO{sub 2} interface. We believe that this method is very useful for estimation of the oxide-trapped charges in 6H-SiC MOS structures. (author)

Baryon axial charges from chirally improved fermions - first results

Science.gov (United States)

Engel, G.; Gattringer, C.; Glozman, L. Y.; Lang, C. B.; Limmer, M.; Mohler, D.; Schäfer, A.

We present first results from dynamical Chirally Improved (CI) fermion simulations for the axial charge $G_A$ of various hadrons. We work with 16^3x32 lattices of spatial extent 2.4 fm and use the variational method with a suitable basis of Jacobi-smeared interpolators to suppress contaminations from excited states.

Research on State-of-Charge (SOC) estimation using current integration based on temperature compensation

Science.gov (United States)

Yin, J.; Shen, Y.; Liu, X. T.; Zeng, G. J.; Liu, D. C.

2017-11-01

The traditional current integral method for the state-of-charge (SOC) estimation has an unusable estimation accuracy because of the current measuring error. This paper proposed a closed-loop temperature compensation method to improve the SOC estimation accuracy of current integral method by eliminating temperature drift. Through circuit simulation result in Multisim, the stability of current measuring accuracy is improved by more than 10 times. In a designed 70 charge-discharge experimental circle, the SOC estimation error with temperature compensation had 30 times less than error in normal situation without compensation.

Marx Generator Charged via Biperiodic Resonant Cascaded Transformers

Science.gov (United States)

Potter, Rudolf H.

In this work, a novel method for charging solid state Marx generators is described for the first time. We first review the utility of modulators for powering high power microwave devices. The principal of operation of the Marx generator is then described starting with the classic topology and leading to solid state topologies. The concept of a generalized Marx generator is introduced and several methods of charging are discussed. A resonant cascaded transformers topology emerges from this discussion. Resonant modes are discussed and the topology is refined to take advantage of the pi/2 mode leading to the circuit that is the focus of this work. We begin our analysis of this circuit by considering the corresponding infinite biperiodic system and derive the characteristic dispersion relation. Motivation for closing the stopband is discussed and benefits of the pi/2 mode are noted. We proceed next to derive the matrix equation for the corresponding lossless system of coupled oscillators. To test and verify the analytic work, a five cell benchtop prototype of the charging system is built and its resonant modes are determined empirically. Capacitors in odd numbered resonators are each connected to the input of a voltage doubler circuit and high voltage dc is generated. A MOSFET is added to the output of each doubler circuit and pulsed output is demonstrated. A SPICE simulation of the physical circuit is created. The mode frequencies from the simulation are in good agreement with those measured and calculated. A practical high-power design is considered for the E2V/Teledyne MG7095 magnetron and simulated in SPICE.

Simulation of Rossi-α method with analog Monte-Carlo method

International Nuclear Information System (INIS)

Lu Yuzhao; Xie Qilin; Song Lingli; Liu Hangang

2012-01-01

The analog Monte-Carlo code for simulating Rossi-α method based on Geant4 was developed. The prompt neutron decay constant α of six metal uranium configurations in Oak Ridge National Laboratory were calculated. α was also calculated by Burst-Neutron method and the result was consistent with the result of Rossi-α method. There is the difference between results of analog Monte-Carlo simulation and experiment, and the reasons for the difference is the gaps between uranium layers. The influence of gaps decrease as the sub-criticality deepens. The relative difference between results of analog Monte-Carlo simulation and experiment changes from 19% to 0.19%. (authors)

Impact of charge-transfer excitons in regioregular polythiophene on the charge separation at polythiophene-fullerene heterojunctions

Science.gov (United States)

Polkehn, M.; Tamura, H.; Burghardt, I.

2018-01-01

This study addresses the mechanism of ultrafast charge separation in regioregular oligothiophene-fullerene assemblies representative of poly-3-hexylthiophene (P3HT)-[6,6]-phenyl-C61 butyric acid methyl ester (PCBM) heterojunctions, with special emphasis on the inclusion of charge transfer excitons in the oligothiophene phase. The formation of polaronic inter-chain charge separated species in highly ordered oligothiophene has been demonstrated in recent experiments and could have a significant impact on the net charge transfer to the fullerene acceptor. The present approach combines a first-principles parametrized multi-site Hamiltonian, based on time-dependent density functional theory calculations, with accurate quantum dynamics simulations using the multi-layer multi-configuration time-dependent Hartree method. Quantum dynamical studies are carried out for up to 182 electronic states and 112 phonon modes. The present analysis follows up on our previous study of (Huix-Rotllant et al 2015 J. Phys. Chem. Lett. 6 1702) and significantly expands the scope of this analysis by including the dynamical role of charge transfer excitons. Our investigation highlights the pronounced mixing of photogenerated Frenkel excitons with charge transfer excitons in the oligothiophene domain, and the opening of new transfer channels due the creation of such charge-separated species. As a result, it turns out that the interfacial donor/acceptor charge transfer state can be largely circumvented due to the presence of charge transfer excitons. However, the latter states in turn act as a trap, such that the free carrier yield observed on ultrafast time scales is tangibly reduced. The present analysis underscores the complexity of the transfer pathways at P3HT-PCBM type junctions.

Apparatus and method for generating a magnetic field by rotation of a charge holding object

Science.gov (United States)

Gerald, II, Rex E.; Vukovic, Lela [Westchester, IL; Rathke, Jerome W [Homer Glenn, IL

2009-10-13

A device and a method for the production of a magnetic field using a Charge Holding Object that is mechanically rotated. In a preferred embodiment, a Charge Holding Object surrounding a sample rotates and subjects the sample to one or more magnetic fields. The one or more magnetic fields are used by NMR Electronics connected to an NMR Conductor positioned within the Charge Holding Object to perform NMR analysis of the sample.

Electric Vehicle Fast-Charging Station Unified Modeling and Stability Analysis in the dq Frame

Directory of Open Access Journals (Sweden)

Xiang Wang

2018-05-01

Full Text Available The electric vehicle fast-charging station is an important guarantee for the popularity of electric vehicle. As the fast-charging piles are voltage source converters, stability issues will occur in the grid-connected fast-charging station. Since the dynamic input admittance of the fast-charging pile and the dynamic output impedance play an important role in the interaction system stability, the station and grid interaction system is regarded as load-side and source-side sub-systems to build the dynamic impedance model. The dynamic input admittance in matrix form is derived from the fast-charging pile current control loop considering the influence of the LC filter. Similarly, the dynamic output impedance can be obtained similarly by considering the regional power grid capacity, transformer capacity, and feed line length. On this basis, a modified forbidden region-based stability criterion is used for the fast-charging station stability analysis. The frequency-domain case studies and time-domain simulations are presented next to show the influence of factors from both the power grid side and fast-charging pile side. The simulation results validated the effectiveness of the dq frame impedance model and the stability analysis method.

Simple supercapacitor charging scheme of an electric vehicle on small-scale hardware simulator: a prototype development for education purpose

Directory of Open Access Journals (Sweden)

Adnan Rafi Al Tahtawi

2016-12-01

Full Text Available Supercapacitor is one of electrical energy sources that have faster charging-discharging times when compared to other power sources, such as battery and fuel cell. Therefore, it is often used as an additional power source in an electric vehicle. In this paper, a prototype of small-scale electric vehicle simulator (EVS is built and a simple charging scheme of supercapacitor is used for education purpose. EVS is an electric vehicle prototype which can show the vehicle’s powertrain on small-scale configuration. Main components of this device are two direct current motors (DCMs with a linked axis of rotation. Therefore one of them will be able to act as a generator. The supercapacitor charging scheme is employed by controlling the relays. The hardware experimental result shows that the averages of charging current are proportional to the maximum slope angle of the road profiles. This scheme is simple due to the EVS utility and it is useful for education purpose.

Method of estimating the State-of-Charge and of the use time left of a rechageable battery, and apparatus for executing such a method

NARCIS (Netherlands)

Bergveld, Hendrik Johannes; Pop, V.; Notten, Petrus Henricus Laurentius

2006-01-01

Disclosed is a method of estimating the state-of-charge of a rechargeable battery, taking into account the factors battery spread and ageing. The method comprises the steps of: determining the starting state-of-charge of the battery by measuring the voltage across the battery and converting this

A Method to Overcome Space Charge at Injection

International Nuclear Information System (INIS)

Ya. Derbenev

2005-01-01

The transverse space charge forces in a high current, low energy beam can be reduced by mean of a large increase of the beam's transverse sizes while maintaining the beam area in the 4D phase space. This can be achieved by transforming the beam area in phase space of each of two normal 2D transverse (either plane or circular) modes from a spot shape into a narrow ring of a large amplitude, but homogeneous in phase. Such a transformation results from the beam evolution in the island of a dipole resonance when the amplitude width of the island shrinks adiabatically. After stacking (by using stripping foils or cooling) the beam in such a state and accelerating to energies sufficiently high that the space charge becomes insignificant, the beam then can be returned back to a normal spot shape by applying the reverse transformation. An arrangement that can provide such beam gymnastics along a transport line after a linac and before a booster and/or in a ring with circulating beam will be described and numerical estimates will be presented. Other potential applications of the method will be briefly discussed

Topological analysis of valence electron charge distributions from semiempirical and ab initio methods

International Nuclear Information System (INIS)

Ho, Minhhuy; Schmider, H.; Edgecombe, K.E.

1994-01-01

Topological properties of the charge density p(→) of a series of diatomic molecules, as well as ethane, ethene, and acetylene are calculated at the Hartree-Fock level employing various basis sets, and by the AM1 method. The effect of the core orbitals on the bonding regions in these molecules is examined. The results help to evaluate the utility of AM1 wavefunctions for analyzing the topological properties of the charge density

Influence of displacement gradients on the interpretation of charged particle simulation experiments

International Nuclear Information System (INIS)

Garner, F.A.; Guthrie, G.L.

1975-08-01

Neutron flux and spectrum gradients are negligible within a single grain of structural materials in fusion reactors. In charged particle simulation, however, substantial gradients exist in the flux of displaced atoms (dpa) along the ion path, which is typically several microns or less in length. In interpretation of such experiments, one must account for the influence of variables that are atypical of the simulated environment. Experimental and modeling studies show that dpa gradients lead to gradients in microstructure, which in turn modify the effect of diffusion on the effective growth environment of voids and other defects. For some ions, these effects are overwhelmed by a phenomenon designated the ''internal temperature shift.'' Although the physical temperature is relatively invariant along the ion path, the temperature regime of swelling shifts as the displacement rate changes. The swelling vs. depth profile is altered substantially from that expected from the dpa profile, and the type of modification is dependent on the relation of the irradiation temperature to the peak swelling temperature at the mean displacement flux. Swelling profiles for a variety of simulations were analyzed and found to include the influence of surface denuded zones, incubation effects, diffusion, swelling-generated stresses and internal temperature shifts. The impact of the latter imposes restrictions on the interpretation of step height measurements and full range intercorrelations for high energy ions

Influence of displacement gradients on the interpretation of charged particle simulation experiments

International Nuclear Information System (INIS)

Garner, F.A.; Guthrie, G.L.

1976-01-01

Neutron flux and spectrum gradients are negligible within a single grain of structural materials in fusion reactors. In charged particle simulation, however, substantial gradients exist in the flux of displaced atoms (dpa) along the ion path, which is typically several microns or less in length. In interpretation of such experiments, one must account for the influence of variables that are atypical of the simulated environment. Experimental and modeling studies show that dpa gradients lead to gradients in microstructure, which in turn modify the effect of diffusion on the effective growth environment of voids and other defects. For some ions, these effects are overwhelmed by a phenomenon designated the ''internal temperature shift.'' Although the physical temperature is relatively invariant along the ion path, the temperature regime of swelling shifts as the displacement rate changes. The swelling vs. depth profile is altered substantially from that expected from the dpa profile, and the type of modification is dependent on the relation of the irradiation temperature to the peak swelling temperature at the mean displacement flux. Swelling profiles for a variety of simulations were analyzed and found to include the influence of surface denuded zones, incubation effects, diffusion, swelling-generated stresses and internal temperature shifts. The impact of the latter imposes restrictions on the interpretation of step height measurements and full range intercorrelations for high energy ions

A variable pressure method for characterizing nanoparticle surface charge using pore sensors.

Science.gov (United States)

Vogel, Robert; Anderson, Will; Eldridge, James; Glossop, Ben; Willmott, Geoff

2012-04-03

A novel method using resistive pulse sensors for electrokinetic surface charge measurements of nanoparticles is presented. This method involves recording the particle blockade rate while the pressure applied across a pore sensor is varied. This applied pressure acts in a direction which opposes transport due to the combination of electro-osmosis, electrophoresis, and inherent pressure. The blockade rate reaches a minimum when the velocity of nanoparticles in the vicinity of the pore approaches zero, and the forces on typical nanoparticles are in equilibrium. The pressure applied at this minimum rate can be used to calculate the zeta potential of the nanoparticles. The efficacy of this variable pressure method was demonstrated for a range of carboxylated 200 nm polystyrene nanoparticles with different surface charge densities. Results were of the same order as phase analysis light scattering (PALS) measurements. Unlike PALS results, the sequence of increasing zeta potential for different particle types agreed with conductometric titration.

Analysis of charge transport in gels containing polyoxometallates using methods of different sensitivity to migration.

Science.gov (United States)

Caban, Karolina; Lewera, Adam; Zukowska, Grazyna Z; Kulesza, Pawel J; Stojek, Zbigniew; Jeffrey, Kenneth R

2006-08-04

Two methods have been used for examination of transport of charge in gels soaked with DMF and containing dissolved polyoxometallates. The first method is based on the analysis of both Cottrellian and steady-state currents and therefore is capable of giving the concentration of the electroactive redox centres and their transport (diffusion-type) coefficient. The second method provides the real diffusion coefficients, i.e. transport coefficients free of migrational influence, for both the substrate and the product of the electrode reaction. Several gels based on poly(methyl methacrylate), with charged (addition of 1-acrylamido-2-methyl-2-propanesulphonic acid to the polymerization mixture) and uncharged chains, have been used in the investigation. The ratio obtained for the diffusion coefficient (second method) and transport coefficient (first method) was smaller for the gels containing charged polymer chains than for the gels with uncharged chains. In part these changes could be explained by the contribution of migration to the transport of polyoxomatallates in the gels. However, the impact of the changes in the polymer-channel capacity at the electrode surface while the electrode process proceeds was also considered. These structural changes should affect differently the methods based on different time domains.

Estimation of optimum time interval for neutron- γ discrimination by simplified digital charge collection method

International Nuclear Information System (INIS)

Singh, Harleen; Singh, Sarabjeet

2014-01-01

The discrimination of mixed radiation field is of prime importance due to its application in neutron detection which leads to radiation safety, nuclear material detection etc. The liquid scintillators are one of the most important radiation detectors because the relative decay rate of neutron pulse is slower as compared to gamma radiation in these detectors. There are techniques like zero crossing and charge comparison which are very popular and implemented using analogue electronics. In the recent years due to availability of fast ADC and FPGA, digital methods for discrimination of mixed field radiations have been investigated. Some of the digital time domain techniques developed are pulse gradient analysis (PGA), simplified digital charge collection method (SDCC), digital zero crossing method. The performance of these methods depends on the appropriate selection of gate time for which the pulse is processed. In this paper, the SDCC method is investigated for a neutron-gamma mixed field. The main focus of the study is to get the knowledge of optimum gate time which is very important in neutron gamma discrimination analysis in a mixed radiation field. The comparison with charge collection (CC) method is also investigated

Simulation of new p-type strip detectors with trench to enhance the charge multiplication effect in the n-type electrodes

International Nuclear Information System (INIS)

Fernández-Martínez, P.; Pellegrini, G.; Balbuena, J.P.; Quirion, D.; Hidalgo, S.; Flores, D.; Lozano, M.; Casse, G.

2011-01-01

This paper shows the simulation results of new p-type strip detectors with trench electrodes to enhance the charge multiplication effect in the irradiated detector. The new design includes baby microstrip detectors (area=1 cm 2 ) with a strip pitch of 80 μm and p-stop isolation structures. The strip has a 5 μm-wide trench along all its length, filled and doped with polysilicon to create a deep N + contact into the material bulk. The trench depth can be varied in order to study the influence of the electric field on the charge multiplication effect in heavily irradiated samples. Some alternative designs have also been studied to establish a comparison between various structures using different technologies. Simulation reproduce the electrical behaviour under different irradiation conditions, taking into account the damage accumulated after irradiation with neutrons and protons with several fluence values. The investigation of these effects provides important indications on the ability of this modified electrode geometry to control and optimise the charge multiplication effect, in order to fully recover the collection efficiency of heavily irradiated microstrip detectors, at reasonable bias voltage compatible with the voltage feed limitation of the CERN SLHC experiments.

Methods for Monte Carlo simulations of biomacromolecules.

Science.gov (United States)

Vitalis, Andreas; Pappu, Rohit V

2009-01-01

The state-of-the-art for Monte Carlo (MC) simulations of biomacromolecules is reviewed. Available methodologies for sampling conformational equilibria and associations of biomacromolecules in the canonical ensemble, given a continuum description of the solvent environment, are reviewed. Detailed sections are provided dealing with the choice of degrees of freedom, the efficiencies of MC algorithms and algorithmic peculiarities, as well as the optimization of simple movesets. The issue of introducing correlations into elementary MC moves, and the applicability of such methods to simulations of biomacromolecules is discussed. A brief discussion of multicanonical methods and an overview of recent simulation work highlighting the potential of MC methods are also provided. It is argued that MC simulations, while underutilized biomacromolecular simulation community, hold promise for simulations of complex systems and phenomena that span multiple length scales, especially when used in conjunction with implicit solvation models or other coarse graining strategies.

Full wave simulation of waves in ECRIS plasmas based on the finite element method

Energy Technology Data Exchange (ETDEWEB)

Torrisi, G. [INFN - Laboratori Nazionali del Sud, via S. Sofia 62, 95123, Catania, Italy and Università Mediterranea di Reggio Calabria, Dipartimento di Ingegneria dell' Informazione, delle Infrastrutture e dell' Energia Sostenibile (DIIES), Via Graziella, I (Italy); Mascali, D.; Neri, L.; Castro, G.; Patti, G.; Celona, L.; Gammino, S.; Ciavola, G. [INFN - Laboratori Nazionali del Sud, via S. Sofia 62, 95123, Catania (Italy); Di Donato, L. [Università degli Studi di Catania, Dipartimento di Ingegneria Elettrica Elettronica ed Informatica (DIEEI), Viale Andrea Doria 6, 95125 Catania (Italy); Sorbello, G. [INFN - Laboratori Nazionali del Sud, via S. Sofia 62, 95123, Catania, Italy and Università degli Studi di Catania, Dipartimento di Ingegneria Elettrica Elettronica ed Informatica (DIEEI), Viale Andrea Doria 6, 95125 Catania (Italy); Isernia, T. [Università Mediterranea di Reggio Calabria, Dipartimento di Ingegneria dell' Informazione, delle Infrastrutture e dell' Energia Sostenibile (DIIES), Via Graziella, I-89100 Reggio Calabria (Italy)

2014-02-12

This paper describes the modeling and the full wave numerical simulation of electromagnetic waves propagation and absorption in an anisotropic magnetized plasma filling the resonant cavity of an electron cyclotron resonance ion source (ECRIS). The model assumes inhomogeneous, dispersive and tensorial constitutive relations. Maxwell's equations are solved by the finite element method (FEM), using the COMSOL Multiphysics{sup ®} suite. All the relevant details have been considered in the model, including the non uniform external magnetostatic field used for plasma confinement, the local electron density profile resulting in the full-3D non uniform magnetized plasma complex dielectric tensor. The more accurate plasma simulations clearly show the importance of cavity effect on wave propagation and the effects of a resonant surface. These studies are the pillars for an improved ECRIS plasma modeling, that is mandatory to optimize the ion source output (beam intensity distribution and charge state, especially). Any new project concerning the advanced ECRIS design will take benefit by an adequate modeling of self-consistent wave absorption simulations.

Charge exchange and ionization in atom-multiply-charged ion collisions

International Nuclear Information System (INIS)

Presnyakov, L.P.; Uskov, D.B.

1988-01-01

This study investigates one-electron transitions to the continuous and discrete spectra induced by a collision of atom A and multiply-charged ion B +Z with nuclear charge Z > 3. An analytical method is developed the charge-exchange reaction; this method is a generalization of the decay model and the approximation of nonadiabatic coupling of two states that are used as limiting cases in the proposed approach

An indirect method to measure the electric charge deposited on insulators during PIXE analysis

Energy Technology Data Exchange (ETDEWEB)

Dinator, M.I.; Cancino, S.A.; Miranda, P.A. [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, Nunoa, Santiago (Chile); Morales, J.R. [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Las Palmeras 3425, Nunoa, Santiago (Chile)], E-mail: rmorales@uchile.cl; Seelenfreund, A. [Universidad Academia de Humanismo Cristiano, Condell 343, Providencia, Santiago (Chile)

2007-10-15

Total charge deposited by a proton beam in an insulator during PIXE analysis has been indirectly determined using a Mylar film coated with cobalt. Elemental concentrations in the samples, pieces of volcanic glass, were obtained and compared to concentrations determined by ICP OES on the same samples. The strong agreement between these results shows the accuracy of the charge determined by this method.

Simulation of neutrons and gamma pulse signal and research on the pulse shape discrimination technology

International Nuclear Information System (INIS)

Zuo Guangxia; He Bin; Xu Peng; Qiu Xiaolin; Ma Wenyan; Li Sufen

2012-01-01

In neutrons detection, it is important to discriminate the neutron signals from the gamma-ray background. In this article, simulation of neutrons and gamma pulse signals is developed based on the LabVIEW platform. Two digital algorithms of the charge comparison method and the pulse duration time method are realized using 10000 simulation signals. Experimental results show that neutron and gamma pulse signals can be discriminated by the two methods, and the pulse duration time method is better than the charge comparison method. (authors)

Discretization of the induced-charge boundary integral equation.

Science.gov (United States)

Bardhan, Jaydeep P; Eisenberg, Robert S; Gillespie, Dirk

2009-07-01

Boundary-element methods (BEMs) for solving integral equations numerically have been used in many fields to compute the induced charges at dielectric boundaries. In this paper, we consider a more accurate implementation of BEM in the context of ions in aqueous solution near proteins, but our results are applicable more generally. The ions that modulate protein function are often within a few angstroms of the protein, which leads to the significant accumulation of polarization charge at the protein-solvent interface. Computing the induced charge accurately and quickly poses a numerical challenge in solving a popular integral equation using BEM. In particular, the accuracy of simulations can depend strongly on seemingly minor details of how the entries of the BEM matrix are calculated. We demonstrate that when the dielectric interface is discretized into flat tiles, the qualocation method of Tausch [IEEE Trans Comput.-Comput.-Aided Des. 20, 1398 (2001)] to compute the BEM matrix elements is always more accurate than the traditional centroid-collocation method. Qualocation is not more expensive to implement than collocation and can save significant computational time by reducing the number of boundary elements needed to discretize the dielectric interfaces.

Discretization of the induced-charge boundary integral equation.

Energy Technology Data Exchange (ETDEWEB)

Bardhan, J. P.; Eisenberg, R. S.; Gillespie, D.; Rush Univ. Medical Center

2009-07-01

Boundary-element methods (BEMs) for solving integral equations numerically have been used in many fields to compute the induced charges at dielectric boundaries. In this paper, we consider a more accurate implementation of BEM in the context of ions in aqueous solution near proteins, but our results are applicable more generally. The ions that modulate protein function are often within a few angstroms of the protein, which leads to the significant accumulation of polarization charge at the protein-solvent interface. Computing the induced charge accurately and quickly poses a numerical challenge in solving a popular integral equation using BEM. In particular, the accuracy of simulations can depend strongly on seemingly minor details of how the entries of the BEM matrix are calculated. We demonstrate that when the dielectric interface is discretized into flat tiles, the qualocation method of Tausch et al. [IEEE Trans Comput.-Comput.-Aided Des. 20, 1398 (2001)] to compute the BEM matrix elements is always more accurate than the traditional centroid-collocation method. Qualocation is not more expensive to implement than collocation and can save significant computational time by reducing the number of boundary elements needed to discretize the dielectric interfaces.

The role of water content in triboelectric charging of wind-blown sand.

Science.gov (United States)

Gu, Zhaolin; Wei, Wei; Su, Junwei; Yu, Chuck Wah

2013-01-01

Triboelectric charging is common in desert sandstorms and dust devils on Earth; however, it remains poorly understood. Here we show a charging mechanism of sands with the adsorbed water on micro-porous surface in wind-blown sand based on the fact that water content is universal but usually a minor component in most particle systems. The triboelectric charging could be resulted due to the different mobility of H(+)/OH(-) between the contacting sands with a temperature difference. Computational fluid dynamics (CFD) and discrete element method (DEM) were used to demonstrate the dynamics of the sand charging. The numerically simulated charge-to-mass ratios of sands and electric field strength established in wind tunnel agreed well with the experimental data. The charging mechanism could provide an explanation for the charging process of all identical granular systems with water content, including Martian dust devils, wind-blown snow, even powder electrification in industrial processes.

Using measurements of the aerosol charging state in determination of the particle growth rate and the proportion of ion-induced nucleation

Directory of Open Access Journals (Sweden)

J. Leppä

2013-01-01

Full Text Available The fraction of charged nucleation mode particles as a function of particle diameter depends on the particle growth rate and the proportion of particles formed via ion-induced nucleation. In this study we have tested the applicability of recent data analysis methods to determine the growth rate and the proportion of ion-induced nucleation from the measured charged fractions. For this purpose we have conducted a series of aerosol dynamic simulations covering a wide range of atmospheric conditions. The growth rate and initial fraction of charged particles were estimated from simulated data using these methods and compared with the values obtained directly from the simulations. We found that the data analysis methods used in this study should not be used when the nuclei growth rate is less than ~3 nm h⁻¹, or when charged particles grow much more rapidly than neutral ones. Furthermore, we found that the difference in removal rates of neutral and charged particles should be taken into account when estimating the proportion of ion-induced nucleation. Neglecting the higher removal rate of charged particles compared with that of neutral ones could result in an underestimation of the proportion of ion-induced nucleation by up to a factor of 2. This underestimation is further increased if charged particles grow more rapidly than neutral ones. We also provided a simple way of assessing whether these methods are suitable for analyzing data measured under specific conditions. The assessment procedure was illustrated using a few examples of actual measurement sites with a more detailed examination of the typical conditions observed at the SMEAR II station in Hyytiälä, Finland.

Application of CTOF method to detect secondly charged particle from 2 GeV electron

International Nuclear Information System (INIS)

Takahashi, Kazutoshi; Sanami, Toshiya; Ban, Syuichi; Lee, Hee-Seok; Sato, Tatsuhiko

2002-01-01

To design a shield and evaluate leakage radiation at high energy electron accelerators, the energy and angular data of secondary particle from the reaction of electrons with structural materials are required. Secondly neutron spectrum from structural materials has been measured by using electron accelerator in PAL (Pohang Accelerator Laboratory). In the neutron measurement, the electronics with Multi-hit TDC (MHTDC) was adopted to measure Time of Flight of every particles (TOFs) emitted from the reactions by each single electron bunch. The measurements are extended to secondly charged particles. For the charged particles measurement, the pulse height data for every particles are indispensable to distinguish charged particles by Δ E-E method. A new system which can measure pulse height for every particle is required instead of the MHTDC system. For this requirement, the method which can take output current from detectors was developed by using digital storage oscilloscope system is named ''Current Time of Flight method'' (CTOF). The CTOF method is able to measure pulse height and TOF for every particles produced by single electron bunch. Electrons are accelerated to 2.04 GeV and the repetition rate is 10 Hz. These electrons bombard thin disk samples of Cu 1mm, Al 4 mm and W 0.5 mm. Secondly charged particles, proton and deuteron, are produced in the samples by photonuclear reaction. Two dimensional of Δ E-E spectrum for each the samples measured by CTOF shows separation between proton and deuteron perfectly. Thus, proton and deuteron spectrum are obtained from this data. (M. Suetake)

A contact-less method to evaluate the state of charge of nickel batteries using Foucault's eddy currents

Science.gov (United States)

Mancier, V.; Metrot, A.; Willmann, P.

A nickel hydroxide electrode and a commercial battery have been studied by a new and contact-less impedance method, based on Foucault's eddy currents, with the aim of determining their state of charge. Four different current line distributions have been employed and the impedance versus time graphs obtained show a linear variation of this impedance during charge and discharge for all configurations. This new method allows the determination of the state of charge and, furthermore some "artifacts" obvious on these graphs may be useful to detect a deterioration of the studied material.

Monte Carlo simulation and equation of state for flexible charged hard-sphere chain fluids: Polyampholyte and polyelectrolyte solutions

International Nuclear Information System (INIS)

Jiang, Hao; Adidharma, Hertanto

2014-01-01

The thermodynamic modeling of flexible charged hard-sphere chains representing polyampholyte or polyelectrolyte molecules in solution is considered. The excess Helmholtz energy and osmotic coefficients of solutions containing short polyampholyte and the osmotic coefficients of solutions containing short polyelectrolytes are determined by performing canonical and isobaric-isothermal Monte Carlo simulations. A new equation of state based on the thermodynamic perturbation theory is also proposed for flexible charged hard-sphere chains. For the modeling of such chains, the use of solely the structure information of monomer fluid for calculating the chain contribution is found to be insufficient and more detailed structure information must therefore be considered. Two approaches, i.e., the dimer and dimer-monomer approaches, are explored to obtain the contribution of the chain formation to the Helmholtz energy. By comparing with the simulation results, the equation of state with either the dimer or dimer-monomer approach accurately predicts the excess Helmholtz energy and osmotic coefficients of polyampholyte and polyelectrolyte solutions except at very low density. It also well captures the effect of temperature on the thermodynamic properties of these solutions

An Optimal Domestic Electric Vehicle Charging Strategy for Reducing Network Transmission Loss While Taking Seasonal Factors into Consideration

Directory of Open Access Journals (Sweden)

Yuancheng Zhao

2018-01-01

Full Text Available With the rapid growth of domestic electric vehicle charging loads, the peak-valley gap and power fluctuation rate of power systems increase sharply, which can lead to the increase of network losses and energy efficiency reduction. This paper tries to regulate network loads and reduce power system transmission loss by optimizing domestic electric vehicle charging loads. In this paper, a domestic electric vehicle charging loads model is first developed by analyzing the key factors that can affect users’ charging behavior. Subsequently, the Monte Carlo method is proposed to simulate the power consumption of a cluster of domestic electric vehicles. After that, an optimal electric vehicle charging strategy based on the 0-1 integer programming is presented to regulate network daily loads. Finally, by taking the IEEE33 distributed power system as an example, this paper tries to verify the efficacy of the proposed optimal charging strategy and the necessity for considering seasonal factors when scheduling electric vehicle charging loads. Simulation results show that the proposed 0-1 integer programming method does have good performance in reducing the network peak-valley gap, voltage fluctuation rate, and transmission loss. Moreover, it has some potential to further reduce power system transmission loss when seasonal factors are considered.

Quantum–classical simulations of the electronic stopping force and charge on slow heavy channelling ions in metals

International Nuclear Information System (INIS)

Race, C P; Mason, D R; Foo, M H F; Foulkes, W M C; Sutton, A P; Horsfield, A P

2013-01-01

By simulating the passage of heavy ions along open channels in a model crystalline metal using semi-classical Ehrenfest dynamics we directly investigate the nature of non-adiabatic electronic effects. Our time-dependent tight-binding approach incorporates both an explicit quantum mechanical electronic system and an explicit representation of a set of classical ions. The coupled evolution of the ions and electrons allows us to explore phenomena that lie beyond the approximations made in classical molecular dynamics simulations and in theories of electronic stopping. We report a velocity-dependent charge-localization phenomenon not predicted by previous theoretical treatments of channelling. This charge localization can be attributed to the excitation of electrons into defect states highly localized on the channelling ion. These modes of excitation only become active when the frequency at which the channelling ion moves from interstitial point to equivalent interstitial point matches the frequency corresponding to excitations from the Fermi level into the localized states. Examining the stopping force exerted on the channelling ion by the electronic system, we find broad agreement with theories of slow ion stopping (a stopping force proportional to velocity) for a low velocity channelling ion (up to about 0.5 nm fs −1 from our calculations), and a reduction in stopping power attributable to the charge localization effect at higher velocities. By exploiting the simplicity of our electronic structure model we are able to illuminate the physics behind the excitation processes that we observe and present an intuitive picture of electronic stopping from a real-space, chemical perspective. (paper)

Modelling of an advanced charging system for electric vehicles

Science.gov (United States)

Hassan Jaafar, Abdul; Rahman, Ataur; Mohiuddin, A. K. M.; Rashid, Mahbubur

2017-03-01

Climate Change is recognized as one of the greatest environmental problem facing the World today and it has long been appreciated by governments that reducing the impact of the internal combustion (IC) engine powered motor vehicle has an important part to play in addressing this threat. In Malaysia, IC engine powered motor vehicle accounts almost 90% of the national greenhouse gas (GHG) emissions. The need to reduce the emission is paramount, as Malaysia has pledged to reduce 40% of CO2 intensity by 2020 from 2005 level by 25% of improvement in average fuel consumption. The introduction of electric vehicles (EVs) is one of the initiatives. However in terms of percentage, the electric vehicles have not been commonly used by people nowadays and one of the reasons is lack in charging infrastructure especially when cars are on the road. The aim of this study is to simulate and model an advanced charging system for the charging infrastructure of EVs/HEVs all over the nation with slow charging mode with charging current 25 A, medium charging mode with charging current 50 A and fast charging mode with charging current 100 A. The slow charging mode is proposed for residence, medium charging mode for office parking lots, and fast charging mode is called fast charging track for charging station on road. With three modes charger topology, consumers could choose a suitable mode for their car based on their need. The simulation and experiment of advanced charging system has been conducted on a scale down battery pack of nominal voltage of 3.75 V and capacity of 1020 mAh. Result shows that the battery could be charging less than 1 hour with fast charging mode. However, due to limitation of Tenaga Nasional Berhad (TNB) power grid, the maximum 50 A current is considered to be the optimized passive mode for the EV’s battery charging system. The developed advanced charger prototype performance has been compared with the simulation result and conventional charger performance, the

DFTB3: Extension of the self-consistent-charge density-functional tight-binding method (SCC-DFTB).

Science.gov (United States)

Gaus, Michael; Cui, Qiang; Elstner, Marcus

2012-04-10

The self-consistent-charge density-functional tight-binding method (SCC-DFTB) is an approximate quantum chemical method derived from density functional theory (DFT) based on a second-order expansion of the DFT total energy around a reference density. In the present study we combine earlier extensions and improve them consistently with, first, an improved Coulomb interaction between atomic partial charges, and second, the complete third-order expansion of the DFT total energy. These modifications lead us to the next generation of the DFTB methodology called DFTB3, which substantially improves the description of charged systems containing elements C, H, N, O, and P, especially regarding hydrogen binding energies and proton affinities. As a result, DFTB3 is particularly applicable to biomolecular systems. Remaining challenges and possible solutions are also briefly discussed.

Simulation of charge transport in organic semiconductors: A time-dependent multiscale method based on nonequilibrium Green's functions

DEFF Research Database (Denmark)

Leitherer, Susanne; Jager, C. M.; Krause, A.

2017-01-01

In weakly interacting organic semiconductors, static disorder and dynamic disorder often have an important impact on transport properties. Describing charge transport in these systems requires an approach that correctly takes structural and electronic fluctuations into account. Here, we present...... are used in organic field-effect transistors....

Real-time hybrid simulation using the convolution integral method

International Nuclear Information System (INIS)

Kim, Sung Jig; Christenson, Richard E; Wojtkiewicz, Steven F; Johnson, Erik A

2011-01-01

This paper proposes a real-time hybrid simulation method that will allow complex systems to be tested within the hybrid test framework by employing the convolution integral (CI) method. The proposed CI method is potentially transformative for real-time hybrid simulation. The CI method can allow real-time hybrid simulation to be conducted regardless of the size and complexity of the numerical model and for numerical stability to be ensured in the presence of high frequency responses in the simulation. This paper presents the general theory behind the proposed CI method and provides experimental verification of the proposed method by comparing the CI method to the current integration time-stepping (ITS) method. Real-time hybrid simulation is conducted in the Advanced Hazard Mitigation Laboratory at the University of Connecticut. A seismically excited two-story shear frame building with a magneto-rheological (MR) fluid damper is selected as the test structure to experimentally validate the proposed method. The building structure is numerically modeled and simulated, while the MR damper is physically tested. Real-time hybrid simulation using the proposed CI method is shown to provide accurate results

Conformation and elasticity of a charged polymer chain bridging two nanoparticles

International Nuclear Information System (INIS)

Nowicki, W.; Nowicka, G.

2013-01-01

A complex composed of a charged flexible polymer chain irreversibly attached with its ends to surfaces of two nanoparticles was investigated using the Metropolis Monte Carlo method on a simple cubic lattice. The simulations were performed in the presence of explicit ions. The bridging chain and the nanoparticles bearing the same and the opposite sign charges were considered. Changes in the free energy of the complex upon its stretching or compression, together with the magnitude of the elastic force, were examined. The relative roles of energetic and entropic effects in determining the properties of the complex were identified. Also, the adsorption of charged monomers on the opposite-sign charged nanoparticles and its influence on the examined quantities was studied. Moreover, a simple semi-analytical approach to the thermodynamics of the polymer bridge was derived

Phase modulation spectroscopy of space-charge wave resonances in Bi12SiO20

DEFF Research Database (Denmark)

Vasnetsov, M.; Buchhave, Preben; Lyuksyutov, S.

1997-01-01

A new experimental method for the study of resonance effects and space-charge wave excitation in photorefractive Bi12SiO20 crystals by using a combination of frequency detuning and phase modulation technique has been developed. The accuracy of the method allows a detection of resonance peaks...... of diffraction efficiency within 0.5 Hz. Numerical simulations of the nonlinear differential equations describing the behaviour of the space-charge waves in photorefractive crystals have been performed and found to be in a good agreement with experiment. We have measured the photocurrent through the crystal...

A Method for Estimating the Probability of Floating Gate Prompt Charge Loss in a Radiation Environment

Science.gov (United States)

Edmonds, L. D.

2016-01-01

Since advancing technology has been producing smaller structures in electronic circuits, the floating gates in modern flash memories are becoming susceptible to prompt charge loss from ionizing radiation environments found in space. A method for estimating the risk of a charge-loss event is given.

Risk management of smart grids based on managed charging of PHEVs and vehicle-to-grid strategy using Monte Carlo simulation

International Nuclear Information System (INIS)

Hashemi-Dezaki, Hamed; Hamzeh, Mohsen; Askarian-Abyaneh, Hossein; Haeri-Khiavi, Homayoun

2015-01-01

Highlights: • Actual distribution system is used to analyze the proposed methodology. • A novel charging management method for PHEVs has been introduced. • The well-being criteria have been provided in addition to reliability indices. • The uncertainty of results is analyzed in addition to expected average results. • System effects due to charging and penetration level of PHEVs are analyzed. - Abstract: The unmanaged charging of plug-in-hybrid-electric vehicles (PHEVs) may adversely affect electric grid reliability because a large amount of additional electrical energy is required to charge the PHEVs. In this paper, a comprehensive method to evaluate the system reliability concerning the stochastic modeling of PHEVs, renewable resources, availability of devices, etc. is proposed. In addition, a novel risk management method in order to reduce the negative PHEVs effects is introduced. This method, which consists of managed charging and vehicle-to-grid (V2G) scenarios, can be practically implemented in smart grids because the bidirectional-power-conversion technologies and two-way of both the power and data are applicable. The introduced method was applied to a real 20 kV network of the Hormozgan Regional Electric Company (HREC) of Iran which is considered as a pilot system for upgrading to smart distribution grid. The results showed that the smart grid’s adequacy was jeopardized by using the PHEVs without any managed charging schedule. The sensitivity analyses results illustrated that by using the risk management scenarios, not only did the PHEVs not compromise the system reliability, but also in the V2G scenario acted as storage systems and improved the well-being criteria and adequacy indices. The comparison between the results based on the proposed method and the other conventional approaches in addition to study of various parameters uncertainty emphasized the advantages of the proposed method

Modeling and simulation performance of photovoltaic system integration battery and supercapacitor paralellization of MPPT prototipe for solar vehicle

Science.gov (United States)

Ajiatmo, Dwi; Robandi, Imam

2017-03-01

This paper proposes a control scheme photovoltaic, battery and super capacitor connected in parallel for use in a solar vehicle. Based on the features of battery charging, the control scheme consists of three modes, namely, mode dynamic irradian, constant load mode and constant voltage charging mode. The shift of the three modes can be realized by controlling the duty cycle of the mosffet Boost converter system. Meanwhile, the high voltage which is more suitable for the application can be obtained. Compared with normal charging method with parallel connected current limiting detention and charging method with dynamic irradian mode, constant load mode and constant voltage charging mode, the control scheme is proposed to shorten the charging time and increase the use of power generated from the PV array. From the simulation results and analysis conducted to determine the performance of the system in state transient and steady-state by using simulation software Matlab / Simulink. Response simulation results demonstrate the suitability of the proposed concept.

Thermal Simulations, Open Boundary Conditions and Switches

Science.gov (United States)

Burnier, Yannis; Florio, Adrien; Kaczmarek, Olaf; Mazur, Lukas

2018-03-01

SU(N) gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

Thermal Simulations, Open Boundary Conditions and Switches

Directory of Open Access Journals (Sweden)

Burnier Yannis

2018-01-01

Full Text Available SU(N gauge theories on compact spaces have a non-trivial vacuum structure characterized by a countable set of topological sectors and their topological charge. In lattice simulations, every topological sector needs to be explored a number of times which reflects its weight in the path integral. Current lattice simulations are impeded by the so-called freezing of the topological charge problem. As the continuum is approached, energy barriers between topological sectors become well defined and the simulations get trapped in a given sector. A possible way out was introduced by Lüscher and Schaefer using open boundary condition in the time extent. However, this solution cannot be used for thermal simulations, where the time direction is required to be periodic. In this proceedings, we present results obtained using open boundary conditions in space, at non-zero temperature. With these conditions, the topological charge is not quantized and the topological barriers are lifted. A downside of this method are the strong finite-size effects introduced by the boundary conditions. We also present some exploratory results which show how these conditions could be used on an algorithmic level to reshuffle the system and generate periodic configurations with non-zero topological charge.

Charge gradient microscopy

Science.gov (United States)

Roelofs, Andreas; Hong, Seungbum

2018-02-06

A method for rapid imaging of a material specimen includes positioning a tip to contact the material specimen, and applying a force to a surface of the material specimen via the tip. In addition, the method includes moving the tip across the surface of the material specimen while removing electrical charge therefrom, generating a signal produced by contact between the tip and the surface, and detecting, based on the data, the removed electrical charge induced through the tip during movement of the tip across the surface. The method further includes measuring the detected electrical charge.

Strange and charge symmetry violating electromagnetic form factors of the nucleon

International Nuclear Information System (INIS)

Shanahan, P.E.

2016-01-01

We summarise recent work based on lattice QCD simulations of the electromagnetic form factors of the octet baryons from the CSSM/QCDSF/UKQCD collaborations. After an analysis of the simulation results using techniques to approach the infinite volume limit and the physical pseudoscalar masses at non-zero momentum transfer, the extrapolated proton and neutron form factors are found to be in excellent agreement with those extracted from experiment. Given the success of these calculations, we describe how the strange electromagnetic form factors may be estimated from these results under the same assumption of charge symmetry used in experimental determinations of those quantities. Motivated by the necessity of that assumption, we explore a method for determining the size of charge symmetry breaking effects using the same lattice results. (author)

Computation of Ion Charge State Distributions After Inner-shell Ionization in Ne, Ar and Kr Atoms Using Monte Carlo Simulation

International Nuclear Information System (INIS)

Ahmed Ghoneim, Adel Aly; Ghoneim, Adel A.; Al-Zanki, Jasem M.; El-Essawy, Ashraf H.

2009-01-01

Atomic reorganization starts by filling the initially inner-shell vacancy by a radiative transition (x-ray) or by a non-radiative transition (Auger and Coster-Kronig processes). New vacancies created during this atomic reorganization may in turn be filled by further radiative and non-radiative transitions until all vacancies reach the outermost occupied shells. The production of inner-shell vacancy in an atom and the de-excitation decays through radiative and non-radiative transitions may result in a change of the atomic potential; this change leads to the emission of an additional electron in the continuum (electron shake-off processes). In the present work, the ion charge state distributions (CSD) and mean atomic charge ions produced from inner shell vacancy de-excitation decay are calculated for neutral Ne , Ar and Kr atoms. The calculations are carried out using Monte Carlo (MC) technique to simulate the cascade development after primary vacancy production. The radiative and non-radiative transitions for each vacancy are calculated in the simulation. In addition, the change of transition energies and transition rates due to multi vacancies produced in the atomic configurations through the cascade development are considered in the present work. It is found that considering the electron shake off process and closing of non-allowed non-radiative channels improves the results of both charge state distributions (CSD) and average charge state. To check the validity of the present calculations, the results obtained are compared with available theoretical and experimental data. The present results are found to agree well with the available theoretical and experimental values. (author)

Economic Viability Study of an On-Road Wireless Charging System with a Generic Driving Range Estimation Method

Directory of Open Access Journals (Sweden)

Aditya Shekhar

2016-01-01

Full Text Available The economic viability of on-road wireless charging of electric vehicles (EVs strongly depends on the choice of the inductive power transfer (IPT system configuration (static or dynamic charging, charging power level and the percentage of road coverage of dynamic charging. In this paper, a case study is carried out to determine the expected investment costs involved in installing the on-road charging infrastructure for an electric bus fleet. Firstly, a generic methodology is described to determine the driving range of any EV (including electric buses with any gross mass and frontal area. A dynamic power consumption model is developed for the EV, taking into account the rolling friction, acceleration, deceleration, aerodynamic drag, regenerative braking and Li-ion battery behavior. Based on the simulation results, the linear dependence of the battery state of charge (SoC on the distance traveled is proven. Further, the impact of different IPT system parameters on driving range is incorporated. Economic implications of a combination of different IPT system parameters are explored for achieving the required driving range of 400 km, and the cost optimized solution is presented for the case study of an electric bus fleet. It is shown that the choice of charging power level and road coverage are interrelated in the economic context. The economic viability of reducing the capacity of the on-board battery as a trade-off between higher transport efficiency and larger on-road charging infrastructure is presented. Finally, important considerations, like the number of average running buses, scheduled stoppage time and on-board battery size, that make on-road charging an attractive option are explored. The cost break-up of various system components of the on-road charging scheme is estimated, and the final project cost and parameters are summarized. The specific cost of the wireless on-road charging system is found to be more expensive than the conventional

Charge carrier mobility in thin films of organic semiconductors by the gated van der Pauw method

Science.gov (United States)

Rolin, Cedric; Kang, Enpu; Lee, Jeong-Hwan; Borghs, Gustaaf; Heremans, Paul; Genoe, Jan

2017-01-01

Thin film transistors based on high-mobility organic semiconductors are prone to contact problems that complicate the interpretation of their electrical characteristics and the extraction of important material parameters such as the charge carrier mobility. Here we report on the gated van der Pauw method for the simple and accurate determination of the electrical characteristics of thin semiconducting films, independently from contact effects. We test our method on thin films of seven high-mobility organic semiconductors of both polarities: device fabrication is fully compatible with common transistor process flows and device measurements deliver consistent and precise values for the charge carrier mobility and threshold voltage in the high-charge carrier density regime that is representative of transistor operation. The gated van der Pauw method is broadly applicable to thin films of semiconductors and enables a simple and clean parameter extraction independent from contact effects. PMID:28397852

Voltage Scheduling Droop Control for State-of-Charge Balance of Distributed Energy Storage in DC Microgrids

DEFF Research Database (Denmark)

Li, Chendan; Dragicevic, Tomislav; Aldana, Nelson Leonardo Diaz

2014-01-01

Due to higher power quality, lower conversion loss, and more DC loads, there has been an increasing awareness on DC microgrid. Previous emphasis has been on equal power sharing among different units in the DC microgrid, while overlooking the coordination of the energy storage units to maintain...... the State-of-Charge balance. In this paper, a new droop method based on voltage scheduling for State-of-Charge balance is proposed to keep the SoC balance for the energy storage units. The proposed method has the advantage of avoiding the stability problem existed in traditional methods based on droop gain...... scheduling. Simulation experiment is taken in Matlab on a DC microgrid with two distributed energy storage units. The simulation results show that the proposed method has successfully achieved SoC balance during the load changes while maintaining the DC bus voltage within the allowable range....

Electrohydrodynamics of drops in strong electric fields: Simulations and theory

Science.gov (United States)

Saintillan, David; Das, Debasish

2016-11-01

Weakly conducting dielectric liquid drops suspended in another dielectric liquid exhibit a wide range of dynamical behaviors when subject to an applied uniform electric field contingent on field strength and material properties. These phenomena are best described by the much celebrated Maylor-Taylor leaky dielectric model that hypothesizes charge accumulation on the drop-fluid interface and prescribes a balance between charge relaxation, the jump in Ohmic currents and charge convection by the interfacial fluid flow. Most previous numerical simulations based on this model have either neglected interfacial charge convection or restricted themselves to axisymmetric drops. In this work, we develop a three-dimensional boundary element method for the complete leaky dielectric model to systematically study the deformation and dynamics of liquid drops in electric fields. The inclusion of charge convection in our simulation permits us to investigate drops in the Quincke regime, in which experiments have demonstrated symmetry-breaking bifurcations leading to steady electrorotation. Our simulation results show excellent agreement with existing experimental data and small deformation theories. ACSPRF Grant 53240-ND9.

Monte Carlo Methods in ICF

Science.gov (United States)

Zimmerman, George B.

Monte Carlo methods appropriate to simulate the transport of x-rays, neutrons, ions and electrons in Inertial Confinement Fusion targets are described and analyzed. The Implicit Monte Carlo method of x-ray transport handles symmetry within indirect drive ICF hohlraums well, but can be improved 50X in efficiency by angular biasing the x-rays towards the fuel capsule. Accurate simulation of thermonuclear burn and burn diagnostics involves detailed particle source spectra, charged particle ranges, inflight reaction kinematics, corrections for bulk and thermal Doppler effects and variance reduction to obtain adequate statistics for rare events. It is found that the effects of angular Coulomb scattering must be included in models of charged particle transport through heterogeneous materials.

Monte Carlo methods in ICF

International Nuclear Information System (INIS)

Zimmerman, George B.

1997-01-01

Monte Carlo methods appropriate to simulate the transport of x-rays, neutrons, ions and electrons in Inertial Confinement Fusion targets are described and analyzed. The Implicit Monte Carlo method of x-ray transport handles symmetry within indirect drive ICF hohlraums well, but can be improved 50X in efficiency by angular biasing the x-rays towards the fuel capsule. Accurate simulation of thermonuclear burn and burn diagnostics involves detailed particle source spectra, charged particle ranges, inflight reaction kinematics, corrections for bulk and thermal Doppler effects and variance reduction to obtain adequate statistics for rare events. It is found that the effects of angular Coulomb scattering must be included in models of charged particle transport through heterogeneous materials

2-d Simulations of Test Methods

DEFF Research Database (Denmark)

Thrane, Lars Nyholm

2004-01-01

One of the main obstacles for the further development of self-compacting concrete is to relate the fresh concrete properties to the form filling ability. Therefore, simulation of the form filling ability will provide a powerful tool in obtaining this goal. In this paper, a continuum mechanical...... approach is presented by showing initial results from 2-d simulations of the empirical test methods slump flow and L-box. This method assumes a homogeneous material, which is expected to correspond to particle suspensions e.g. concrete, when it remains stable. The simulations have been carried out when...... using both a Newton and Bingham model for characterisation of the rheological properties of the concrete. From the results, it is expected that both the slump flow and L-box can be simulated quite accurately when the model is extended to 3-d and the concrete is characterised according to the Bingham...

The quasilocalized charge approximation

International Nuclear Information System (INIS)

Kalman, G J; Golden, K I; Donko, Z; Hartmann, P

2005-01-01

The quasilocalized charge approximation (QLCA) has been used for some time as a formalism for the calculation of the dielectric response and for determining the collective mode dispersion in strongly coupled Coulomb and Yukawa liquids. The approach is based on a microscopic model in which the charges are quasilocalized on a short-time scale in local potential fluctuations. We review the conceptual basis and theoretical structure of the QLC approach and together with recent results from molecular dynamics simulations that corroborate and quantify the theoretical concepts. We also summarize the major applications of the QLCA to various physical systems, combined with the corresponding results of the molecular dynamics simulations and point out the general agreement and instances of disagreement between the two

Simulations of free-solution electrophoresis of polyelectrolytes with a finite Debye length using the Debye-Hückel approximation.

Science.gov (United States)

Hickey, Owen A; Shendruk, Tyler N; Harden, James L; Slater, Gary W

2012-08-31

We introduce a mesoscale simulation method based on multiparticle collision dynamics (MPCD) for the electrohydrodynamics of polyelectrolytes with finite Debye lengths. By applying the Debye-Hückel approximation to assign an effective charge to MPCD particles near charged monomers, our simulations are able to reproduce the rapid rise in the electrophoretic mobility with respect to the degree of polymerization for the shortest polymer lengths followed by a small decrease for longer polymers due to charge condensation. Moreover, these simulations demonstrate the importance of a finite Debye length in accurately determining the mobility of uniformly charged polyelectrolytes and net neutral polyampholytes.

Electrostatic charging and control of droplets in microfluidic devices.

Science.gov (United States)

Zhou, Hongbo; Yao, Shuhuai

2013-03-07

Precharged droplets can facilitate manipulation and control of low-volume liquids in droplet-based microfluidics. In this paper, we demonstrate non-contact electrostatic charging of droplets by polarizing a neutral droplet and splitting it into two oppositely charged daughter droplets in a T-junction microchannel. We performed numerical simulation to analyze the non-contact charging process and proposed a new design with a notch at the T-junction in aid of droplet splitting for more efficient charging. We experimentally characterized the induced charge in droplets in microfabricated devices. The experimental results agreed well with the simulation. Finally, we demonstrated highly effective droplet manipulation in a path selection unit appending to the droplet charging. We expect our work could enable precision manipulation of droplets for more complex liquid handling in microfluidics and promote electric-force based manipulation in 'lab-on-a-chip' systems.

Explicit K-symplectic algorithms for charged particle dynamics

International Nuclear Information System (INIS)

He, Yang; Zhou, Zhaoqi; Sun, Yajuan; Liu, Jian; Qin, Hong

2017-01-01

We study the Lorentz force equation of charged particle dynamics by considering its K-symplectic structure. As the Hamiltonian of the system can be decomposed as four parts, we are able to construct the numerical methods that preserve the K-symplectic structure based on Hamiltonian splitting technique. The newly derived numerical methods are explicit, and are shown in numerical experiments to be stable over long-term simulation. The error convergency as well as the long term energy conservation of the numerical solutions is also analyzed by means of the Darboux transformation.

Explicit K-symplectic algorithms for charged particle dynamics

Energy Technology Data Exchange (ETDEWEB)

He, Yang [School of Mathematics and Physics, University of Science and Technology Beijing, Beijing 100083 (China); Zhou, Zhaoqi [LSEC, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, P.O. Box 2719, Beijing 100190 (China); Sun, Yajuan, E-mail: sunyj@lsec.cc.ac.cn [LSEC, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, P.O. Box 2719, Beijing 100190 (China); University of Chinese Academy of Sciences, Beijing 100049 (China); Liu, Jian [Department of Modern Physics and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China); Key Laboratory of Geospace Environment, CAS, Hefei, Anhui 230026 (China); Qin, Hong [Department of Modern Physics and School of Nuclear Science and Technology, University of Science and Technology of China, Hefei, Anhui 230026 (China); Plasma Physics Laboratory, Princeton University, Princeton, NJ 08543 (United States)

2017-02-12

We study the Lorentz force equation of charged particle dynamics by considering its K-symplectic structure. As the Hamiltonian of the system can be decomposed as four parts, we are able to construct the numerical methods that preserve the K-symplectic structure based on Hamiltonian splitting technique. The newly derived numerical methods are explicit, and are shown in numerical experiments to be stable over long-term simulation. The error convergency as well as the long term energy conservation of the numerical solutions is also analyzed by means of the Darboux transformation.

Influence of plug-in hybrid electric vehicle charging strategies on charging and battery degradation costs

International Nuclear Information System (INIS)

Lunz, Benedikt; Yan, Zexiong; Gerschler, Jochen Bernhard; Sauer, Dirk Uwe

2012-01-01

The profitability of plug-in hybrid electric vehicles (PHEVs) is significantly influenced by battery aging and electricity costs. Therefore a simulation model for PHEVs in the distribution grid is presented which allows to compare the influence of different charging strategies on these costs. The simulation is based on real-world driving behavior and European Energy Exchange (EEX) intraday prices for obtaining representative results. The analysis of comprehensive lithium-ion battery aging tests performed within this study shows that especially high battery states of charge (SOCs) decrease battery lifetime, whereas the cycling of batteries at medium SOCs only has a minor contribution to aging. Charging strategies that take into account the previously mentioned effects are introduced, and the SOC distributions and cycle loads of the vehicle battery are investigated. It can be shown that appropriate charging strategies significantly increase battery lifetime and reduce charging costs at the same time. Possible savings due to lifetime extension of the vehicle battery are approximately two times higher than revenues due to energy trading. The findings of this work indicate that car manufacturers and energy/mobility providers have to make efforts for developing intelligent charging strategies to reduce mobility costs and thus foster the introduction of electric mobility. - Highlights: ► Modeling of PHEVs based on real-world driving behavior and electricity prices. ► Consideration of battery degradation for the calculation of mobility costs. ► Smart charging decreases battery degradation and electricity costs simultaneously. ► Reduction of battery degradation costs is around two times higher than reduction of electricity costs.

The effects of electromagnetic space-charge fields in RF photocathode guns

International Nuclear Information System (INIS)

Park, C.S.; Hess, M.

2010-01-01

In high-brightness rf photocathode guns, the effects of space-charge are important for electron bunches with high bunch charge. In an effort to accurately simulate the effects of these space-charge fields without the presence of numerical grid dispersion, a Green's function based code called IRPSS (Indiana Rf Photocathode Source Simulator) was developed. In this paper, we show the results of numerical simulations of the Argonne Wakefield Accelerator photocathode gun using IRPSS, and compare them with the results of an electrostatic Green's function version of IRPSS.

Combined Solar Charging Stations and Energy Storage Units Allocation for Electric Vehicles by Considering Uncertainties

DEFF Research Database (Denmark)

Yousefi Khanghah, Babak; Anvari-Moghaddam, Amjad; Guerrero, Josep M.

2017-01-01

Electric vehicles (EVs) are becoming a key feature of smart grids. EVs will be embedded in the smart grids as a mobile load-storage with probabilistic behavior. In order to manage EVs as flexible loads, charging stations (CSs) have essential roles. In this paper, a new method for optimal sitting...... are considered based on time-of-use (TOU) demand response programs (DRPs). In order to solve the optimization problem considering uncertainty of load growth, electricity price, initial state of charge of batteries and solar power generation, genetic algorithm method using Monte-Carlo simulation is used...

Molecular Dynamics Simulations of Collisional Cooling and Ordering of Multiply Charged Ions in a Penning Trap

International Nuclear Information System (INIS)

Holder, J.P.; Church, D.A.; Gruber, L.; DeWitt, H.E.; Beck, B.R.; Schneider, D.

2000-01-01

Molecular dynamics simulations are used to help design new experiments by modeling the cooling of small numbers of trapped multiply charged ions by Coulomb interactions with laser-cooled Be + ions. A Verlet algorithm is used to integrate the equations of motion of two species of point ions interacting in an ideal Penning trap. We use a time step short enough to follow the cyclotron motion of the ions. Axial and radial temperatures for each species are saved periodically. Direct heating and cooling of each species in the simulation can be performed by periodically rescaling velocities. Of interest are Fe 11+ due to a EUV-optical double resonance for imaging and manipulating the ions, and Ca 14+ since a ground state fine structure transition has a convenient wavelength in the tunable laser range

Charge transfer between O6+ and atomic hydrogen

Science.gov (United States)

Wu, Y.; Stancil, P. C.; Liebermann, H. P.; Buenker, R. J.; Schultz, D. R.; Hui, Y.

2011-05-01

The charge exchange process has been found to play a dominant role in the production of X-rays and/or EUV photons observed in cometary and planetary atmospheres and from the heliosphere. Charge transfer cross sections, especially state-selective cross sections, are necessary parameters in simulations of X-ray emission. In the present work, charge transfer due to collisions of ground state O6+(1s2 1 S) with atomic hydrogen has been investigated theoretically using the quantum-mechanical molecular-orbital close-coupling method (QMOCC). The multi-reference single- and double-excitation configuration interaction approach (MRDCI) has been applied to compute the adiabatic potential and nonadiabatic couplings, and the atomic basis sets used have been optimized with the method proposed previously to obtain precise potential data. Total and state-selective cross sections are calculated for energies between 10 meV/u and 10 keV/u. The QMOCC results are compared to available experimental and theoretical data as well as to new atomic-orbital close-coupling (AOCC) and classical trajectory Monte Carlo (CTMC) calculations. A recommended set of cross sections, based on the MOCC, AOCC, and CTMC calculations, is deduced which should aid in X-ray modeling studies.