WorldWideScience

Sample records for non-polarizable charge models

  1. Assessing the high frequency behavior of non-polarizable electrodes for spectral induced polarization measurements

    Science.gov (United States)

    Abdulsamad, Feras; Florsch, Nicolas; Schmutz, Myriam; Camerlynck, Christian

    2016-12-01

    During the last decades, the usage of spectral induced polarization (SIP) measurements in hydrogeology and detecting environmental problems has been extensively increased. However, the physical mechanisms which are responsible for the induced polarization response over the usual frequency range (typically 1 mHz to 10-20 kHz) require better understanding. The phase shift observed at high frequencies is sometimes attributed to the so-called Maxwell-Wagner polarization which takes place when charges cross an interface. However, SIP measurements of tap water show a phase shift at frequencies higher than 1 kHz, where no Maxwell-Wagner polarization may occur. In this paper, we enlighten the possible origin of this phase shift and deduce its likely relationship with the types of the measuring electrodes. SIP Laboratory measurements of tap water using different types of measuring electrodes (polarizable and non-polarizable electrodes) are carried out to detect the origin of the phase shift at high frequencies and the influence of the measuring electrodes types on the observed complex resistivity. Sodium chloride is used to change the conductivity of the medium in order to quantify the solution conductivity role. The results of these measurements are clearly showing the impact of the measuring electrodes type on the measured phase spectrum while the influence on the amplitude spectrum is negligible. The phenomenon appearing on the phase spectrum at high frequency (> 1 kHz) whatever the electrode type is, the phase shows an increase compared to the theoretical response, and the discrepancy (at least in absolute value) increases with frequency, but it is less severe when medium conductivity is larger. Additionally, the frequency corner is shifted upward in frequency. The dependence of this phenomenon on the conductivity and the measuring electrodes type (electrode-electrolyte interface) seems to be due to some dielectric effects (as an electrical double layer of small

  2. The influence of polarizability and charge transfer on specific ion effects in the dynamics of aqueous salt solutions

    Science.gov (United States)

    Nguyen, Mary; Rick, Steven W.

    2018-06-01

    The diffusion rates for water molecules in salt solutions depend on the identity of the ions, as well as their concentration. Among the alkali metal ions, cesium and potassium increase and sodium strongly decreases the diffusion constant of water. The origin of the difference can be understood by examining the simulation results using different potential models. In this work, aqueous solutions of salts are simulated with a variety of models. Commonly used non-polarizable models, which otherwise reproduce many experimental properties, do not capture the trend in the diffusion constant, while models which include polarization and/or charge transfer interactions do. For the non-polarizable models, the diffusion constant decreases too strongly with salt concentration. The changes in the water diffusion constant with increasing salt concentration match the diffusion constant of the ion. The ion diffusion constant is dependent on the residence time for water in the ion solvation shell. The non-polarizable models over-estimate the residence time, relative to the translational diffusion constant and so tend to under-estimate the ion and water diffusion constants.

  3. Considerations on sample holder design and custom-made non-polarizable electrodes for Spectral Induced Polarization measurements on unsaturated soils

    Science.gov (United States)

    Kaouane, C.; Chouteau, M. C.; Fauchard, C.; Cote, P.

    2014-12-01

    Spectral Induced Polarization (SIP) is a geophysical method sensitive to water content, saturation and grain size distribution. It could be used as an alternative to nuclear probes to assess the compaction of soils in road works. To evaluate the potential of SIP as a practical tool, we designed an experiment for complex conductivity measurements on unsaturated soil samples.Literature presents a large variety of sample holders and designs, each depending on the context. Although we might find some precise description about the sample holder, exact replication is not always possible. Furthermore, the potential measurements are often done using custom-made Ag/AgCl electrodes and very few indications are given on their reliability with time and temperature. Our objective is to perform complex conductivity measurements on soil samples compacted in a PVC cylindrical mould (10 cm-long, 5 cm-diameter) according to geotechnical standards. To expect homogeneous current density, electrical current is transmitted through the sample via chambers filled with agar gel. Agar gel is a good non-polarizable conductor within the frequency range (1 mHz -20kHz). Its electrical properties are slightly known. We measured increasing of agar-agar electrical conductivity in time. We modelled the influence of this variation on the measurement. If the electrodes are located on the sample, it is minimized. Because of the dimensions at stake and the need for simple design, potential electrodes are located outside the sample, hence the gel contributes to the measurements. Since the gel is fairly conductive, we expect to overestimate the sample conductivity. Potential electrodes are non-polarizable Ag/AgCl electrodes. To avoid any leakage, the KCl solution in the electrodes is replaced by saturated KCl-agar gel. These electrodes are low cost and show a low, stable, self-potential (<1mV). In addition, the technique of making electrode can be easily reproduced and storage and maintenance are simple

  4. Potential of mean force for ion pairs in non-aqueous solvents. Comparison of polarizable and non-polarizable MD simulations

    Science.gov (United States)

    Odinokov, A. V.; Leontyev, I. V.; Basilevsky, M. V.; Petrov, N. Ch.

    2011-01-01

    Potentials of mean force (PMF) are calculated for two model ion pairs in two non-aqueous solvents. Standard non-polarizable molecular dynamics simulation (NPMD) and approximate polarizable simulation (PMD) are implemented and compared as tools for monitoring PMF profiles. For the polar solvent (dimethylsulfoxide, DMSO) the PMF generated in terms of the NPMD reproduces fairly well the refined PMD-PMF profile. For the non-polar solvent (benzene) the conventional NPMD computation proves to be deficient. The validity of the correction found in terms of the approximate PMD approach is verified by its comparison with the result of the explicit PMD computation in benzene. The shapes of the PMF profiles in DMSO and in benzene are quite different. In DMSO, owing to dielectric screening, the PMF presents a flat plot with a shallow minimum positioned in the vicinity of the van der Waals contact of the ion pair. For the benzene case, the observed minimum proves to be unexpectedly deep, which manifests the formation of a tightly-binded contact ion pair. This remarkable effect arises owing to the strong electrostatic interaction that is incompletely screened by a non-polar medium. The PMFs for the binary benzene/DMSO mixtures display intermediate behaviour depending on the DMSO content.

  5. Space charge models and PATH

    International Nuclear Information System (INIS)

    Wald, H.B.

    1990-01-01

    The 'PATH' codes are used to design magnetic optics subsystems for neutral particle beam systems. They include a 2-1/2D and three 3-D space charge models, two of which have recently been added. This paper describes the 3-D models and reports on preliminary benchmark studies in which these models are checked for stability as the cloud size is varied and for consistency with each other. Differences between the models are investigated and the computer time requirements for running these models are established

  6. Anisotropic charged generalized polytropic models

    Science.gov (United States)

    Nasim, A.; Azam, M.

    2018-06-01

    In this paper, we found some new anisotropic charged models admitting generalized polytropic equation of state with spherically symmetry. An analytic solution of the Einstein-Maxwell field equations is obtained through the transformation introduced by Durgapal and Banerji (Phys. Rev. D 27:328, 1983). The physical viability of solutions corresponding to polytropic index η =1/2, 2/3, 1, 2 is analyzed graphically. For this, we plot physical quantities such as radial and tangential pressure, anisotropy, speed of sound which demonstrated that these models achieve all the considerable physical conditions required for a relativistic star. Further, it is mentioned here that previous results for anisotropic charged matter with linear, quadratic and polytropic equation of state can be retrieved.

  7. Model improvements to simulate charging in SEM

    Science.gov (United States)

    Arat, K. T.; Klimpel, T.; Hagen, C. W.

    2018-03-01

    Charging of insulators is a complex phenomenon to simulate since the accuracy of the simulations is very sensitive to the interaction of electrons with matter and electric fields. In this study, we report model improvements for a previously developed Monte-Carlo simulator to more accurately simulate samples that charge. The improvements include both modelling of low energy electron scattering and charging of insulators. The new first-principle scattering models provide a more realistic charge distribution cloud in the material, and a better match between non-charging simulations and experimental results. Improvements on charging models mainly focus on redistribution of the charge carriers in the material with an induced conductivity (EBIC) and a breakdown model, leading to a smoother distribution of the charges. Combined with a more accurate tracing of low energy electrons in the electric field, we managed to reproduce the dynamically changing charging contrast due to an induced positive surface potential.

  8. 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.

  9. Modeling Charge Collection in Detector Arrays

    Science.gov (United States)

    Hardage, Donna (Technical Monitor); Pickel, J. C.

    2003-01-01

    A detector array charge collection model has been developed for use as an engineering tool to aid in the design of optical sensor missions for operation in the space radiation environment. This model is an enhancement of the prototype array charge collection model that was developed for the Next Generation Space Telescope (NGST) program. The primary enhancements were accounting for drift-assisted diffusion by Monte Carlo modeling techniques and implementing the modeling approaches in a windows-based code. The modeling is concerned with integrated charge collection within discrete pixels in the focal plane array (FPA), with high fidelity spatial resolution. It is applicable to all detector geometries including monolithc charge coupled devices (CCDs), Active Pixel Sensors (APS) and hybrid FPA geometries based on a detector array bump-bonded to a readout integrated circuit (ROIC).

  10. Electrostatic charge bounds for ball lightning models

    International Nuclear Information System (INIS)

    Stephan, Karl D

    2008-01-01

    Several current theories concerning the nature of ball lightning predict a substantial electrostatic charge in order to account for its observed motion and shape (Turner 1998 Phys. Rep. 293 1; Abrahamson and Dinniss 2000 Nature 403 519). Using charged soap bubbles as a physical model for ball lightning, we show that the magnitude of charge predicted by some of these theories is too high to allow for the types of motion commonly observed in natural ball lightning, which includes horizontal motion above the ground and movement near grounded conductors. Experiments show that at charge levels of only 10-15 nC, 3-cm-diameter soap bubbles tend to be attracted by induced charges to the nearest grounded conductor and rupture. We conclude with a scaling rule that can be used to extrapolate these results to larger objects and surroundings

  11. Droplet-model predictions of charge moments

    International Nuclear Information System (INIS)

    Myers, W.D.

    1982-04-01

    The Droplet Model expressions for calculating various moments of the nuclear charge distribution are given. There are contributions to the moments from the size and shape of the system, from the internal redistribution induced by the Coulomb repulsion, and from the diffuseness of the surface. A case is made for the use of diffuse charge distributions generated by convolution as an alternative to Fermi-functions

  12. Modeling and Analyzing Electric Vehicle Charging

    DEFF Research Database (Denmark)

    Andersen, Ove; Krogh, Benjamin Bjerre; Thomsen, Christian

    2016-01-01

    , such as wind turbines. To both enable a smart grid and the use of renewable energy, it is essential to know when and where an EV is plugged into the power grid and what battery capacity is available. In this paper, we present a generic spatio-temporal data-warehouse model for storing detailed information...... on all aspects of charging EVs, including integration with the electricity prices from a spot market. The proposed data warehouse is fully implemented and currently contains 2.5 years of charging data from 176 EVs. We describe the date warehouse model and the implementation including complex operations...

  13. Problems in Modelling Charge Output Accelerometers

    Directory of Open Access Journals (Sweden)

    Tomczyk Krzysztof

    2016-12-01

    Full Text Available The paper presents major issues associated with the problem of modelling change output accelerometers. The presented solutions are based on the weighted least squares (WLS method using transformation of the complex frequency response of the sensors. The main assumptions of the WLS method and a mathematical model of charge output accelerometers are presented in first two sections of this paper. In the next sections applying the WLS method to estimation of the accelerometer model parameters is discussed and the associated uncertainties are determined. Finally, the results of modelling a PCB357B73 charge output accelerometer are analysed in the last section of this paper. All calculations were executed using the MathCad software program. The main stages of these calculations are presented in Appendices A−E.

  14. Quantum modeling of ultrafast photoinduced charge separation

    Science.gov (United States)

    Rozzi, Carlo Andrea; Troiani, Filippo; Tavernelli, Ivano

    2018-01-01

    Phenomena involving electron transfer are ubiquitous in nature, photosynthesis and enzymes or protein activity being prominent examples. Their deep understanding thus represents a mandatory scientific goal. Moreover, controlling the separation of photogenerated charges is a crucial prerequisite in many applicative contexts, including quantum electronics, photo-electrochemical water splitting, photocatalytic dye degradation, and energy conversion. In particular, photoinduced charge separation is the pivotal step driving the storage of sun light into electrical or chemical energy. If properly mastered, these processes may also allow us to achieve a better command of information storage at the nanoscale, as required for the development of molecular electronics, optical switching, or quantum technologies, amongst others. In this Topical Review we survey recent progress in the understanding of ultrafast charge separation from photoexcited states. We report the state-of-the-art of the observation and theoretical description of charge separation phenomena in the ultrafast regime mainly focusing on molecular- and nano-sized solar energy conversion systems. In particular, we examine different proposed mechanisms driving ultrafast charge dynamics, with particular regard to the role of quantum coherence and electron-nuclear coupling, and link experimental observations to theoretical approaches based either on model Hamiltonians or on first principles simulations.

  15. Modelling charge storage in Euclid CCD structures

    International Nuclear Information System (INIS)

    Clarke, A S; Holland, A; Hall, D J; Burt, D

    2012-01-01

    The primary aim of ESA's proposed Euclid mission is to observe the distribution of galaxies and galaxy clusters, enabling the mapping of the dark architecture of the universe [1]. This requires a high performance detector, designed to endure a harsh radiation environment. The e2v CCD204 image sensor was redesigned for use on the Euclid mission [2]. The resulting e2v CCD273 has a narrower serial register electrode and transfer channel compared to its predecessor, causing a reduction in the size of charge packets stored, thus reducing the number of traps encountered by the signal electrons during charge transfer and improving the serial Charge Transfer Efficiency (CTE) under irradiation [3]. The proposed Euclid CCD has been modelled using the Silvaco TCAD software [4], to test preliminary calculations for the Full Well Capacity (FWC) and the channel potential of the device and provide indications of the volume occupied by varying signals. These results are essential for the realisation of the mission objectives and for radiation damage studies, with the aim of producing empirically derived formulae to approximate signal-volume characteristics in the devices. These formulae will be used in the radiation damage (charge trapping) models. The Silvaco simulations have been tested against real devices to compare the experimental measurements to those predicted in the models. Using these results, the implications of this study on the Euclid mission can be investigated in more detail.

  16. Variational multiscale models for charge transport.

    Science.gov (United States)

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  17. Variational multiscale models for charge transport

    Science.gov (United States)

    Wei, Guo-Wei; Zheng, Qiong; Chen, Zhan; Xia, Kelin

    2012-01-01

    This work presents a few variational multiscale models for charge transport in complex physical, chemical and biological systems and engineering devices, such as fuel cells, solar cells, battery cells, nanofluidics, transistors and ion channels. An essential ingredient of the present models, introduced in an earlier paper (Bulletin of Mathematical Biology, 72, 1562-1622, 2010), is the use of differential geometry theory of surfaces as a natural means to geometrically separate the macroscopic domain from the microscopic domain, meanwhile, dynamically couple discrete and continuum descriptions. Our main strategy is to construct the total energy functional of a charge transport system to encompass the polar and nonpolar free energies of solvation, and chemical potential related energy. By using the Euler-Lagrange variation, coupled Laplace-Beltrami and Poisson-Nernst-Planck (LB-PNP) equations are derived. The solution of the LB-PNP equations leads to the minimization of the total free energy, and explicit profiles of electrostatic potential and densities of charge species. To further reduce the computational complexity, the Boltzmann distribution obtained from the Poisson-Boltzmann (PB) equation is utilized to represent the densities of certain charge species so as to avoid the computationally expensive solution of some Nernst-Planck (NP) equations. Consequently, the coupled Laplace-Beltrami and Poisson-Boltzmann-Nernst-Planck (LB-PBNP) equations are proposed for charge transport in heterogeneous systems. A major emphasis of the present formulation is the consistency between equilibrium LB-PB theory and non-equilibrium LB-PNP theory at equilibrium. Another major emphasis is the capability of the reduced LB-PBNP model to fully recover the prediction of the LB-PNP model at non-equilibrium settings. To account for the fluid impact on the charge transport, we derive coupled Laplace-Beltrami, Poisson-Nernst-Planck and Navier-Stokes equations from the variational principle

  18. In-transit charging lane model

    NARCIS (Netherlands)

    Verkerk, A.; Nijmeijer, H.; Khajepour, A.

    2012-01-01

    The current electric vehicles still have a problem with a short range and long charging time compared to the internal combustion vehicles. A possible solution for this problem is to charge the batteries while driving on the highway. For this, a special traffic lane is needed with an in-transit

  19. Modeling of charged anisotropic compact stars in general relativity

    Energy Technology Data Exchange (ETDEWEB)

    Dayanandan, Baiju; Maurya, S.K.; T, Smitha T. [University of Nizwa, Department of Mathematical and Physical Sciences, College of Arts and Science, Nizwa (Oman)

    2017-06-15

    A charged compact star model has been determined for anisotropic fluid distribution. We have solved the Einstein-Maxwell field equations to construct the charged compact star model by using the radial pressure, the metric function e{sup λ} and the electric charge function. The generic charged anisotropic solution is verified by exploring different physical conditions like causality condition, mass-radius relation and stability of the solution (via the adiabatic index, TOV equations and the Herrera cracking concept). It is observed that the present charged anisotropic compact star model is compatible with the star PSR 1937+21. Moreover, we also presented the EOS ρ = f(p) for the present charged compact star model. (orig.)

  20. Charge distribution in an two-chain dual model

    International Nuclear Information System (INIS)

    Fialkowski, K.; Kotanski, A.

    1983-01-01

    Charge distributions in the multiple production processes are analysed using the dual chain model. A parametrisation of charge distributions for single dual chains based on the νp and anti vp data is proposed. The rapidity charge distributions are then calculated for pp and anti pp collisions and compared with the previous calculations based on the recursive cascade model of single chains. The results differ at the SPS collider energies and in the energy dependence of the net forward charge supplying the useful tests of the dual chain model. (orig.)

  1. Gravitational instantons as models for charged particle systems

    Science.gov (United States)

    Franchetti, Guido; Manton, Nicholas S.

    2013-03-01

    In this paper we propose ALF gravitational instantons of types A k and D k as models for charged particle systems. We calculate the charges of the two families. These are -( k + 1) for A k , which is proposed as a model for k + 1 electrons, and 2 - k for D k , which is proposed as a model for either a particle of charge +2 and k electrons or a proton and k - 1 electrons. Making use of preferred topological and metrical structures of the manifolds, namely metrically preferred representatives of middle dimension homology classes, we construct two different energy functionals which reproduce the Coulomb interaction energy for a system of charged particles.

  2. 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

  3. The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building.

    Science.gov (United States)

    Dupradeau, François-Yves; Pigache, Adrien; Zaffran, Thomas; Savineau, Corentin; Lelong, Rodolphe; Grivel, Nicolas; Lelong, Dimitri; Rosanski, Wilfried; Cieplak, Piotr

    2010-07-28

    Deriving atomic charges and building a force field library for a new molecule are key steps when developing a force field required for conducting structural and energy-based analysis using molecular mechanics. Derivation of popular RESP charges for a set of residues is a complex and error prone procedure because it depends on numerous input parameters. To overcome these problems, the R.E.D. Tools (RESP and ESP charge Derive, ) have been developed to perform charge derivation in an automatic and straightforward way. The R.E.D. program handles chemical elements up to bromine in the periodic table. It interfaces different quantum mechanical programs employed for geometry optimization and computing molecular electrostatic potential(s), and performs charge fitting using the RESP program. By defining tight optimization criteria and by controlling the molecular orientation of each optimized geometry, charge values are reproduced at any computer platform with an accuracy of 0.0001 e. The charges can be fitted using multiple conformations, making them suitable for molecular dynamics simulations. R.E.D. allows also for defining charge constraints during multiple molecule charge fitting, which are used to derive charges for molecular fragments. Finally, R.E.D. incorporates charges into a force field library, readily usable in molecular dynamics computer packages. For complex cases, such as a set of homologous molecules belonging to a common family, an entire force field topology database is generated. Currently, the atomic charges and force field libraries have been developed for more than fifty model systems and stored in the RESP ESP charge DDataBase. Selected results related to non-polarizable charge models are presented and discussed.

  4. Symmetrization of mathematical model of charge transport in semiconductors

    Directory of Open Access Journals (Sweden)

    Alexander M. Blokhin

    2002-11-01

    Full Text Available A mathematical model of charge transport in semiconductors is considered. The model is a quasilinear system of differential equations. A problem of finding an additional entropy conservation law and system symmetrization are solved.

  5. The charged particle accelerators subsystems modeling

    International Nuclear Information System (INIS)

    Averyanov, G P; Kobylyatskiy, A V

    2017-01-01

    Presented web-based resource for information support the engineering, science and education in Electrophysics, containing web-based tools for simulation subsystems charged particle accelerators. Formulated the development motivation of Web-Environment for Virtual Electrophysical Laboratories. Analyzes the trends of designs the dynamic web-environments for supporting of scientific research and E-learning, within the framework of Open Education concept. (paper)

  6. Model for thickness dependence of radiation charging in MOS structures

    Science.gov (United States)

    Viswanathan, C. R.; Maserjian, J.

    1976-01-01

    The model considers charge buildup in MOS structures due to hole trapping in the oxide and the creation of sheet charge at the silicon interface. The contribution of hole trapping causes the flatband voltage to increase with thickness in a manner in which square and cube dependences are limiting cases. Experimental measurements on samples covering a 200 - 1000 A range of oxide thickness are consistent with the model, using independently obtained values of hole-trapping parameters. An important finding of our experimental results is that a negative interface charge contribution due to surface states created during irradiation compensates most of the positive charge in the oxide at flatband. The tendency of the surface states to 'track' the positive charge buildup in the oxide, for all thicknesses, applies both in creation during irradiation and in annihilation during annealing. An explanation is proposed based on the common defect origin of hole traps and potential surface states.

  7. Analytic Models for Sunlight Charging of a Rapidly Spinning Satellite

    National Research Council Canada - National Science Library

    Tautz, Maurice

    2003-01-01

    ... photoelectrons can be blocked by local potential barriers. In this report, we discuss two analytic models for sunlight charging of a rapidly spinning spherical satellite, both of which are based on blocked photoelectron currents...

  8. Charge-coupled-device X-ray detector performance model

    Science.gov (United States)

    Bautz, M. W.; Berman, G. E.; Doty, J. P.; Ricker, G. R.

    1987-01-01

    A model that predicts the performance characteristics of CCD detectors being developed for use in X-ray imaging is presented. The model accounts for the interactions of both X-rays and charged particles with the CCD and simulates the transport and loss of charge in the detector. Predicted performance parameters include detective and net quantum efficiencies, split-event probability, and a parameter characterizing the effective thickness presented by the detector to cosmic-ray protons. The predicted performance of two CCDs of different epitaxial layer thicknesses is compared. The model predicts that in each device incomplete recovery of the charge liberated by a photon of energy between 0.1 and 10 keV is very likely to be accompanied by charge splitting between adjacent pixels. The implications of the model predictions for CCD data processing algorithms are briefly discussed.

  9. Methodology for assessing electric vehicle charging infrastructure business models

    International Nuclear Information System (INIS)

    Madina, Carlos; Zamora, Inmaculada; Zabala, Eduardo

    2016-01-01

    The analysis of economic implications of innovative business models in networked environments, as electro-mobility is, requires a global approach to ensure that all the involved actors obtain a benefit. Although electric vehicles (EVs) provide benefits for the society as a whole, there are a number of hurdles for their widespread adoption, mainly the high investment cost for the EV and for the infrastructure. Therefore, a sound business model must be built up for charging service operators, which allows them to recover their costs while, at the same time, offer EV users a charging price which makes electro-mobility comparable to internal combustion engine vehicles. For that purpose, three scenarios are defined, which present different EV charging alternatives, in terms of charging power and charging station ownership and accessibility. A case study is presented for each scenario and the required charging station usage to have a profitable business model is calculated. We demonstrate that private home charging is likely to be the preferred option for EV users who can charge at home, as it offers a lower total cost of ownership under certain conditions, even today. On the contrary, finding a profitable business case for fast charging requires more intensive infrastructure usage. - Highlights: • Ecosystem is a network of actors who collaborate to create a positive business case. • Electro-mobility (electricity-powered road vehicles and ICT) is a complex ecosystem. • Methodological analysis to ensure that all actors benefit from electro-mobility. • Economic analysis of charging infrastructure deployment linked to its usage. • Comparison of EV ownership cost vs. ICE for vehicle users.

  10. Reserving Charging Decision-Making Model and Route Plan for Electric Vehicles Considering Information of Traffic and Charging Station

    Directory of Open Access Journals (Sweden)

    Haoming Liu

    2018-04-01

    Full Text Available With the advance of battery energy technology, electric vehicles (EV are catching more and more attention. One of the influencing factors of electric vehicles large-scale application is the availability of charging stations and convenience of charging. It is important to investigate how to make reserving charging strategies and ensure electric vehicles are charged with shorter time and lower charging expense whenever charging request is proposed. This paper proposes a reserving charging decision-making model for electric vehicles that move to certain destinations and need charging services in consideration of traffic conditions and available charging resources at the charging stations. Besides, the interactive mechanism is described to show how the reserving charging system works, as well as the rolling records-based credit mechanism where extra charges from EV is considered to hedge default behavior. With the objectives of minimizing driving time and minimizing charging expenses, an optimization model with two objective functions is formulated. Then the optimizations are solved by a K shortest paths algorithm based on a weighted directed graph, where the time and distance factors are respectively treated as weights of corresponding edges of transportation networks. Case studies show the effectiveness and validity of the proposed route plan and reserving charging decision-making model.

  11. Charging of mobile services by mobile payment reference model

    OpenAIRE

    Pousttchi, Key; Wiedemann, Dietmar Georg

    2005-01-01

    The purpose of the paper is to analyze mobile payments in the mobile commerce scenario. Therefore, we first classify the mobile payment in the mobile commerce scenario by explaining general offer models, charging concepts, and intermediaries. Second, we describe the mobile payment reference model, especially, the mobile payment reference organization model and different mobile payment standard types. Finally, we conclude our findings.

  12. Discrete Element Modeling (DEM) of Triboelectrically Charged Particles: Revised Experiments

    Science.gov (United States)

    Hogue, Michael D.; Calle, Carlos I.; Curry, D. R.; Weitzman, P. S.

    2008-01-01

    In a previous work, the addition of basic screened Coulombic electrostatic forces to an existing commercial discrete element modeling (DEM) software was reported. Triboelectric experiments were performed to charge glass spheres rolling on inclined planes of various materials. Charge generation constants and the Q/m ratios for the test materials were calculated from the experimental data and compared to the simulation output of the DEM software. In this paper, we will discuss new values of the charge generation constants calculated from improved experimental procedures and data. Also, planned work to include dielectrophoretic, Van der Waals forces, and advanced mechanical forces into the software will be discussed.

  13. DETAILED MODELLING OF CHARGING BEHAVIOUR OF SMART SOLAR TANKS

    DEFF Research Database (Denmark)

    Fan, Jianhua; Andersen, Elsa; Furbo, Simon

    2010-01-01

    The charging behaviour of smart solar tanks for solar combisystems for one-family houses is investigated with detailed Computational Fluid Dynamics (CFD) modelling and Particle Image Velocimetry (PIV) measurements. The smart solar tank can be charged with a variable auxiliary volume fitted...... or by an electric heating element in a side-arm mounted on the side of the tank. Detailed CFD models of the smart tanks are built with different mesh densities in the tank and in the side-arm. The thermal conditions of the tank during charging are calculated with the CFD models. The fluid flow and temperature...... by the mesh densities, the distribution of computational cells, the physical model and time steps used in the simulations. The findings of the investigations will be used as guidance for creation of CFD models for optimal design of smart solar tanks....

  14. Solitary Model of the Charge Particle Transport in Collisionless Plasma

    International Nuclear Information System (INIS)

    Simonchik, L.V.; Trukhachev, F.M.

    2006-01-01

    The one-dimensional MHD solitary model of charged particle transport in plasma is developed. It is shown that self-consistent electric field of ion-acoustic solitons can displace charged particles in space, which can be a reason of local electric current generation. The displacement amount is order of a few Debye lengths. It is shown that the current associated with soliton cascade has pulsating nature with DC component. Methods of built theory verification in dusty plasma are proposed

  15. Interplanetary Radiation and Internal Charging Environment Models for Solar Sails

    Science.gov (United States)

    Minow, Joseph I.; Altstatt, Richard L.; NeegaardParker, Linda

    2005-01-01

    A Solar Sail Radiation Environment (SSRE) model has been developed for defining charged particle environments over an energy range from 0.01 keV to 1 MeV for hydrogen ions, helium ions, and electrons. The SSRE model provides the free field charged particle environment required for characterizing energy deposition per unit mass, charge deposition, and dose rate dependent conductivity processes required to evaluate radiation dose and internal (bulk) charging processes in the solar sail membrane in interplanetary space. Solar wind and energetic particle measurements from instruments aboard the Ulysses spacecraft in a solar, near-polar orbit provide the particle data over a range of heliospheric latitudes used to derive the environment that can be used for radiation and charging environments for both high inclination 0.5 AU Solar Polar Imager mission and the 1.0 AU L1 solar missions. This paper describes the techniques used to model comprehensive electron, proton, and helium spectra over the range of particle energies of significance to energy and charge deposition in thin (less than 25 micrometers) solar sail materials.

  16. 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.

  17. Charging stations location model based on spatiotemporal electromobility use patterns

    Science.gov (United States)

    Pagany, Raphaela; Marquardt, Anna; Zink, Roland

    2016-04-01

    One of the major challenges for mainstream adoption of electric vehicles is the provision of infrastructure for charging the batteries of the vehicles. The charging stations must not only be located dense enough to allow users to complete their journeys, but the electric energy must also be provided from renewable sources in order to truly offer a transportation with less CO2 emissions. The examination of potential locations for the charging of electric vehicles can facilitate the adaption of electromobility and the integration of electronic vehicles in everyday life. A geographic information system (GIS) based model for optimal location of charging stations in a small and regional scale is presented. This considers parameters such as the forecast of electric vehicle use penetration, the relevant weight of diverse point of interests and the distance between parking area and destination for different vehicle users. In addition to the spatial scale the temporal modelling of the energy demand at the different charging locations has to be considerate. Depending on different user profiles (commuters, short haul drivers etc.) the frequency of charging vary during the day, the week and the year. In consequence, the spatiotemporal variability is a challenge for a reliable energy supply inside a decentralized renewable energy system. The presented model delivers on the one side the most adequate identified locations for charging stations and on the other side the interaction between energy supply and demand for electromobility under the consideration of temporal aspects. Using ESRI ArcGIS Desktop, first results for the case study region of Lower Bavaria are generated. The aim of the concept is to keep the model transferable to other regions and also open to integrate further and more detailed user profiles, derived from social studies about i.e. the daily behavior and the perception of electromobility in a next step.

  18. Simple standard model extension by heavy charged scalar

    Science.gov (United States)

    Boos, E.; Volobuev, I.

    2018-05-01

    We consider a Standard Model (SM) extension by a heavy charged scalar gauged only under the UY(1 ) weak hypercharge gauge group. Such an extension, being gauge invariant with respect to the SM gauge group, is a simple special case of the well-known Zee model. Since the interactions of the charged scalar with the Standard Model fermions turn out to be significantly suppressed compared to the Standard Model interactions, the charged scalar provides an example of a long-lived charged particle being interesting to search for at the LHC. We present the pair and single production cross sections of the charged scalar at different colliders and the possible decay widths for various boson masses. It is shown that the current ATLAS and CMS searches at 8 and 13 TeV collision energy lead to the bounds on the scalar boson mass of about 300-320 GeV. The limits are expected to be much larger for higher collision energies and, assuming 15 a b-1 integrated luminosity, reach about 2.7 TeV at future 27 TeV LHC thus covering the most interesting mass region.

  19. Ab initio folding of mixed-fold FSD-EY protein using formula-based polarizable hydrogen bond (PHB) charge model

    Science.gov (United States)

    Zhang, Dawei; Lazim, Raudah; Mun Yip, Yew

    2017-09-01

    We conducted an all-atom ab initio folding of FSD-EY, a protein with a ββα configuration using non-polarizable (AMBER) and polarizable force fields (PHB designed by Gao et al.) in implicit solvent. The effect of reducing the polarization effect integrated into the force field by the PHB model, termed the PHB0.7 was also examined in the folding of FSD-EY. This model incorporates into the force field 70% of the original polarization effect to minimize the likelihood of over-stabilizing the backbone hydrogen bonds. Precise folding of the β-sheet of FSD-EY was further achieved by relaxing the REMD structure obtained in explicit water.

  20. Modeling space charge in beams for heavy-ion fusion

    International Nuclear Information System (INIS)

    Sharp, W.M.

    1995-01-01

    A new analytic model is presented which accurately estimates the radially averaged axial component of the space-charge field of an axisymmetric heavy-ion beam in a cylindrical beam pipe. The model recovers details of the field near the beam ends that are overlooked by simpler models, and the results compare well to exact solutions of Poisson's equation. Field values are shown for several simple beam profiles and are compared with values obtained from simpler models

  1. Solid charged-core model of ball lightning

    Science.gov (United States)

    Muldrew, D. B.

    2010-01-01

    In this study, ball lightning (BL) is assumed to have a solid, positively-charged core. According to this underlying assumption, the core is surrounded by a thin electron layer with a charge nearly equal in magnitude to that of the core. A vacuum exists between the core and the electron layer containing an intense electromagnetic (EM) field which is reflected and guided by the electron layer. The microwave EM field applies a ponderomotive force (radiation pressure) to the electrons preventing them from falling into the core. The energetic electrons ionize the air next to the electron layer forming a neutral plasma layer. The electric-field distributions and their associated frequencies in the ball are determined by applying boundary conditions to a differential equation given by Stratton (1941). It is then shown that the electron and plasma layers are sufficiently thick and dense to completely trap and guide the EM field. This model of BL is exceptional in that it can explain all or nearly all of the peculiar characteristics of BL. The ES energy associated with the core charge can be extremely large which can explain the observations that occasionally BL contains enormous energy. The mass of the core prevents the BL from rising like a helium-filled balloon - a problem with most plasma and burning-gas models. The positively charged core keeps the negatively charged electron layer from diffusing away, i.e. it holds the ball together; other models do not have a mechanism to do this. The high electrical charges on the core and in the electron layer explains why some people have been electrocuted by BL. Experiments indicate that BL radiates microwaves upon exploding and this is consistent with the model. The fact that this novel model of BL can explain these and other observations is strong evidence that the model should be taken seriously.

  2. Charge loss experiments in surface channel CCD's explained by the McWhorter interface states model

    NARCIS (Netherlands)

    Penning De Vries, R.G.M.; Wallinga, Hans

    1985-01-01

    On the basis of the McWhorter interface states model the CCD charge loss is derived as a function of bias charge, signal charge and channel width. As opposed to existing models, the charge loss is now attributed to interface states in the entire gate area, even for high bias charge levels.

  3. Charge and color breaking minima in supersymmetric models

    International Nuclear Information System (INIS)

    Brhlik, Michal

    2001-01-01

    Supersymmetric extensions of the Standard Model include complicated scalar sectors leading to the possible occurrence of non-standard minima along suitable directions in the field space. These minima usually break charge and/or color and their presence in the theory would require an explanation why the universe has settled in the standard electroweak symmetry breaking minimum. In this talk I illustrate the relevance of the charge and color breaking minima in the framework of the minimal supergravity model and a string motivated Horava-Witten scenario

  4. Charge carrier relaxation model in disordered organic semiconductors

    International Nuclear Information System (INIS)

    Lu, Nianduan; Li, Ling; Sun, Pengxiao; Liu, Ming

    2013-01-01

    The relaxation phenomena of charge carrier in disordered organic semiconductors have been demonstrated and investigated theoretically. An analytical model describing the charge carrier relaxation is proposed based on the pure hopping transport theory. The relation between the material disorder, electric field and temperature and the relaxation phenomena has been discussed in detail, respectively. The calculated results reveal that the increase of electric field and temperature can promote the relaxation effect in disordered organic semiconductors, while the increase of material disorder will weaken the relaxation. The proposed model can explain well the stretched-exponential law by adopting the appropriate parameters. The calculation shows a good agreement with the experimental data for organic semiconductors

  5. Modeling, hybridization, and optimal charging of electrical energy storage systems

    Science.gov (United States)

    Parvini, Yasha

    The rising rate of global energy demand alongside the dwindling fossil fuel resources has motivated research for alternative and sustainable solutions. Within this area of research, electrical energy storage systems are pivotal in applications including electrified vehicles, renewable power generation, and electronic devices. The approach of this dissertation is to elucidate the bottlenecks of integrating supercapacitors and batteries in energy systems and propose solutions by the means of modeling, control, and experimental techniques. In the first step, the supercapacitor cell is modeled in order to gain fundamental understanding of its electrical and thermal dynamics. The dependence of electrical parameters on state of charge (SOC), current direction and magnitude (20-200 A), and temperatures ranging from -40°C to 60°C was embedded in this computationally efficient model. The coupled electro-thermal model was parameterized using specifically designed temporal experiments and then validated by the application of real world duty cycles. Driving range is one of the major challenges of electric vehicles compared to combustion vehicles. In order to shed light on the benefits of hybridizing a lead-acid driven electric vehicle via supercapacitors, a model was parameterized for the lead-acid battery and combined with the model already developed for the supercapacitor, to build the hybrid battery-supercapacitor model. A hardware in the loop (HIL) setup consisting of a custom built DC/DC converter, micro-controller (muC) to implement the power management strategy, 12V lead-acid battery, and a 16.2V supercapacitor module was built to perform the validation experiments. Charging electrical energy storage systems in an efficient and quick manner, motivated to solve an optimal control problem with the objective of maximizing the charging efficiency for supercapacitors, lead-acid, and lithium ion batteries. Pontryagins minimum principle was used to solve the problems

  6. Probing the Importance of Charge Flux in Force Field Modeling.

    Science.gov (United States)

    Sedghamiz, Elaheh; Nagy, Balazs; Jensen, Frank

    2017-08-08

    We analyze the conformational dependence of atomic charges and molecular dipole moments for a selection of ∼900 conformations of peptide models of the 20 neutral amino acids. Based on a set of reference density functional theory calculations, we partition the changes into effects due to changes in bond distances, bond angles, and torsional angles and into geometry and charge flux contributions. This allows an assessment of the limitations of fixed charge force fields and indications for how to design improved force fields. The torsional degrees of freedom are the main contribution to conformational changes of atomic charges and molecular dipole moments, but indirect effects due to change in bond distances and angles account for ∼25% of the variation. Charge flux effects dominate for changes in bond distances and are also the main component of the variation in bond angles, while they are ∼25% compared to the geometry variations for torsional degrees of freedom. The geometry and charge flux contributions to some extent produce compensating effects.

  7. Models of charge pair generation in organic solar cells.

    Science.gov (United States)

    Few, Sheridan; Frost, Jarvist M; Nelson, Jenny

    2015-01-28

    Efficient charge pair generation is observed in many organic photovoltaic (OPV) heterojunctions, despite nominal electron-hole binding energies which greatly exceed the average thermal energy. Empirically, the efficiency of this process appears to be related to the choice of donor and acceptor materials, the resulting sequence of excited state energy levels and the structure of the interface. In order to establish a suitable physical model for the process, a range of different theoretical studies have addressed the nature and energies of the interfacial states, the energetic profile close to the heterojunction and the dynamics of excited state transitions. In this paper, we review recent developments underpinning the theory of charge pair generation and phenomena, focussing on electronic structure calculations, electrostatic models and approaches to excited state dynamics. We discuss the remaining challenges in achieving a predictive approach to charge generation efficiency.

  8. 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.

  9. A charge-based model of Junction Barrier Schottky rectifiers

    Science.gov (United States)

    Latorre-Rey, Alvaro D.; Mudholkar, Mihir; Quddus, Mohammed T.; Salih, Ali

    2018-06-01

    A new charge-based model of the electric field distribution for Junction Barrier Schottky (JBS) diodes is presented, based on the description of the charge-sharing effect between the vertical Schottky junction and the lateral pn-junctions that constitute the active cell of the device. In our model, the inherently 2-D problem is transformed into a simple but accurate 1-D problem which has a closed analytical solution that captures the reshaping and reduction of the electric field profile responsible for the improved electrical performance of these devices, while preserving physically meaningful expressions that depend on relevant device parameters. The validation of the model is performed by comparing calculated electric field profiles with drift-diffusion simulations of a JBS device showing good agreement. Even though other fully 2-D models already available provide higher accuracy, they lack physical insight making the proposed model an useful tool for device design.

  10. Charged and neutral minimal supersymmetric standard model Higgs ...

    Indian Academy of Sciences (India)

    physics pp. 759–763. Charged and neutral minimal supersymmetric standard model Higgs boson decays and measurement of tan β at the compact linear collider. E CONIAVITIS and A FERRARI∗. Department of Nuclear and Particle Physics, Uppsala University, 75121 Uppsala, Sweden. ∗E-mail: ferrari@tsl.uu.se. Abstract.

  11. Modeling charge transfer at organic donor-acceptor semiconductor interfaces

    NARCIS (Netherlands)

    Cakir, Deniz; Bokdam, Menno; de Jong, Machiel Pieter; Fahlman, M.; Brocks, G.

    2012-01-01

    We develop an integer charge transfer model for the potential steps observed at interfaces between donor and acceptor molecular semiconductors. The potential step can be expressed as the difference between the Fermi energy pinning levels of electrons on the acceptor material and holes on the donor

  12. 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 ...

  13. Methodology for assessing electric vehicle charging infrastructure business models

    OpenAIRE

    Madina, Carlos; Zamora, Inmaculada; Zabala, Eduardo

    2016-01-01

    The analysis of economic implications of innovative business models in networked environments, as electro-mobility is, requires a global approach to ensure that all the involved actors obtain a benefit. Although electric vehicles (EVs) provide benefits for the society as a whole, there are a number of hurdles for their widespread adoption, mainly the high investment cost for the EV and for the infrastructure. Therefore, a sound business model must be built up for charging service operators, w...

  14. Modeling the Electric Potential and Surface Charge Density near Charged Thunderclouds

    Science.gov (United States)

    Neel, Matthew Stephen

    2018-01-01

    Thundercloud charge separation, or the process by which the bottom portion of a cloud gathers charge and the top portion of the cloud gathers the opposite charge, is still not thoroughly understood. Whatever the mechanism, though, a charge separation definitely exists and can lead to electrostatic discharge via cloud-to-cloud lightning and…

  15. Internal Structure of Charged Particles in a GRT Gravitational Model

    Science.gov (United States)

    Khlestkov, Yu. A.; Sukhanova, L. A.

    2018-05-01

    With the help of an exact solution of the Einstein and Maxwell equations, the internal structure of a multiply connected space of wormhole type with two unclosed static throats leading out of it into two parallel vacuum spaces or into one space is investigated in GRT for a free electric field and dust-like matter. The given geometry is considered as a particle-antiparticle pair with fundamental constants arising in the form of first integrals in the solution of the Cauchy problem - electric charges ±e of opposite sign in the throats and rest mass m0 - the total gravitational mass of the inner world of the particle in the throat. With the help of the energy conservation law, the unremovable rotation of the internal structure is included and the projection of the angular momentum of which onto the rotation axis is identified with the z-projection of the spin of the charged particle. The radius of 2-Gaussian curvature of the throat R* is identified with the charge radius of the particle, and the z-projection of the magnetic moment and the g-factor are found. The feasibility of the given gravitational model is confirmed by the found condition of independence of the spin quantum number of the electron and the proton s = 1/2 of the charge radius R* and the relativistic rest mass m* of the rotating throat, which is reliably confirmed experimentally, and also by the coincidence with high accuracy of the proton radius calculated in the model R*p = 0.8412·10-13 cm with the value of the proton charge radius obtained experimentally by measuring the Lamb shift on muonic hydrogen. The electron in the given model also turns out to be a structured particle with radius R*e = 3.8617·10-11 cm.

  16. A preon model with hidden electric and magnetic type charges

    International Nuclear Information System (INIS)

    Pati, J.C.; Strathdee, J.

    1980-11-01

    The U(1) x U(1) binding forces in an earlier preonic composite model of quarks and leptons are interpreted as arising from hidden electric and magnetic type charges. The preons may possess intrinsic spin zero; the half-integer spins of the composites being contributed by the force field. The quark-lepton gauge symmetry is interpreted as an effective low-energy symmetry arising at the composite level. Some remarks are made regarding the possible composite nature of the graviton. (author)

  17. Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates

    Science.gov (United States)

    Walton, Otis R.; Johnson, Scott M.

    2010-01-01

    The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging

  18. Supercooled liquid dynamics for the charged hard-sphere model

    International Nuclear Information System (INIS)

    Lai, S.K.; Chang, S.Y.

    1994-08-01

    We study the dynamics of supercooled liquid and the liquid-glass transition by applying the mode coupling theory to the charged hard-sphere model. By exploiting the two independent parameters inherent in the charged hard-sphere system we examine structurally the subtle and competitive role played by the short-range hard-core correlation and the long-range Coulomb tail. It is found in this work that the long-range Coulombic charge factor effect is generally a less effective contribution to structure when the plasma parameter is less than 500 and becomes dominant when it is greater thereof. To extend our understanding of the supercooled liquid and the liquid-glass transition, an attempt is made to calculate and to give physical relevance to the mode-coupling parameters which are frequently used as mere fitting parameters in analysis of experiments on supercooled liquid systems. This latter information enables us to discuss the possible application of the model to a realistic system. (author). 22 refs, 4 figs

  19. On well-posedness of variational models of charged drops.

    Science.gov (United States)

    Muratov, Cyrill B; Novaga, Matteo

    2016-03-01

    Electrified liquids are well known to be prone to a variety of interfacial instabilities that result in the onset of apparent interfacial singularities and liquid fragmentation. In the case of electrically conducting liquids, one of the basic models describing the equilibrium interfacial configurations and the onset of instability assumes the liquid to be equipotential and interprets those configurations as local minimizers of the energy consisting of the sum of the surface energy and the electrostatic energy. Here we show that, surprisingly, this classical geometric variational model is mathematically ill-posed irrespective of the degree to which the liquid is electrified. Specifically, we demonstrate that an isolated spherical droplet is never a local minimizer, no matter how small is the total charge on the droplet, as the energy can always be lowered by a smooth, arbitrarily small distortion of the droplet's surface. This is in sharp contrast to the experimental observations that a critical amount of charge is needed in order to destabilize a spherical droplet. We discuss several possible regularization mechanisms for the considered free boundary problem and argue that well-posedness can be restored by the inclusion of the entropic effects resulting in finite screening of free charges.

  20. A Unified Channel Charges Expression for Analytic MOSFET Modeling

    Directory of Open Access Journals (Sweden)

    Hugues Murray

    2012-01-01

    Full Text Available Based on a 1D Poissons equation resolution, we present an analytic model of inversion charges allowing calculation of the drain current and transconductance in the Metal Oxide Semiconductor Field Effect Transistor. The drain current and transconductance are described by analytical functions including mobility corrections and short channel effects (CLM, DIBL. The comparison with the Pao-Sah integral shows excellent accuracy of the model in all inversion modes from strong to weak inversion in submicronics MOSFET. All calculations are encoded with a simple C program and give instantaneous results that provide an efficient tool for microelectronics users.

  1. Modeling Framework and Results to Inform Charging Infrastructure Investments

    Energy Technology Data Exchange (ETDEWEB)

    Melaina, Marc W [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Wood, Eric W [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

    2017-09-01

    The plug-in electric vehicle (PEV) market is experiencing rapid growth with dozens of battery electric (BEV) and plug-in hybrid electric (PHEV) models already available and billions of dollars being invested by automotive manufacturers in the PEV space. Electric range is increasing thanks to larger and more advanced batteries and significant infrastructure investments are being made to enable higher power fast charging. Costs are falling and PEVs are becoming more competitive with conventional vehicles. Moreover, new technologies such as connectivity and automation hold the promise of enhancing the value proposition of PEVs. This presentation outlines a suite of projects funded by the U.S. Department of Energy's Vehicle Technology Office to conduct assessments of the economic value and charging infrastructure requirements of the evolving PEV market. Individual assessments include national evaluations of PEV economic value (assuming 73M PEVs on the road in 2035), national analysis of charging infrastructure requirements (with community and corridor level resolution), and case studies of PEV ownership in Columbus, OH and Massachusetts.

  2. 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.

  3. Thermal Models of the Niger Delta: Implications for Charge Modelling

    International Nuclear Information System (INIS)

    Ejedawe, J.

    2002-01-01

    There are generally three main sources of temperature data-BHT data from log headers, production temperature data, and continuo's temperature logs. Analysis of continuous temperature profiles of over 100 wells in the Niger Delta two main thermal models (single leg and dogleg) are defined with occasional occurrence of a modified dogleg model.The dogleg model is characterised by a shallow interval of low geothermal gradient ( 3.0.C/100m). This is characteristically developed onshore area is simple, requiring only consideration of heat transients, modelling in the onshore require modelling programmes with built in modules to handle convective heat flow dissipation in the shallow layer. Current work around methods would involve tweaking of thermal conductivity values to mimic the underlying heat flow process effects, or heat flow mapping above and below the depth of gradient change. These methods allow for more realistic thermal modelling, hydrocarbon type prediction, and also more accurate prediction of temperature prior to drilling and for reservoir rock properties. The regional distribution of the models also impact on regional hydrocarbon distribution pattern in the Niger Delta

  4. A Massless-Point-Charge Model for the Electron

    Directory of Open Access Journals (Sweden)

    Daywitt W. C.

    2010-04-01

    Full Text Available “It is rather remarkable that the modern concept of electrodynamics is not quite 100 years old and yet still does not rest firmly upon uniformly accepted theoretical foun- dations. Maxwell’s theory of the electromagnetic field is firmly ensconced in modern physics, to be sure, but the details of how charged particles are to be coupled to this field remain somewhat uncertain, despite the enormous advances in quantum electrody- namics over the past 45 years. Our theories remain mathematically ill-posed and mired in conceptual ambiguities which quantum mechanics has only moved to another arena rather than resolve. Fundamentally, we still do not understand just what is a charged particle” [1, p.367]. As a partial answer to the preceeding quote, this paper presents a new model for the electron that combines the seminal work of Puthoff [2] with the theory of the Planck vacuum (PV [3], the basic idea for the model following from [2] with the PV theory adding some important details.

  5. A Massless-Point-Charge Model for the Electron

    Directory of Open Access Journals (Sweden)

    Daywitt W. C.

    2010-04-01

    Full Text Available "It is rather remarkable that the modern concept of electrodynamics is not quite 100 years old and yet still does not rest firmly upon uniformly accepted theoretical foundations. Maxwell's theory of the electromagnetic field is firmly ensconced in modern physics, to be sure, but the details of how charged particles are to be coupled to this field remain somewhat uncertain, despite the enormous advances in quantum electrodynamics over the past 45 years. Our theories remain mathematically ill-posed and mired in conceptual ambiguities which quantum mechanics has only moved to another arena rather than resolve. Fundamentally, we still do not understand just what is a charged particle" (Grandy W.T. Jr. Relativistic quantum mechanics of leptons and fields. Kluwer Academic Publishers, Dordrecht-London, 1991, p.367. As a partial answer to the preceeding quote, this paper presents a new model for the electron that combines the seminal work of Puthoff with the theory of the Planck vacuum (PV, the basic idea for the model following from Puthoff with the PV theory adding some important details.

  6. Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations.

    Science.gov (United States)

    Quevillon, Michael J; Whitmer, Jonathan K

    2018-01-02

    Ionic liquid crystals occupy an intriguing middle ground between room-temperature ionic liquids and mesostructured liquid crystals. Here, we examine a non-polarizable, fully atomistic model of the 1-alkyl-3-methylimidazolium nitrate family using molecular dynamics in the constant pressure-constant temperature ensemble. These materials exhibit a distinct "smectic" liquid phase, characterized by layers formed by the molecules, which separate the ionic and aliphatic moieties. In particular, we discuss the implications this layering may have for electrolyte applications.

  7. Charge transport models for reliability engineering of semiconductor devices

    International Nuclear Information System (INIS)

    Bina, M.

    2014-01-01

    The simulation of semiconductor devices is important for the assessment of device lifetimes before production. In this context, this work investigates the influence of the charge carrier transport model on the accuracy of bias temperature instability and hot-carrier degradation models in MOS devices. For this purpose, a four-state defect model based on a non-radiative multi phonon (NMP) theory is implemented to study the bias temperature instability. However, the doping concentrations typically used in nano-scale devices correspond to only a small number of dopants in the channel, leading to fluctuations of the electrostatic potential. Thus, the granularity of the doping cannot be ignored in these devices. To study the bias temperature instability in the presence of fluctuations of the electrostatic potential, the advanced drift diffusion device simulator Minimos-NT is employed. In a first effort to understand the bias temperature instability in p-channel MOSFETs at elevated temperatures, data from direct-current-current-voltage measurements is successfully reproduced using a four-state defect model. Differences between the four-state defect model and the commonly employed trapping model from Shockley, Read and Hall (SRH) have been investigated showing that the SRH model is incapable of reproducing the measurement data. This is in good agreement with the literature, where it has been extensively shown that a model based on SRH theory cannot reproduce the characteristic time constants found in BTI recovery traces. Upon inspection of recorded recovery traces after bias temperature stress in n-channel MOSFETs it is found that the gate current is strongly correlated with the drain current (recovery trace). Using a random discrete dopant model and non-equilibrium greens functions it is shown that direct tunnelling cannot explain the magnitude of the gate current reduction. Instead it is found that trap-assisted tunnelling, modelled using NMP theory, is the cause of this

  8. Generalized one-loop neutrino mass model with charged particles

    Science.gov (United States)

    Cheung, Kingman; Okada, Hiroshi

    2018-04-01

    We propose a radiative neutrino-mass model by introducing 3 generations of fermion pairs E-(N +1 )/2E+(N +1 )/2 and a couple of multicharged bosonic doublet fields ΦN /2,ΦN /2 +1, where N =1 , 3, 5, 7, 9. We show that the models can satisfy the neutrino masses and oscillation data, and are consistent with lepton-flavor violations, the muon anomalous magnetic moment, the oblique parameters, and the beta function of the U (1 )Y hypercharge gauge coupling. We also discuss the collider signals for various N , namely, multicharged leptons in the final state from the Drell-Yan production of E-(N +1 )/2E+(N +1 )/2. In general, the larger the N the more charged leptons will appear in the final state.

  9. Accurate Online Full Charge Capacity Modeling of Smartphone Batteries

    OpenAIRE

    Hoque, Mohammad A.; Siekkinen, Matti; Koo, Jonghoe; Tarkoma, Sasu

    2016-01-01

    Full charge capacity (FCC) refers to the amount of energy a battery can hold. It is the fundamental property of smartphone batteries that diminishes as the battery ages and is charged/discharged. We investigate the behavior of smartphone batteries while charging and demonstrate that the battery voltage and charging rate information can together characterize the FCC of a battery. We propose a new method for accurately estimating FCC without exposing low-level system details or introducing new ...

  10. 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)

  11. Accuracy limit of rigid 3-point water models

    Science.gov (United States)

    Izadi, Saeed; Onufriev, Alexey V.

    2016-08-01

    Classical 3-point rigid water models are most widely used due to their computational efficiency. Recently, we introduced a new approach to constructing classical rigid water models [S. Izadi et al., J. Phys. Chem. Lett. 5, 3863 (2014)], which permits a virtually exhaustive search for globally optimal model parameters in the sub-space that is most relevant to the electrostatic properties of the water molecule in liquid phase. Here we apply the approach to develop a 3-point Optimal Point Charge (OPC3) water model. OPC3 is significantly more accurate than the commonly used water models of same class (TIP3P and SPCE) in reproducing a comprehensive set of liquid bulk properties, over a wide range of temperatures. Beyond bulk properties, we show that OPC3 predicts the intrinsic charge hydration asymmetry (CHA) of water — a characteristic dependence of hydration free energy on the sign of the solute charge — in very close agreement with experiment. Two other recent 3-point rigid water models, TIP3PFB and H2ODC, each developed by its own, completely different optimization method, approach the global accuracy optimum represented by OPC3 in both the parameter space and accuracy of bulk properties. Thus, we argue that an accuracy limit of practical 3-point rigid non-polarizable models has effectively been reached; remaining accuracy issues are discussed.

  12. Electric vehicle charge planning using Economic Model Predictive Control

    DEFF Research Database (Denmark)

    Halvgaard, Rasmus; Poulsen, Niels K.; Madsen, Henrik

    2012-01-01

    Economic Model Predictive Control (MPC) is very well suited for controlling smart energy systems since electricity price and demand forecasts are easily integrated in the controller. Electric vehicles (EVs) are expected to play a large role in the future Smart Grid. They are expected to provide...... grid services, both for peak reduction and for ancillary services, by absorbing short term variations in the electricity production. In this paper the Economic MPC minimizes the cost of electricity consumption for a single EV. Simulations show savings of 50–60% of the electricity costs compared...... to uncontrolled charging from load shifting based on driving pattern predictions. The future energy system in Denmark will most likely be based on renewable energy sources e.g. wind and solar power. These green energy sources introduce stochastic fluctuations in the electricity production. Therefore, energy...

  13. 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.

  14. 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 ...

  15. Modeling of charge transport in ion bipolar junction transistors.

    Science.gov (United States)

    Volkov, Anton V; Tybrandt, Klas; Berggren, Magnus; Zozoulenko, Igor V

    2014-06-17

    Spatiotemporal control of the complex chemical microenvironment is of great importance to many fields within life science. One way to facilitate such control is to construct delivery circuits, comprising arrays of dispensing outlets, for ions and charged biomolecules based on ionic transistors. This allows for addressability of ionic signals, which opens up for spatiotemporally controlled delivery in a highly complex manner. One class of ionic transistors, the ion bipolar junction transistors (IBJTs), is especially attractive for these applications because these transistors are functional at physiological conditions and have been employed to modulate the delivery of neurotransmitters to regulate signaling in neuronal cells. Further, the first integrated complementary ionic circuits were recently developed on the basis of these ionic transistors. However, a detailed understanding of the device physics of these transistors is still lacking and hampers further development of components and circuits. Here, we report on the modeling of IBJTs using Poisson's and Nernst-Planck equations and the finite element method. A two-dimensional model of the device is employed that successfully reproduces the main characteristics of the measurement data. On the basis of the detailed concentration and potential profiles provided by the model, the different modes of operation of the transistor are analyzed as well as the transitions between the different modes. The model correctly predicts the measured threshold voltage, which is explained in terms of membrane potentials. All in all, the results provide the basis for a detailed understanding of IBJT operation. This new knowledge is employed to discuss potential improvements of ion bipolar junction transistors in terms of miniaturization and device parameters.

  16. Spacecraft Charging Modeling -- Nascap-2k 2014 Annual Report

    Science.gov (United States)

    2014-09-19

    appears to work similarly in Internet Explorer, FireFox , and Opera, but fails in Safari and Chrome. Note that the SEE Spacecraft Charging Handbook is... Characteristics of Spacecraft Charging in Low Earth Orbit, J Geophys Res. 11 7, doi: 10.1029/20 11JA016875, 2012. 2 M. Cho, K. Saito, T. Hamanaga, Data

  17. Modeling Prosecutors' Charging Decisions in Domestic Violence Cases

    Science.gov (United States)

    Worrall, John L.; Ross, Jay W.; McCord, Eric S.

    2006-01-01

    Relatively little research explaining prosecutors' charging decisions in criminal cases is available. Even less has focused on charging decisions in domestic violence cases. Past studies have also relied on restrictive definitions of domestic violence, notably cases with male offenders and female victims, and they have not considered prosecutors'…

  18. Screening model for nanowire surface-charge sensors in liquid

    DEFF Research Database (Denmark)

    Sørensen, Martin Hedegård; Mortensen, Asger; Brandbyge, Mads

    2007-01-01

    The conductance change of nanowire field-effect transistors is considered a highly sensitive probe for surface charge. However, Debye screening of relevant physiological liquid environments challenge device performance due to competing screening from the ionic liquid and nanowire charge carriers....

  19. Modeling charge transport properties of cyano-substituted PPV

    International Nuclear Information System (INIS)

    Correia, Helena M.G.; Ramos, Marta M.D.

    2003-01-01

    In recent years, poly (p-phenylenevinylene) (PPV) and its derivatives have attracted much interest due to their applications in light-emitting diodes (LEDs). One of the issues that determine device performance is the transport of charge carriers along the polymer strands. For that reason, we investigate the influence of cyano substitution on geometry and electronic behaviour of PPV chains using self-consistent quantum molecular dynamics simulations. Our results suggest that substitution by cyano groups induce distortion in the PPV chains and a charge rearrangement among the polymer atoms. Specifically addressed is the issue concerning estimates of charge (electron and hole) mobility by computer experiments. Significant differences have been found both in the strength of the electric field needed to move positive and negative charge carriers along the polymer chain as well as in charge mobility

  20. Equivalent circuit modeling of space charge dominated magnetically insulated transmission lines

    Energy Technology Data Exchange (ETDEWEB)

    Hiraoka, Kazuki; Nakajima, Mitsuo; Horioka, Kazuhiko

    1997-12-31

    A new equivalent circuit model for space charge dominated MITLs (Magnetically Insulated Transmission Lines) was developed. MITLs under high power operation are dominated with space charge current flowing between anode and cathode. Conventional equivalent circuit model does not account for space charge effects on power flow. The model was modified to discuss the power transportation through the high power MITLs. With this model, it is possible to estimate the effects of space charge current on the power flow efficiency, without using complicated particle code simulations. (author). 3 figs., 3 refs.

  1. Probabilistic modeling of nodal electric vehicle load due to fast charging stations

    DEFF Research Database (Denmark)

    Tang, Difei; Wang, Peng; Wu, Qiuwei

    2016-01-01

    In order to reduce greenhouse gas emission and fossil fuel dependence, Electric Vehicle (EV) has drawn increasing attention due to its zero emission and high efficiency. However, new problems such as range anxiety, long charging duration and high charging power may threaten the safe and efficient...... station into consideration. Fuzzy logic inference system is applied to simulate the charging decision of EV drivers at fast charging station. Due to increasing EV loads in power system, the potential traffic congestion in fast charging stations is modeled and evaluated by queuing theory with spatial...

  2. Entropic lattice Boltzmann model for charged leaky dielectric multiphase fluids in electrified jets.

    Science.gov (United States)

    Lauricella, Marco; Melchionna, Simone; Montessori, Andrea; Pisignano, Dario; Pontrelli, Giuseppe; Succi, Sauro

    2018-03-01

    We present a lattice Boltzmann model for charged leaky dielectric multiphase fluids in the context of electrified jet simulations, which are of interest for a number of production technologies including electrospinning. The role of nonlinear rheology on the dynamics of electrified jets is considered by exploiting the Carreau model for pseudoplastic fluids. We report exploratory simulations of charged droplets at rest and under a constant electric field, and we provide results for charged jet formation under electrospinning conditions.

  3. Charge transport model in nanodielectric composites based on quantum tunneling mechanism and dual-level traps

    Energy Technology Data Exchange (ETDEWEB)

    Li, Guochang; Chen, George, E-mail: gc@ecs.soton.ac.uk, E-mail: sli@mail.xjtu.edu.cn [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China); School of Electronic and Computer Science, University of Southampton, Southampton SO17 1BJ (United Kingdom); Li, Shengtao, E-mail: gc@ecs.soton.ac.uk, E-mail: sli@mail.xjtu.edu.cn [State Key Laboratory of Electrical Insulation and Power Equipment, Xi' an Jiaotong University, Xi' an 710049 (China)

    2016-08-08

    Charge transport properties in nanodielectrics present different tendencies for different loading concentrations. The exact mechanisms that are responsible for charge transport in nanodielectrics are not detailed, especially for high loading concentration. A charge transport model in nanodielectrics has been proposed based on quantum tunneling mechanism and dual-level traps. In the model, the thermally assisted hopping (TAH) process for the shallow traps and the tunnelling process for the deep traps are considered. For different loading concentrations, the dominant charge transport mechanisms are different. The quantum tunneling mechanism plays a major role in determining the charge conduction in nanodielectrics with high loading concentrations. While for low loading concentrations, the thermal hopping mechanism will dominate the charge conduction process. The model can explain the observed conductivity property in nanodielectrics with different loading concentrations.

  4. A simple model for electrical charge in globular macromolecules and linear polyelectrolytes in solution

    Science.gov (United States)

    Krishnan, M.

    2017-05-01

    We present a model for calculating the net and effective electrical charge of globular macromolecules and linear polyelectrolytes such as proteins and DNA, given the concentration of monovalent salt and pH in solution. The calculation is based on a numerical solution of the non-linear Poisson-Boltzmann equation using a finite element discretized continuum approach. The model simultaneously addresses the phenomena of charge regulation and renormalization, both of which underpin the electrostatics of biomolecules in solution. We show that while charge regulation addresses the true electrical charge of a molecule arising from the acid-base equilibria of its ionizable groups, charge renormalization finds relevance in the context of a molecule's interaction with another charged entity. Writing this electrostatic interaction free energy in terms of a local electrical potential, we obtain an "interaction charge" for the molecule which we demonstrate agrees closely with the "effective charge" discussed in charge renormalization and counterion-condensation theories. The predictions of this model agree well with direct high-precision measurements of effective electrical charge of polyelectrolytes such as nucleic acids and disordered proteins in solution, without tunable parameters. Including the effective interior dielectric constant for compactly folded molecules as a tunable parameter, the model captures measurements of effective charge as well as published trends of pKa shifts in globular proteins. Our results suggest a straightforward general framework to model electrostatics in biomolecules in solution. In offering a platform that directly links theory and experiment, these calculations could foster a systematic understanding of the interrelationship between molecular 3D structure and conformation, electrical charge and electrostatic interactions in solution. The model could find particular relevance in situations where molecular crystal structures are not available or

  5. Numerical modelling of needle-grid electrodes for negative surface corona charging system

    International Nuclear Information System (INIS)

    Zhuang, Y; Chen, G; Rotaru, M

    2011-01-01

    Surface potential decay measurement is a simple and low cost tool to examine electrical properties of insulation materials. During the corona charging stage, a needle-grid electrodes system is often used to achieve uniform charge distribution on the surface of the sample. In this paper, a model using COMSOL Multiphysics has been developed to simulate the gas discharge. A well-known hydrodynamic drift-diffusion model was used. The model consists of a set of continuity equations accounting for the movement, generation and loss of charge carriers (electrons, positive and negative ions) coupled with Poisson's equation to take into account the effect of space and surface charges on the electric field. Four models with the grid electrode in different positions and several mesh sizes are compared with a model that only has the needle electrode. The results for impulse current and surface charge density on the sample clearly show the effect of the extra grid electrode with various positions.

  6. Semi-empirical modelization of charge funneling in a NP diode

    International Nuclear Information System (INIS)

    Musseau, O.

    1991-01-01

    Heavy ion interaction with a semiconductor generates a high density of electrons and holes pairs along the trajectory and in a space charge zone the collected charge is considerably increased. The chronology of this charge funneling is described in a semi-empirical model. From initial conditions characterizing the incident ion and the studied structure, it is possible to evaluate directly the transient current, the collected charge and the length of funneling with a good agreement. The model can be extrapolated to more complex structures

  7. A Temperature Dependent Lumped-charge Model for Trench FS-IGBT

    DEFF Research Database (Denmark)

    Duan, Yaoqiang; Kang, Yong; Iannuzzo, Francesco

    2018-01-01

    Abstract: This paper proposes a temperature dependent lumped-charge model for FS-IGBT. Due to the evolution of the IGBT structure, the existing lumped-charge IGBT model established for NPT-IGBT is not suitable for the simulation of FS-IGBT. This paper extends the lumped-charge IGBT model including...... the field-stop (FS) structure and temperature characteristics. The temperature characteristics of the model are considered for both the bipolar part and unipolar part. In addition, a new PN junction model which can distinguish the collector structure is presented and validated by TCAD simulation. Finally...

  8. Modeling charge polarization voltage for large lithium-ion batteries in electric vehicles

    Directory of Open Access Journals (Sweden)

    Yan Jiang

    2013-06-01

    Full Text Available Purpose: Polarization voltage of the lithium-ion battery is an important parameter that has direct influence on battery performance. The paper aims to analyze the impedance characteristics of the lithium-ion battery based on EIS data. Design/methodology/approach: The effects of currents, initial SOC of the battery on charge polarization voltage are investigated, which is approximately linear function of charge current. The change of charge polarization voltage is also analyzed with the gradient analytical method in the SOC domain. The charge polarization model with two RC networks is presented, and parts of model parameters like Ohmic resistance and charge transfer impedance are estimated by both EIS method and battery constant current testing method. Findings: This paper reveals that the Ohmic resistance accounts for much contribution to battery total polarization compared to charge transfer impedance. Practical implications: Experimental results demonstrate the efficacy of the model with the proposed identification method, which provides the foundation for battery charging optimization. Originality/value: The paper analyzed the impedance characteristics of the lithium-ion battery based on EIS data, presented a charge polarization model with two RC networks, and estimated parameters like Ohmic resistance and charge transfer impedance.

  9. Optimal Day-ahead Charging Scheduling of Electric Vehicles through an Aggregative Game Model

    DEFF Research Database (Denmark)

    Liu, Zhaoxi; Wu, Qiuwei; Huang, Shaojun

    2017-01-01

    The electric vehicle (EV) market has been growing rapidly around the world. With large scale deployment of EVs in power systems, both the grid and EV owners will benefit if the flexible demand of EV charging is properly managed through the electricity market. When EV charging demand is considerable...... in a grid, it will impact spot prices in the electricity market and consequently influence the charging scheduling itself. The interaction between the spot prices and the EV demand needs to be considered in the EV charging scheduling, otherwise it will lead to a higher charging cost. A day-ahead EV charging...... scheduling based on an aggregative game model is proposed in this paper. The impacts of the EV demand on the electricity prices are formulated with the game model in the scheduling considering possible actions of other EVs. The existence and uniqueness of the pure strategy Nash equilibrium are proved...

  10. Rapid Charged Geosynchronous Debris Perturbation Modeling of Electrodynamic Disturbances

    Science.gov (United States)

    Hughes, Joseph; Schaub, Hanspeter

    2018-04-01

    Charged space objects experience small perturbative torques and forces from their interaction with Earth's magnetic field. These small perturbations can change the orbits of lightweight, uncontrolled debris objects dramatically even over short periods. This paper investigates the effects of the isolated Lorentz force, the effects of including or neglecting this and other electromagnetic perturbations in a full propagation, and then analyzes for which objects electromagnetic effects have the most impact. It is found that electromagnetic forces have a negligible impact on their own. However, if the center of charge is not collocated with the center of mass, electromagnetic torques are produced which do impact the attitude, and thus the position by affecting the direction and magnitude of the solar radiation pressure force. The objects for which electrostatic torques have the most influence are charged above the kilovolt level, have a difference between their center of mass and center of charge, have highly attitude-dependent cross-sectional area, and are not spinning stably about an axis of maximum inertia. Fully coupled numerical simulation illustrate the impact of electromagnetic disturbances through the solar radiation pressure coupling.

  11. Modeling charged defects inside density functional theory band gaps

    International Nuclear Information System (INIS)

    Schultz, Peter A.; Edwards, Arthur H.

    2014-01-01

    Density functional theory (DFT) has emerged as an important tool to probe microscopic behavior in materials. The fundamental band gap defines the energy scale for charge transition energy levels of point defects in ionic and covalent materials. The eigenvalue gap between occupied and unoccupied states in conventional DFT, the Kohn–Sham gap, is often half or less of the experimental band gap, seemingly precluding quantitative studies of charged defects. Applying explicit and rigorous control of charge boundary conditions in supercells, we find that calculations of defect energy levels derived from total energy differences give accurate predictions of charge transition energy levels in Si and GaAs, unhampered by a band gap problem. The GaAs system provides a good theoretical laboratory for investigating band gap effects in defect level calculations: depending on the functional and pseudopotential, the Kohn–Sham gap can be as large as 1.1 eV or as small as 0.1 eV. We find that the effective defect band gap, the computed range in defect levels, is mostly insensitive to the Kohn–Sham gap, demonstrating it is often possible to use conventional DFT for quantitative studies of defect chemistry governing interesting materials behavior in semiconductors and oxides despite a band gap problem

  12. Status of the charged Higgs boson in two Higgs doublet models

    Science.gov (United States)

    Arbey, A.; Mahmoudi, F.; Stål, O.; Stefaniak, T.

    2018-03-01

    The existence of charged Higgs boson(s) is inevitable in models with two (or more) Higgs doublets. Hence, their discovery would constitute unambiguous evidence for new physics beyond the Standard Model (SM). Taking into account all relevant results from direct charged and neutral Higgs boson searches at LEP and the LHC, as well as the most recent constraints from flavour physics, we present a detailed analysis of the current phenomenological status of the charged Higgs sector in a variety of well-motivated two Higgs doublet models (2HDMs). We find that charged Higgs bosons as light as 75 GeV can still be compatible with the combined data, although this implies severely suppressed charged Higgs couplings to all fermions. In more popular models, e.g. the 2HDM of Type II, we find that flavour physics observables impose a combined lower limit on the charged Higgs mass of M_{H^± } ≳ 600 GeV - independent of tan β - which increases to M_{H^± } ≳ 650 GeV for tan β < 1. We furthermore find that in certain scenarios, the signature of a charged Higgs boson decaying into a lighter neutral Higgs boson and a W boson provides a promising experimental avenue that would greatly complement the existing LHC search programme for charged Higgs boson(s).

  13. Integrated DEM-CFD modeling of the contact charging of pneumatically conveyed powders

    NARCIS (Netherlands)

    Korevaar, M.W.; Padding, J.T.; Hoef, van der M.A.; Kuipers, J.A.M.

    2014-01-01

    A model is proposed that incorporates contact charging (also known as triboelectric charging) of pneumatically conveyed powders in a DEM–CFD framework, which accounts for the electrostatic interactions, both between particles and between the particles and conducting walls. The simulation results

  14. Integrated DEM–CFD modeling of the contact charging of pneumatically conveyed powders

    NARCIS (Netherlands)

    Korevaar, M.W.; Padding, J.T.; van der Hoef, Martin Anton; Kuipers, J.A.M.

    2014-01-01

    A model is proposed that incorporates contact charging (also known as triboelectric charging) of pneumatically conveyed powders in a DEM–CFD framework, which accounts for the electrostatic interactions, both between particles and between the particles and conducting walls. The simulation results

  15. A surface diffuse scattering model for the mobility of electrons in surface charge coupled devices

    International Nuclear Information System (INIS)

    Ionescu, M.

    1977-01-01

    An analytical model for the mobility of electrons in surface charge coupled devices is studied on the basis of the results previously obtained, considering a surface diffuse scattering; the importance of the results obtained for a better understanding of the influence of the fringing field in surface charge coupled devices is discussed. (author)

  16. Status of the charged Higgs boson in two Higgs doublet models

    International Nuclear Information System (INIS)

    Arbey, A.; Mahmoudi, F.; Stefaniak, T.; Staal, O.

    2018-01-01

    The existence of charged Higgs boson(s) is inevitable in models with two (or more) Higgs doublets. Hence, their discovery would constitute unambiguous evidence for new physics beyond the Standard Model (SM). Taking into account all relevant results from direct charged and neutral Higgs boson searches at LEP and the LHC, as well as the most recent constraints from flavour physics, we present a detailed analysis of the current phenomenological status of the charged Higgs sector in a variety of well-motivated two Higgs doublet models (2HDMs). We find that charged Higgs bosons as light as 75 GeV can still be compatible with the combined data, although this implies severely suppressed charged Higgs couplings to all fermions. In more popular models, e.g. the 2HDM of Type II, we find that flavour physics observables impose a combined lower limit on the charged Higgs mass of M H ± > or similar 600 GeV - independent of tan β - which increases to M H ± > or similar 650 GeV for tan β < 1. We furthermore find that in certain scenarios, the signature of a charged Higgs boson decaying into a lighter neutral Higgs boson and a W boson provides a promising experimental avenue that would greatly complement the existing LHC search programme for charged Higgs boson(s). (orig.)

  17. Dynamics of Charged Particulate Systems Modeling, Theory and Computation

    CERN Document Server

    Zohdi, Tarek I

    2012-01-01

    The objective of this monograph is to provide a concise introduction to the dynamics of systems comprised of charged small-scale particles. Flowing, small-scale, particles ("particulates'') are ubiquitous in industrial processes and in the natural sciences. Applications include electrostatic copiers, inkjet printers, powder coating machines, etc., and a variety of manufacturing processes. Due to their small-scale size, external electromagnetic fields can be utilized to manipulate and control charged particulates in industrial processes in order to achieve results that are not possible by purely mechanical means alone. A unique feature of small-scale particulate flows is that they exhibit a strong sensitivity to interparticle near-field forces, leading to nonstandard particulate dynamics, agglomeration and cluster formation, which can strongly affect manufactured product quality. This monograph also provides an introduction to the mathematically-related topic of the dynamics of swarms of interacting objects, ...

  18. Anisotropic charged physical models with generalized polytropic equation of state

    Energy Technology Data Exchange (ETDEWEB)

    Nasim, A.; Azam, M. [University of Education, Division of Science and Technology, Lahore (Pakistan)

    2018-01-15

    In this paper, we found the exact solutions of Einstein-Maxwell equations with generalized polytropic equation of state (GPEoS). For this, we consider spherically symmetric object with charged anisotropic matter distribution. We rewrite the field equations into simple form through transformation introduced by Durgapal (Phys Rev D 27:328, 1983) and solve these equations analytically. For the physically acceptability of these solutions, we plot physical quantities like energy density, anisotropy, speed of sound, tangential and radial pressure. We found that all solutions fulfill the required physical conditions. It is concluded that all our results are reduced to the case of anisotropic charged matter distribution with linear, quadratic as well as polytropic equation of state. (orig.)

  19. Analytical estimation of effective charges at saturation in Poisson-Boltzmann cell models

    International Nuclear Information System (INIS)

    Trizac, Emmanuel; Aubouy, Miguel; Bocquet, Lyderic

    2003-01-01

    We propose a simple approximation scheme for computing the effective charges of highly charged colloids (spherical or cylindrical with infinite length). Within non-linear Poisson-Boltzmann theory, we start from an expression for the effective charge in the infinite-dilution limit which is asymptotically valid for large salt concentrations; this result is then extended to finite colloidal concentration, approximating the salt partitioning effect which relates the salt content in the suspension to that of a dialysing reservoir. This leads to an analytical expression for the effective charge as a function of colloid volume fraction and salt concentration. These results compare favourably with the effective charges at saturation (i.e. in the limit of large bare charge) computed numerically following the standard prescription proposed by Alexander et al within the cell model

  20. Effective charge model in the theory of infrared intensities and its application for study of charge di.stribution in the molecules of organometallic compounds

    International Nuclear Information System (INIS)

    Aleksanyan, V.T.; Samvelyan, S.Kh.

    1984-01-01

    General principles of plotting the parametric theory of IR spectrum intensities of polyatomic molecules are outlined. The development of the effective charges model in this theory is considered and the mathematical formalism of the first approximation of the method of effective atom charges is described in detail. The results of calculations of charges distribution in the Mo(CO) 6 , W(CO) 6 , Cp 2 V, Cp 2 Ru and others (Cp-cyclopentadiene), performed in the frame work of the outlined scheme are presented. It is shown that in the investigated carbonyles the effective charge on oxygen and metal atoms is negative, on carbon atom - positive. In dicyclopentavienyl complexes the effective charge on the metal atom is positive and is not over 0.6e; charge values on hydrogen and carbon atoms do not exceed, 0.10-0.15e. The notions of ''electrovalence'' of coordination bond and charge distribution in the case of metallocenes are not correlated

  1. Surface Complexation Modeling in Variable Charge Soils: Charge Characterization by Potentiometric Titration

    Directory of Open Access Journals (Sweden)

    Giuliano Marchi

    2015-10-01

    Full Text Available ABSTRACT Intrinsic equilibrium constants of 17 representative Brazilian Oxisols were estimated from potentiometric titration measuring the adsorption of H+ and OH− on amphoteric surfaces in suspensions of varying ionic strength. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. The former was fitted by calculating total site concentration from curve fitting estimates and pH-extrapolation of the intrinsic equilibrium constants to the PZNPC (hand calculation, considering one and two reactive sites, and by the FITEQL software. The latter was fitted only by FITEQL, with one reactive site. Soil chemical and physical properties were correlated to the intrinsic equilibrium constants. Both surface complexation models satisfactorily fit our experimental data, but for results at low ionic strength, optimization did not converge in FITEQL. Data were incorporated in Visual MINTEQ and they provide a modeling system that can predict protonation-dissociation reactions in the soil surface under changing environmental conditions.

  2. Charge distributions and correlations in fragmentation models for soft hadron collisions

    International Nuclear Information System (INIS)

    Wolf, E.A. de

    1984-01-01

    Data on charge distributions and charge correlations in pp and meson-proton interactions at PS and SPS energies are successfully compared with the Lund fragmentation model for low-psub(T) hadron collisions. It is argued that local conservation of quantum numbers and resonance production, as implemented in fragmentation models, are sufficient ingredients to explain most of the available experimental results at these energies. No necessity is found for dual-sheet contributions considered in DTU-based parton models. (orig.)

  3. Description of bipolar charge transport in polyethylene using a fluid model with a constant mobility: model prediction

    International Nuclear Information System (INIS)

    Le Roy, S; Segur, P; Teyssedre, G; Laurent, C

    2004-01-01

    We present a conduction model aimed at describing bipolar transport and space charge phenomena in low density polyethylene under dc stress. In the first part we recall the basic requirements for the description of charge transport and charge storage in disordered media with emphasis on the case of polyethylene. A quick review of available conduction models is presented and our approach is compared with these models. Then, the bases of the model are described and related assumptions are discussed. Finally, results on external current, trapped and free space charge distributions, field distribution and recombination rate are presented and discussed, considering a constant dc voltage, a step-increase of the voltage, and a polarization-depolarization protocol for the applied voltage. It is shown that the model is able to describe the general features reported for external current, electroluminescence and charge distribution in polyethylene

  4. Modeling of capacitor charging dynamics in an energy harvesting system considering accurate electromechanical coupling effects

    Science.gov (United States)

    Bagheri, Shahriar; Wu, Nan; Filizadeh, Shaahin

    2018-06-01

    This paper presents an iterative numerical method that accurately models an energy harvesting system charging a capacitor with piezoelectric patches. The constitutive relations of piezoelectric materials connected with an external charging circuit with a diode bridge and capacitors lead to the electromechanical coupling effect and the difficulty of deriving accurate transient mechanical response, as well as the charging progress. The proposed model is built upon the Euler-Bernoulli beam theory and takes into account the electromechanical coupling effects as well as the dynamic process of charging an external storage capacitor. The model is validated through experimental tests on a cantilever beam coated with piezoelectric patches. Several parametric studies are performed and the functionality of the model is verified. The efficiency of power harvesting system can be predicted and tuned considering variations in different design parameters. Such a model can be utilized to design robust and optimal energy harvesting system.

  5. An equivalent body surface charge model representing three-dimensional bioelectrical activity

    Science.gov (United States)

    He, B.; Chernyak, Y. B.; Cohen, R. J.

    1995-01-01

    A new surface-source model has been developed to account for the bioelectrical potential on the body surface. A single-layer surface-charge model on the body surface has been developed to equivalently represent bioelectrical sources inside the body. The boundary conditions on the body surface are discussed in relation to the surface-charge in a half-space conductive medium. The equivalent body surface-charge is shown to be proportional to the normal component of the electric field on the body surface just outside the body. The spatial resolution of the equivalent surface-charge distribution appears intermediate between those of the body surface potential distribution and the body surface Laplacian distribution. An analytic relationship between the equivalent surface-charge and the surface Laplacian of the potential was found for a half-space conductive medium. The effects of finite spatial sampling and noise on the reconstruction of the equivalent surface-charge were evaluated by computer simulations. It was found through computer simulations that the reconstruction of the equivalent body surface-charge from the body surface Laplacian distribution is very stable against noise and finite spatial sampling. The present results suggest that the equivalent body surface-charge model may provide an additional insight to our understanding of bioelectric phenomena.

  6. Combining an Electrothermal and Impedance Aging Model to Investigate Thermal Degradation Caused by Fast Charging

    Directory of Open Access Journals (Sweden)

    Joris de Hoog

    2018-03-01

    Full Text Available Fast charging is an exciting topic in the field of electric and hybrid electric vehicles (EVs/HEVs. In order to achieve faster charging times, fast-charging applications involve high-current profiles which can lead to high cell temperature increase, and in some cases thermal runaways. There has been some research on the impact caused by fast-charging profiles. This research is mostly focused on the electrical, thermal and aging aspects of the cell individually, but these factors are never treated together. In this paper, the thermal progression of the lithium-ion battery under specific fast-charging profiles is investigated and modeled. The cell is a Lithium Nickel Manganese Cobalt Oxide/graphite-based cell (NMC rated at 20 Ah, and thermal images during fast-charging have been taken at four degradation states: 100%, 90%, 85%, and 80% State-of-Health (SoH. A semi-empirical resistance aging model is developed using gathered data from extensive cycling and calendar aging tests, which is coupled to an electrothermal model. This novel combined model achieves good agreement with the measurements, with simulation results always within 2 °C of the measured values. This study presents a modeling methodology that is usable to predict the potential temperature distribution for lithium-ion batteries (LiBs during fast-charging profiles at different aging states, which would be of benefit for Battery Management Systems (BMS in future thermal strategies.

  7. An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles.

    Directory of Open Access Journals (Sweden)

    Yongjun Ahn

    Full Text Available The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station's density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive

  8. An Analytical Planning Model to Estimate the Optimal Density of Charging Stations for Electric Vehicles.

    Science.gov (United States)

    Ahn, Yongjun; Yeo, Hwasoo

    2015-01-01

    The charging infrastructure location problem is becoming more significant due to the extensive adoption of electric vehicles. Efficient charging station planning can solve deeply rooted problems, such as driving-range anxiety and the stagnation of new electric vehicle consumers. In the initial stage of introducing electric vehicles, the allocation of charging stations is difficult to determine due to the uncertainty of candidate sites and unidentified charging demands, which are determined by diverse variables. This paper introduces the Estimating the Required Density of EV Charging (ERDEC) stations model, which is an analytical approach to estimating the optimal density of charging stations for certain urban areas, which are subsequently aggregated to city level planning. The optimal charging station's density is derived to minimize the total cost. A numerical study is conducted to obtain the correlations among the various parameters in the proposed model, such as regional parameters, technological parameters and coefficient factors. To investigate the effect of technological advances, the corresponding changes in the optimal density and total cost are also examined by various combinations of technological parameters. Daejeon city in South Korea is selected for the case study to examine the applicability of the model to real-world problems. With real taxi trajectory data, the optimal density map of charging stations is generated. These results can provide the optimal number of chargers for driving without driving-range anxiety. In the initial planning phase of installing charging infrastructure, the proposed model can be applied to a relatively extensive area to encourage the usage of electric vehicles, especially areas that lack information, such as exact candidate sites for charging stations and other data related with electric vehicles. The methods and results of this paper can serve as a planning guideline to facilitate the extensive adoption of electric

  9. Charge retention in scaled SONOS nonvolatile semiconductor memory devices—Modeling and characterization

    Science.gov (United States)

    Hu, Yin; White, Marvin H.

    1993-10-01

    A new analytical model is developed to investigate the influence of the charge loss processes in the retention mode of the SONOS NVSM device. The model considers charge loss by the following processes: (1) electron back-tunneling from the nitride traps to the Si conduction band, (2) electron back-tunneling from the nitride traps to the Si/SiO 2 interface traps and (3) hole injection from the Si valence band to the nitride traps. An amphoteric trap charge distribution is used in this model. The new charge retention model predicts that process (1) determines the short term retention, while processes (2) and (3) determine the long term retention. Good agreement has been reached between the results of analytical calculations and the experimental retention data on both surface channel and buried channel SONOS devices.

  10. Modeling space-charge-limited currents in organic semiconductors: Extracting trap density and mobility

    KAUST Repository

    Dacuñ a, Javier; Salleo, Alberto

    2011-01-01

    We have developed and have applied a mobility edge model that takes drift and diffusion currents to characterize the space-charge-limited current in organic semiconductors into account. The numerical solution of the drift-diffusion equation allows

  11. Squeezout phenomena and boundary layer formation of a model ionic liquid under confinement and charging

    Science.gov (United States)

    Capozza, R.; Vanossi, A.; Benassi, A.; Tosatti, E.

    2015-02-01

    Electrical charging of parallel plates confining a model ionic liquid down to nanoscale distances yields a variety of charge-induced changes in the structural features of the confined film. That includes even-odd switching of the structural layering and charging-induced solidification and melting, with important changes of local ordering between and within layers, and of squeezout behavior. By means of molecular dynamics simulations, we explore this variety of phenomena in the simplest charged Lennard-Jones coarse-grained model including or excluding the effect a neutral tail giving an anisotropic shape to one of the model ions. Using these models and open conditions permitting the flow of ions in and out of the interplate gap, we simulate the liquid squeezout to obtain the distance dependent structure and forces between the plates during their adiabatic approach under load. Simulations at fixed applied force illustrate an effective electrical pumping of the ionic liquid, from a thick nearly solid film that withstands the interplate pressure for high plate charge to complete squeezout following melting near zero charge. Effective enthalpy curves obtained by integration of interplate forces versus distance show the local minima that correspond to layering and predict the switching between one minimum and another under squeezing and charging.

  12. An advanced Lithium-ion battery optimal charging strategy based on a coupled thermoelectric model

    International Nuclear Information System (INIS)

    Liu, Kailong; Li, Kang; Yang, Zhile; Zhang, Cheng; Deng, Jing

    2017-01-01

    Lithium-ion batteries are widely adopted as the power supplies for electric vehicles. A key but challenging issue is to achieve optimal battery charging, while taking into account of various constraints for safe, efficient and reliable operation. In this paper, a triple-objective function is first formulated for battery charging based on a coupled thermoelectric model. An advanced optimal charging strategy is then proposed to develop the optimal constant-current-constant-voltage (CCCV) charge current profile, which gives the best trade-off among three conflicting but important objectives for battery management. To be specific, a coupled thermoelectric battery model is first presented. Then, a specific triple-objective function consisting of three objectives, namely charging time, energy loss, and temperature rise (both the interior and surface), is proposed. Heuristic methods such as Teaching-learning-based-optimization (TLBO) and particle swarm optimization (PSO) are applied to optimize the triple-objective function, and their optimization performances are compared. The impacts of the weights for different terms in the objective function are then assessed. Experimental results show that the proposed optimal charging strategy is capable of offering desirable effective optimal charging current profiles and a proper trade-off among the conflicting objectives. Further, the proposed optimal charging strategy can be easily extended to other battery types.

  13. Charged-current inclusive neutrino cross sections in the SuperScaling model

    Energy Technology Data Exchange (ETDEWEB)

    Ivanov, M. V., E-mail: martin.inrne@gmail.com [Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, Sofia 1784 (Bulgaria); Grupo de Física Nuclear, Departamento de Física Atómica, Molecular y Nuclear, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, Madrid E-28040 (Spain); Megias, G. D.; Caballero, J. A. [Departamento de Física Atómica, Molecular y Nuclear, Universidad de Sevilla, 41080 Sevilla (Spain); González-Jiménez, R. [Department of Physics and Astronomy, Ghent University, Proeftuinstraat 86, B-9000 Gent (Belgium); Moreno, O.; Donnelly, T. W. [Center for Theoretical Physics, Laboratory for Nuclear Science and Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Barbaro, M. B. [Dipartimento di Fisica, Università di Torino and INFN, Sezione di Torino, Via P. Giuria 1, 10125 Torino (Italy); Antonov, A. N. [Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, Sofia 1784 (Bulgaria); Moya de Guerra, E.; Udías, J. M. [Grupo de Física Nuclear, Departamento de Física Atómica, Molecular y Nuclear, Facultad de Ciencias Físicas, Universidad Complutense de Madrid, Madrid E-28040 (Spain)

    2016-03-25

    SuperScaling model (SuSA) predictions to neutrino-induced charged-current π{sup +} production in the Δ-resonance region are explored under MiniBooNE experimental conditions. The SuSA charged-current π{sup +} results are in good agreement with data on neutrino flux-averaged double-differential cross sections. The SuSA model for quasielastic scattering and its extension to the pion production region are used for predictions of charged-current inclusive neutrino-nucleus cross sections. Results are also compared with the T2K experimental data for inclusive scattering.

  14. Morphological Analysis on Business Model of Electric Vehicles Charging Infrastructure in China

    DEFF Research Database (Denmark)

    Li, Suxiu; Liu, Yingqi; Wang, Jingyu

    2016-01-01

    of EVs charging infrastructure business model for China, and takes the city Shenzhen as a case study. The research shows that we can achieve EVs Charging infrastructure business model innovation by combining design possibility on the right side of morphological box as much as possible.......The issues of energy crisis and environment pollution have paved opportunities to electric vehicles (EVs), many countries take it as an effective way to reducing the depletion of fossil fuels and CO2 emissions. As the energy supply of electric vehicles, the development of charging infrastructure...

  15. Beta functions and central charge of supersymmetric sigma models with torsion

    International Nuclear Information System (INIS)

    Guadagnini, E.; Mintchev, M.

    1987-01-01

    We present a method for the computation of the renormalization group β-functions and the central charge in two-dimensional supersymmetric sigma models in a gravitational background. The two-loops results are exhibited. We use the Pauli-Villars regularization which preserves supersymmetry and permits an unambiguous treatment of the model with torsion. The central charge we derive for a general manifold is in agreement with the expression found on group manifolds. (orig.)

  16. Charge asymmetry in e+e- → γ + hadrons: New tests of the quark-parton model and fractional charge

    International Nuclear Information System (INIS)

    Brodsky, S.J.; Carlson, C.E.; Suaya, R.

    1976-01-01

    We consider the process e + e - → γ + h + X, where h is a hadron and γ is a hard photon, and show how it can be used to test the quark-parton model. Detailed formulas are given for the cross sections, which in the quark-parton model are products of cross sections for e + e - → γμanti μ and quark breakup functions. We focus on the asymmetry between h and h-bar production, and display sum rules and ratio tests which measure the quark charge, the quark Compton amplitude, and the large-x behavior of the quark breakup function. The asymmetry is calculated for the muon case, and is about 100% for the forward direction

  17. A n-vector model for charge transport in molecular semiconductors.

    Science.gov (United States)

    Jackson, Nicholas E; Kohlstedt, Kevin L; Chen, Lin X; Ratner, Mark A

    2016-11-28

    We develop a lattice model utilizing coarse-grained molecular sites to study charge transport in molecular semiconducting materials. The model bridges atomistic descriptions and structureless lattice models by mapping molecular structure onto sets of spatial vectors isomorphic with spin vectors in a classical n-vector Heisenberg model. Specifically, this model incorporates molecular topology-dependent orientational and intermolecular coupling preferences, including the direct inclusion of spatially correlated transfer integrals and site energy disorder. This model contains the essential physics required to explicitly simulate the interplay of molecular topology and correlated structural disorder, and their effect on charge transport. As a demonstration of its utility, we apply this model to analyze the effects of long-range orientational correlations, molecular topology, and intermolecular interaction strength on charge motion in bulk molecular semiconductors.

  18. Complexation of metal ions with humic acid: charge neutralization model

    International Nuclear Information System (INIS)

    Kim, J.I.; Czerwinski, K.R.

    1995-01-01

    A number of different approaches are being used for describing the complexation equilibrium of actinide ions with humic or fulvic acid. The approach chosen and verified experimentally by Tu Muenchen will be discussed with notable examples from experiment. This approach is based on the conception that a given actinide ion is neutralized upon complexation with functional groups of humic or fulvic acid, e.g. carboxylic and phenolic groups, which are known as heterogeneously cross-linked polyelectrolytes. The photon energy transfer experiment with laser light excitation has shown that the actinide ion binding with the functional groups is certainly a chelation process accompanied by metal ion charge neutralization. This fact is in accordance with the experimental evidence of the postulated thermodynamic equilibrium reaction. The experimental results are found to be independent of origin of humic or fulvic acid and applicable for a broad range of pH. (authors). 23 refs., 7 figs., 1 tab

  19. Model for diffusion of a narrow beam of charged particles

    International Nuclear Information System (INIS)

    Eisenhauer, C.

    1980-01-01

    A simple analytic expression is presented to describe the three-dimensioned spatial distribution of flux or energy deposition by a narrow beam of charged particles. In this expression distances are expressed in terms of a scaling parameter that is proportional to the mean square scattering angle in a single collision. Finite ranges are expressed in terms of the continuous-slowing-down range. Track-length distributions for one-velocity particles and energy deposition for electrons are discussed. Comparisons with rigorous Monte Carlo calculations show that departures from the analytic expression can be expressed as a slowly varying function of order unity. This function can be used as a basis for interpolation over a wide range of source energies and materials

  20. 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

  1. Working fluid charge oriented off-design modeling of a small scale Organic Rankine Cycle system

    International Nuclear Information System (INIS)

    Liu, Liuchen; Zhu, Tong; Ma, Jiacheng

    2017-01-01

    Highlights: • Organic Rankine Cycle model considering working fluid charge has been established. • Overall solution algorithm of system off-design performance is proposed. • Variation trend of different zones in both heat exchangers can be observed. • Optimal working fluid charge volume for different output work has been estimated. - Abstract: Organic Rankine Cycle system is one of the most widely used technique for low-grade waste heat recovery. Developing of dynamic Organic Rankine Cycle models played an increasingly important part in system performance prediction. The present paper developed a working fluid charge oriented model for an small scale Organic Rankine Cycle to calculate the theoretical value of working fluid charge level for the system under rated condition. The two heat exchangers are divided into three different zones and related heat transfer correlations are employed to estimate the length variation of each zones. Steady state models have been applied to describe the performance of pump and expander. Afterwards, an overall solution algorithm based on the established model has been proposed in order to exact simulate the system’s off-design performance. Additionally, the impact of different working fluid charge volumes has also been discussed. Simulation results clearly shows the variation trend of different zones in both heat exchangers, as well as the variation trend of system operating parameters under various expander output work. Furthermore, the highest thermal efficiency can be reached 6.37% under rated conditions with a working fluid charge volume of 34.6 kg.

  2. Charged particle emission: the Child-Langmuir model

    International Nuclear Information System (INIS)

    Degond, P.; Raviart, P.A.

    1993-01-01

    The recent mathematical results concerning boundary emission modelling are reviewed with a synthetical view. The plane diode case is first studied; the Child-Langmuir model is then characterized as the limit to an absolutely non standard singular perturbation problem and is associated with approximate models (constrained and penalized models) which may be easily generalized in more realistic cases; an iterative solution method for the penalized problem is studied. The derived Child-Langmuir model is extended to the cylindrical diode case and to an arbitrary geometry case: constrained and penalized models related to the stationary Vlasov-Poisson equations are studied and extended to the Vlasov-Maxwell evolution equation general case

  3. Modeling plug-in electric vehicle charging demand with BEAM: the framework for behavior energy autonomy mobility

    Energy Technology Data Exchange (ETDEWEB)

    Sheppard, Colin; Waraich, Rashid; Campbell, Andrew; Pozdnukov, Alexei; Gopal, Anand R.

    2017-05-01

    This report summarizes the BEAM modeling framework (Behavior, Energy, Mobility, and Autonomy) and its application to simulating plug-in electric vehicle (PEV) mobility, energy consumption, and spatiotemporal charging demand. BEAM is an agent-based model of PEV mobility and charging behavior designed as an extension to MATSim (the Multi-Agent Transportation Simulation model). We apply BEAM to the San Francisco Bay Area and conduct a preliminary calibration and validation of its prediction of charging load based on observed charging infrastructure utilization for the region in 2016. We then explore the impact of a variety of common modeling assumptions in the literature regarding charging infrastructure availability and driver behavior. We find that accurately reproducing observed charging patterns requires an explicit representation of spatially disaggregated charging infrastructure as well as a more nuanced model of the decision to charge that balances tradeoffs people make with regards to time, cost, convenience, and range anxiety.

  4. Electrical charging effects on the sliding friction of a model nano-confined ionic liquid

    Energy Technology Data Exchange (ETDEWEB)

    Capozza, R.; Vanossi, A. [International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste (Italy); CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136 Trieste (Italy); Benassi, A. [CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136 Trieste (Italy); Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062 Dresden (Germany); Tosatti, E. [International School for Advanced Studies (SISSA), Via Bonomea 265, 34136 Trieste (Italy); CNR-IOM Democritos National Simulation Center, Via Bonomea 265, 34136 Trieste (Italy); International Centre for Theoretical Physics (ICTP), Strada Costiera 11, 34014 Trieste (Italy)

    2015-10-14

    Recent measurements suggest the possibility to exploit ionic liquids (ILs) as smart lubricants for nano-contacts, tuning their tribological and rheological properties by charging the sliding interfaces. Following our earlier theoretical study of charging effects on nanoscale confinement and squeezout of a model IL, we present here molecular dynamics simulations of the frictional and lubrication properties of that model under charging conditions. First, we describe the case when two equally charged plates slide while being held together to a confinement distance of a few molecular layers. The shear sliding stress is found to rise strongly and discontinuously as the number of IL layers decreases stepwise. However, the shear stress shows, within each given number of layers, only a weak dependence upon the precise value of the normal load, a result in agreement with data extracted from recent experiments. We subsequently describe the case of opposite charging of the sliding plates and follow the shear stress when the charging is slowly and adiabatically reversed in the course of time, under fixed load. Despite the fixed load, the number and structure of the confined IL layers change with changing charge, and that in turn drives strong friction variations. The latter involves first of all charging-induced freezing of the IL film, followed by a discharging-induced melting, both made possible by the nanoscale confinement. Another mechanism for charging-induced frictional changes is a shift of the plane of maximum shear from mid-film to the plate-film interface, and vice versa. While these occurrences and results invariably depend upon the parameters of the model IL and upon its specific interaction with the plates, the present study helps identifying a variety of possible behavior, obtained under very simple assumptions, while connecting it to an underlying equilibrium thermodynamics picture.

  5. Currents, charges, and canonical structure of pseudodual chiral models

    International Nuclear Information System (INIS)

    Curtright, T.; Zachos, C.

    1994-01-01

    We discuss the pseudodual chiral model to illustrate a class of two-dimensional theories which have an infinite number of conservation laws but allow particle production, at variance with naive expectations. We describe the symmetries of the pseudodual model, both local and nonlocal, as transmutations of the symmetries of the usual chiral model. We refine the conventional algorithm to more efficiently produce the nonlocal symmetries of the model, and we discuss the complete local current algebra for the pseudodual theory. We also exhibit the canonical transformation which connects the usual chiral model to its fully equivalent dual, further distinguishing the pseudodual theory

  6. Business Models for Solar Powered Charging Stations to Develop Infrastructure for Electric Vehicles

    Directory of Open Access Journals (Sweden)

    Jessica Robinson

    2014-10-01

    Full Text Available Electric power must become less dependent on fossil fuels and transportation must become more electric to decrease carbon emissions and mitigate climate change. Increasing availability and accessibility of charging stations is predicted to increase purchases of electric vehicles. In order to address the current inadequate charging infrastructure for electric vehicles, major entities must adopt business models for solar powered charging stations (SPCS. These SPCS should be located in parking lots to produce electricity for the grid and provide an integrated infrastructure for charging electric vehicles. Due to the lack of information related to SPCS business models, this manuscript designs several models for major entities including industry, the federal and state government, utilities, universities, and public parking. A literature review of the available relevant business models and case studies of constructed charging stations was completed to support the proposals. In addition, a survey of a university’s students, staff, and faculty was conducted to provide consumer research on people’s opinion of SPCS construction and preference of business model aspects. Results showed that 69% of respondents would be more willing to invest in an electric vehicle if there was sufficient charging station infrastructure at the university. Among many recommendations, the business models suggest installing level 1 charging for the majority of entities, and to match entities’ current pricing structures for station use. The manuscript discusses the impacts of fossil fuel use, and the benefits of electric car and SPCS use, accommodates for the present gap in available literature on SPCS business models, and provides current consumer data for SPCS and the models proposed.

  7. Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies.

    Science.gov (United States)

    Bardhan, Jaydeep P; Jungwirth, Pavel; Makowski, Lee

    2012-09-28

    Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular "linear response" model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution).

  8. Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies

    Science.gov (United States)

    Bardhan, Jaydeep P.; Jungwirth, Pavel; Makowski, Lee

    2012-01-01

    Two mechanisms have been proposed to drive asymmetric solvent response to a solute charge: a static potential contribution similar to the liquid-vapor potential, and a steric contribution associated with a water molecule's structure and charge distribution. In this work, we use free-energy perturbation molecular-dynamics calculations in explicit water to show that these mechanisms act in complementary regimes; the large static potential (∼44 kJ/mol/e) dominates asymmetric response for deeply buried charges, and the steric contribution dominates for charges near the solute-solvent interface. Therefore, both mechanisms must be included in order to fully account for asymmetric solvation in general. Our calculations suggest that the steric contribution leads to a remarkable deviation from the popular “linear response” model in which the reaction potential changes linearly as a function of charge. In fact, the potential varies in a piecewise-linear fashion, i.e., with different proportionality constants depending on the sign of the charge. This discrepancy is significant even when the charge is completely buried, and holds for solutes larger than single atoms. Together, these mechanisms suggest that implicit-solvent models can be improved using a combination of affine response (an offset due to the static potential) and piecewise-linear response (due to the steric contribution). PMID:23020318

  9. 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.

  10. A kinetic Monte Carlo model with improved charge injection model for the photocurrent characteristics of organic solar cells

    Science.gov (United States)

    Kipp, Dylan; Ganesan, Venkat

    2013-06-01

    We develop a kinetic Monte Carlo model for photocurrent generation in organic solar cells that demonstrates improved agreement with experimental illuminated and dark current-voltage curves. In our model, we introduce a charge injection rate prefactor to correct for the electrode grid-size and electrode charge density biases apparent in the coarse-grained approximation of the electrode as a grid of single occupancy, charge-injecting reservoirs. We use the charge injection rate prefactor to control the portion of dark current attributed to each of four kinds of charge injection. By shifting the dark current between electrode-polymer pairs, we align the injection timescales and expand the applicability of the method to accommodate ohmic energy barriers. We consider the device characteristics of the ITO/PEDOT/PSS:PPDI:PBTT:Al system and demonstrate the manner in which our model captures the device charge densities unique to systems with small injection energy barriers. To elucidate the defining characteristics of our model, we first demonstrate the manner in which charge accumulation and band bending affect the shape and placement of the various current-voltage regimes. We then discuss the influence of various model parameters upon the current-voltage characteristics.

  11. 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

  12. Charge state evolution in the solar wind. III. Model comparison with observations

    Energy Technology Data Exchange (ETDEWEB)

    Landi, E.; Oran, R.; Lepri, S. T.; Zurbuchen, T. H.; Fisk, L. A.; Van der Holst, B. [Department of Atmospheric, Oceanic and Space Sciences, University of Michigan, Ann Arbor, MI 48109 (United States)

    2014-08-01

    We test three theoretical models of the fast solar wind with a set of remote sensing observations and in-situ measurements taken during the minimum of solar cycle 23. First, the model electron density and temperature are compared to SOHO/SUMER spectroscopic measurements. Second, the model electron density, temperature, and wind speed are used to predict the charge state evolution of the wind plasma from the source regions to the freeze-in point. Frozen-in charge states are compared with Ulysses/SWICS measurements at 1 AU, while charge states close to the Sun are combined with the CHIANTI spectral code to calculate the intensities of selected spectral lines, to be compared with SOHO/SUMER observations in the north polar coronal hole. We find that none of the theoretical models are able to completely reproduce all observations; namely, all of them underestimate the charge state distribution of the solar wind everywhere, although the levels of disagreement vary from model to model. We discuss possible causes of the disagreement, namely, uncertainties in the calculation of the charge state evolution and of line intensities, in the atomic data, and in the assumptions on the wind plasma conditions. Last, we discuss the scenario where the wind is accelerated from a region located in the solar corona rather than in the chromosphere as assumed in the three theoretical models, and find that a wind originating from the corona is in much closer agreement with observations.

  13. Charge state evolution in the solar wind. III. Model comparison with observations

    International Nuclear Information System (INIS)

    Landi, E.; Oran, R.; Lepri, S. T.; Zurbuchen, T. H.; Fisk, L. A.; Van der Holst, B.

    2014-01-01

    We test three theoretical models of the fast solar wind with a set of remote sensing observations and in-situ measurements taken during the minimum of solar cycle 23. First, the model electron density and temperature are compared to SOHO/SUMER spectroscopic measurements. Second, the model electron density, temperature, and wind speed are used to predict the charge state evolution of the wind plasma from the source regions to the freeze-in point. Frozen-in charge states are compared with Ulysses/SWICS measurements at 1 AU, while charge states close to the Sun are combined with the CHIANTI spectral code to calculate the intensities of selected spectral lines, to be compared with SOHO/SUMER observations in the north polar coronal hole. We find that none of the theoretical models are able to completely reproduce all observations; namely, all of them underestimate the charge state distribution of the solar wind everywhere, although the levels of disagreement vary from model to model. We discuss possible causes of the disagreement, namely, uncertainties in the calculation of the charge state evolution and of line intensities, in the atomic data, and in the assumptions on the wind plasma conditions. Last, we discuss the scenario where the wind is accelerated from a region located in the solar corona rather than in the chromosphere as assumed in the three theoretical models, and find that a wind originating from the corona is in much closer agreement with observations.

  14. Adler-type sum rule, charge symmetry and neutral current in general multi-triplet model

    International Nuclear Information System (INIS)

    Katuya, Mituaki; Baba, Yoshimitsu; Fujii, Kanji

    1975-01-01

    We derive Adler-type sum rule extended to general multi-triplet model. Paying attention to roles of the colour degree of freedom, we discuss the charge symmetry property of the weak charged current and the structure functions for ν(ν - )+N→l(l - )+X, and also the structure of the neutral current. A comment is given on implications in our theory of Koike and Konuma's result on the neutral hadronic current. (auth.)

  15. Modelling of the charge carrier mobility in disordered linear polymer materials

    Czech Academy of Sciences Publication Activity Database

    Toman, Petr; Menšík, Miroslav; Bartkowiak, W.; Pfleger, Jiří

    2017-01-01

    Roč. 19, č. 11 (2017), s. 7760-7771 ISSN 1463-9076 R&D Projects: GA ČR(CZ) GA15-05095S Grant - others:AV ČR(CZ) M200501204 Program:M Institutional support: RVO:61389013 Keywords : charge carrier mobility * conjugated polymer * charge transport modelling Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.123, year: 2016

  16. Fermion local charged boson model and cuprate superconductors

    International Nuclear Information System (INIS)

    Sinha, K.P.; Kakani, S.L.

    2002-01-01

    One of the most exciting developments in Science in past few years is the discovery of high temperature superconductivity (HTSC) in cuprates. It has been observed that the superconducting state in these cuprates is rather normal compared to the anomalous normal state. This discovery has led to deluge of experimental and theoretical researches all along the world. These cuprates are close to metal-insulator transition and the stability of the insulating and metallic phase depends on the degree of doping. Measurements of physical properties of these systems have revealed many anomalous results both in the superconducting and normal states, e.g. d-wave superconducting gap, the presence of pseudo gap in the normal state, static or dynamic striped structure of CuO 2 planes etc. These have posed serious theoretical challenges towards formulating the mechanisms of pairing and explanation of anomalous behaviour. Several theoretical proposals have been advanced and only a few are likely to survive in the teeth of some reliable experimental data. A combined mechanism mediated by phonons and lochons (local charged bosons, local pairs or bipolarons) for the pairing of fermions (holes or electrons) belonging to a wide band provides a microscopic explanation of anomalous normal state properties of HTSC cuprates and vindicates features of the phenomenological marginal Fermi liquid formulation. In the present review article detailed features of combined lochon and phonon mediated pairing mechanism are presented and a contact with the normal and superconducting state properties of HTSC in YBa 2 Cu 3 O x does indicate pair hopping between planes via such resonant centres lying in between the CuO 2 planes. (author)

  17. Sectional modeling of nanoparticle size and charge distributions in dusty plasmas

    International Nuclear Information System (INIS)

    Agarwal, Pulkit; Girshick, Steven L

    2012-01-01

    Sectional models of the dynamics of aerosol populations are well established in the aerosol literature but have received relatively less attention in numerical models of dusty plasmas, where most modeling studies have assumed the existence of monodisperse dust particles. In the case of plasmas in which nanoparticles nucleate and grow, significant polydispersity can exist in particle size distributions, and stochastic charging can cause particles of given size to have a broad distribution of charge states. Sectional models, while computationally expensive, are well suited to treating such distributions. This paper presents an overview of sectional modeling of nanodusty plasmas, and presents examples of simulation results that reveal important qualitative features of the spatiotemporal evolution of such plasmas, many of which could not be revealed by models that consider only monodisperse dust particles and average particle charge. These features include the emergence of bimodal particle populations consisting of very small neutral particles and larger negatively charged particles, the effects of size and charge distributions on coagulation, spreading and structure of the particle cloud, and the dynamics of dusty plasma afterglows. (paper)

  18. Charged ρ Meson Condensate in Neutron Stars within RMF Models

    Directory of Open Access Journals (Sweden)

    Konstantin A. Maslov

    2017-12-01

    Full Text Available Knowledge of the equation of state (EoS of cold and dense baryonic matter is essential for the description of properties of neutron stars (NSs. With an increase of the density, new baryon species can appear in NS matter, as well as various meson condensates. In previous works, we developed relativistic mean-field (RMF models with hyperons and Δ -isobars, which passed the majority of known experimental constraints, including the existence of a 2 M ⊙ neutron star. In this contribution, we present results of the inclusion of ρ − -meson condensation into these models. We have shown that, in one class of the models (so-called KVOR-based models, in which the additional stiffening procedure is introduced in the isoscalar sector, the condensation gives only a small contribution to the EoS. In another class of the models (MKVOR-based models with additional stiffening in isovector sector, the condensation can lead to a first-order phase transition and a substantial decrease of the NS mass. Nevertheless, in all resulting models, the condensation does not spoil the description of the experimental constraints.

  19. Computational models of an inductive power transfer system for electric vehicle battery charge

    Science.gov (United States)

    Anele, A. O.; Hamam, Y.; Chassagne, L.; Linares, J.; Alayli, Y.; Djouani, K.

    2015-09-01

    One of the issues to be solved for electric vehicles (EVs) to become a success is the technical solution of its charging system. In this paper, computational models of an inductive power transfer (IPT) system for EV battery charge are presented. Based on the fundamental principles behind IPT systems, 3 kW single phase and 22 kW three phase IPT systems for Renault ZOE are designed in MATLAB/Simulink. The results obtained based on the technical specifications of the lithium-ion battery and charger type of Renault ZOE show that the models are able to provide the total voltage required by the battery. Also, considering the charging time for each IPT model, they are capable of delivering the electricity needed to power the ZOE. In conclusion, this study shows that the designed computational IPT models may be employed as a support structure needed to effectively power any viable EV.

  20. Computational models of an inductive power transfer system for electric vehicle battery charge

    International Nuclear Information System (INIS)

    Anele, A O; Hamam, Y; Djouani, K; Chassagne, L; Alayli, Y; Linares, J

    2015-01-01

    One of the issues to be solved for electric vehicles (EVs) to become a success is the technical solution of its charging system. In this paper, computational models of an inductive power transfer (IPT) system for EV battery charge are presented. Based on the fundamental principles behind IPT systems, 3 kW single phase and 22 kW three phase IPT systems for Renault ZOE are designed in MATLAB/Simulink. The results obtained based on the technical specifications of the lithium-ion battery and charger type of Renault ZOE show that the models are able to provide the total voltage required by the battery. Also, considering the charging time for each IPT model, they are capable of delivering the electricity needed to power the ZOE. In conclusion, this study shows that the designed computational IPT models may be employed as a support structure needed to effectively power any viable EV. (paper)

  1. Pion-nucleus double charge exchange and the nuclear shell model

    International Nuclear Information System (INIS)

    Auerbach, N.; Gibbs, W.R.; Ginocchio, J.N.; Kaufmann, W.B.

    1988-01-01

    The pion-nucleus double charge exchange reaction is studied with special emphasis on nuclear structure. The reaction mechanism and nuclear structure aspects of the process are separated using both the plane-wave and distorted-wave impulse approximations. Predictions are made employing both the seniority model and a full shell model (with a single active orbit). Transitions to the double analog state and to the ground state of the residual nucleus are computed. The seniority model yields particularly simple relations among double charge exchange cross sections for nuclei within the same shell. Limitations of the seniority model and of the plane-wave impulse approximation are discussed as well as extensions to the generalized seniority scheme. Applications of the foregoing ideas to single charge exchange are also presented

  2. Multiphasic modeling of charged solute transport across articular cartilage: Application of multi-zone finite-bath model.

    Science.gov (United States)

    Arbabi, Vahid; Pouran, Behdad; Weinans, Harrie; Zadpoor, Amir A

    2016-06-14

    Charged and uncharged solutes penetrate through cartilage to maintain the metabolic function of chondrocytes and to possibly restore or further breakdown the cartilage tissue in different stages of osteoarthritis. In this study the transport of charged solutes across the various zones of cartilage was quantified, taken into account the physicochemical interactions between the solute and the cartilage constituents. A multiphasic finite-bath finite element (FE) model was developed to simulate equine cartilage diffusion experiments that used a negatively charged contrast agent (ioxaglate) in combination with serial micro-computed tomography (micro-CT) to measure the diffusion. By comparing the FE model with the experimental data both the diffusion coefficient of ioxaglate and the fixed charge density (FCD) were obtained. In the multiphasic model, cartilage was divided into multiple (three) zones to help understand how diffusion coefficient and FCD vary across cartilage thickness. The direct effects of charged solute-FCD interaction on diffusion were investigated by comparing the diffusion coefficients derived from the multiphasic and biphasic-solute models. We found a relationship between the FCD obtained by the multiphasic model and ioxaglate partitioning obtained from micro-CT experiments. Using our multi-zone multiphasic model, diffusion coefficient of the superficial zone was up to ten-fold higher than that of the middle zone, while the FCD of the middle zone was up to almost two-fold higher than that of the superficial zone. In conclusion, the developed finite-bath multiphasic model provides us with a non-destructive method by which we could obtain both diffusion coefficient and FCD of different cartilage zones. The outcomes of the current work will also help understand how charge of the bath affects the diffusion of a charged molecule and also predict the diffusion behavior of a charged solute across articular cartilage. Copyright © 2016 Elsevier Ltd. All

  3. Modeling Electrostatic Fields Generated by Internal Charging of Materials in Space Radiation Environments

    Science.gov (United States)

    Minow, Joseph I.

    2011-01-01

    Internal charging is a risk to spacecraft in energetic electron environments. DICTAT, NU MIT computational codes are the most widely used engineering tools for evaluating internal charging of insulator materials exposed to these environments. Engineering tools are designed for rapid evaluation of ESD threats, but there is a need for more physics based models for investigating the science of materials interactions with energetic electron environments. Current tools are limited by the physics included in the models and ease of user implementation .... additional development work is needed to improve models.

  4. Modeling of radiation-induced charge trapping in MOS devices under ionizing irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Petukhov, M. A., E-mail: m.a.petukhov@gmail.com; Ryazanov, A. I. [National Research Center Kurchatov Institute (Russian Federation)

    2016-12-15

    The numerical model of the radiation-induced charge trapping process in the oxide layer of a MOS device under ionizing irradiation is developed; the model includes carrier transport, hole capture by traps in different states, recombination of free electrons and trapped holes, kinetics of hydrogen ions which can be accumulated in the material during transistor manufacture, and accumulation and charging of interface states. Modeling of n-channel MOSFET behavior under 1 MeV photon irradiation is performed. The obtained dose dependences of the threshold voltage shift and its contributions from trapped holes and interface states are in good agreement with experimental data.

  5. Extended charge banking model of dual path shocks for implantable cardioverter defibrillators.

    Science.gov (United States)

    Dosdall, Derek J; Sweeney, James D

    2008-08-01

    Single path defibrillation shock methods have been improved through the use of the Charge Banking Model of defibrillation, which predicts the response of the heart to shocks as a simple resistor-capacitor (RC) circuit. While dual path defibrillation configurations have significantly reduced defibrillation thresholds, improvements to dual path defibrillation techniques have been limited to experimental observations without a practical model to aid in improving dual path defibrillation techniques. The Charge Banking Model has been extended into a new Extended Charge Banking Model of defibrillation that represents small sections of the heart as separate RC circuits, uses a weighting factor based on published defibrillation shock field gradient measures, and implements a critical mass criteria to predict the relative efficacy of single and dual path defibrillation shocks. The new model reproduced the results from several published experimental protocols that demonstrated the relative efficacy of dual path defibrillation shocks. The model predicts that time between phases or pulses of dual path defibrillation shock configurations should be minimized to maximize shock efficacy. Through this approach the Extended Charge Banking Model predictions may be used to improve dual path and multi-pulse defibrillation techniques, which have been shown experimentally to lower defibrillation thresholds substantially. The new model may be a useful tool to help in further improving dual path and multiple pulse defibrillation techniques by predicting optimal pulse durations and shock timing parameters.

  6. Fuzzy chance constrained linear programming model for scrap charge optimization in steel production

    DEFF Research Database (Denmark)

    Rong, Aiying; Lahdelma, Risto

    2008-01-01

    the uncertainty based on fuzzy set theory and constrain the failure risk based on a possibility measure. Consequently, the scrap charge optimization problem is modeled as a fuzzy chance constrained linear programming problem. Since the constraints of the model mainly address the specification of the product...

  7. Diverging strains near threshold: Breakdown of the elastic description of a charge density wave model

    International Nuclear Information System (INIS)

    Mungan, M.; Coppersmith, S.; Vinokur, V.M.

    1999-01-01

    We analyze the strains near threshold in 1-d charge density wave models at zero temperature and strong pinning. We show that in these models local strains diverge near the depinning threshold and characterize the scaling behavior of the phenomenon. This helps quantify when the underlying elastic description breaks down and plastic effects have to be included

  8. Development of a charge transport model for white OLEDs

    NARCIS (Netherlands)

    Vries, de R.J.

    2012-01-01

    Organic light-emitting diodes (OLEDs) are promising candidates for future lighting applications since they can be made ultra-thin, color-tunable and exible. Improving their e??ciency is an important challenge in the ??eld of organic electronics. The availability of a device model can make the

  9. Approximation to the Modelling of Charge and Discharge Processes in Electrochemical Batteries by Integral Equations

    International Nuclear Information System (INIS)

    Balenzategui, J. L.

    1999-01-01

    A new way for the modelling of the charge and discharge processes in electrochemical batteries based on the use of integral equations is presented. The proposed method models the charge curves by the so called fractional or cumulative integrals of a certain objective function f(t) that must be sought. The charge figures can be easily fitted by breaking down this objective function as the addition of two different Lorentz type functions: the first one is associated to the own charge process and the second one to the overcharge process. The method allows calculating the starting voltage for overcharge as the intersection between both functions. The curve fitting of this model to different experimental charge curves, by using the Marquart algorithm, has shown very accurate results. In the case of discharge curves, two possible methods for modelling purposes are suggested, well by using the same kind of integral equations, well by the simple subtraction of an objective function f(t) from a constant value V O D. Many other aspects for the study and analysis of this method in order to improve its results in further developments are also discussed. (Author) 10 refs

  10. Communication: modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions.

    Science.gov (United States)

    Bardhan, Jaydeep P; Knepley, Matthew G

    2014-10-07

    We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley "bracelet" and "rod" test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, "Charge asymmetries in hydration of polar solutes," J. Phys. Chem. B 112, 2405-2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry.

  11. Communication: Modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions

    International Nuclear Information System (INIS)

    Bardhan, Jaydeep P.; Knepley, Matthew G.

    2014-01-01

    We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley “bracelet” and “rod” test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, “Charge asymmetries in hydration of polar solutes,” J. Phys. Chem. B 112, 2405–2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry

  12. Communication: Modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions

    Science.gov (United States)

    Bardhan, Jaydeep P.; Knepley, Matthew G.

    2014-01-01

    We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley “bracelet” and “rod” test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, “Charge asymmetries in hydration of polar solutes,” J. Phys. Chem. B 112, 2405–2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry. PMID:25296776

  13. Communication: Modeling charge-sign asymmetric solvation free energies with nonlinear boundary conditions

    Energy Technology Data Exchange (ETDEWEB)

    Bardhan, Jaydeep P. [Department of Mechanical and Industrial Engineering, Northeastern University, Boston, Massachusetts 02115 (United States); Knepley, Matthew G. [Computation Institute, The University of Chicago, Chicago, Illinois 60637 (United States)

    2014-10-07

    We show that charge-sign-dependent asymmetric hydration can be modeled accurately using linear Poisson theory after replacing the standard electric-displacement boundary condition with a simple nonlinear boundary condition. Using a single multiplicative scaling factor to determine atomic radii from molecular dynamics Lennard-Jones parameters, the new model accurately reproduces MD free-energy calculations of hydration asymmetries for: (i) monatomic ions, (ii) titratable amino acids in both their protonated and unprotonated states, and (iii) the Mobley “bracelet” and “rod” test problems [D. L. Mobley, A. E. Barber II, C. J. Fennell, and K. A. Dill, “Charge asymmetries in hydration of polar solutes,” J. Phys. Chem. B 112, 2405–2414 (2008)]. Remarkably, the model also justifies the use of linear response expressions for charging free energies. Our boundary-element method implementation demonstrates the ease with which other continuum-electrostatic solvers can be extended to include asymmetry.

  14. Model of electric field-induced charge disordering in praseodymium manganites

    International Nuclear Information System (INIS)

    Lapinskas, S.; Tornau, E.E.; Semiconductor Physics Inst., Vilnius

    2001-01-01

    We propose a model for an electric field-driven transition from the ordered NaCl-type phase to the disordered phase. Such a transition might be a prototype of charge disordering transition observed in Pr 1-c Ca c MnO 3 . We assume the lattice-gas model and hopping conductivity of charge carriers. The solution of this model, performed by the Monte Carlo method, demonstrates that considerably high electric field can disorder well-ordered phases. The comparison with the data for charge disordering in Pr 1-c Ca c MnO 3 shows that required fields are much too high. We analyze the obtained results trying to determine a possible scenario for conductivity in Pr 1-c Ca c MnO 3 . (orig.)

  15. The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

    NARCIS (Netherlands)

    Wolthers, M.; Charlet, L.; Van Cappellen, P.

    2008-01-01

    The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

  16. Blind intercomparison of nuclear models for predicting charged particle emission

    International Nuclear Information System (INIS)

    Shibata, K.; Cierjacks, S.

    1994-01-01

    Neutron activation data are important for dosimetry, radiation-damage and production of long-lived activities. For fusion energy applications, it is required to develop 'low-activation materials' from the viewpoints of safety, maintenance and waste disposal. Existing evaluated activation cross-section libraries are to a large extent based on nuclear-model calculations. The former Nuclear Energy Agency Nuclear Data Committee, NEANDC, (presently replaced by the NEA Nuclear Science Committee) organized the working group on activation cross sections. The first meeting of the group was held in 1989, and it was then agreed that a blind intercomparison of nuclear-model calculations should be undertaken in order to test the predictive power of the theoretical calculations. As a first stage the working group selected the reactions 60g Co(n,p) 60 Fe and 60m Co(n,p) 60 Fe, for which no experimental data were available, in the energy range from 1 to 20 MeV. The preliminary results compiled at the NEA Data Bank were sent to each participant and a meeting was held during the International Conference on Nuclear Data for Science and Technology in Julich 1991 to discuss the results. Following the outcome of the discussion in Julich, it was decided to extend this intercomparison. In the second-stage calculation, the same optical-model parameters were employed for neutrons, protons and α-particles, i.e., V = 50 MeV, W = 10 MeV, r = 1.25 fm and a = 0.6 fm with the Woods-Saxon volume-type form factors. No spin-orbit interaction was considered. Concerning the level density, the Fermi gas model with a = A/8 MeV -1 was assumed without pairing corrections. Moreover, gamma-ray competition was neglected to simplify the calculation. This report describes the final results of the blind comparison. Section 2 deals with a survey of the received contributions. The final results are graphically presented in section 3. 67 figs., 1 tab., 12 refs

  17. Multiscale Molecular Dynamics Model for Heterogeneous Charged Systems

    Science.gov (United States)

    Stanton, L. G.; Glosli, J. N.; Murillo, M. S.

    2018-04-01

    Modeling matter across large length scales and timescales using molecular dynamics simulations poses significant challenges. These challenges are typically addressed through the use of precomputed pair potentials that depend on thermodynamic properties like temperature and density; however, many scenarios of interest involve spatiotemporal variations in these properties, and such variations can violate assumptions made in constructing these potentials, thus precluding their use. In particular, when a system is strongly heterogeneous, most of the usual simplifying assumptions (e.g., spherical potentials) do not apply. Here, we present a multiscale approach to orbital-free density functional theory molecular dynamics (OFDFT-MD) simulations that bridges atomic, interionic, and continuum length scales to allow for variations in hydrodynamic quantities in a consistent way. Our multiscale approach enables simulations on the order of micron length scales and 10's of picosecond timescales, which exceeds current OFDFT-MD simulations by many orders of magnitude. This new capability is then used to study the heterogeneous, nonequilibrium dynamics of a heated interface characteristic of an inertial-confinement-fusion capsule containing a plastic ablator near a fuel layer composed of deuterium-tritium ice. At these scales, fundamental assumptions of continuum models are explored; features such as the separation of the momentum fields among the species and strong hydrogen jetting from the plastic into the fuel region are observed, which had previously not been seen in hydrodynamic simulations.

  18. Schottky’s conjecture, field emitters, and the point charge model

    Directory of Open Access Journals (Sweden)

    Kevin L. Jensen

    2016-06-01

    Full Text Available A Point Charge Model of conical field emitters, in which the emitter is defined by an equipotential surface of judiciously placed charges over a planar conductor, is used to confirm Schottky’s conjecture that field enhancement factors are multiplicative for a small protrusion placed on top of a larger base structure. Importantly, it is shown that Schottky’s conjecture for conical / ellipsoidal field emitters remains unexpectedly valid even when the dimensions of the protrusion begin to approach the dimensions of the base structure. The model is analytic and therefore the methodology is extensible to other configurations.

  19. Modeling of a Photovoltaic-Powered Electric Vehicle Charging Station with Vehicle-to-Grid Implementation

    Directory of Open Access Journals (Sweden)

    Azhar Ul-Haq

    2016-12-01

    Full Text Available This paper is aimed at modelling of a distinct smart charging station for electric vehicles (EVs that is suitable for DC quick EV charging while ensuring minimum stress on the power grid. Operation of the charging station is managed in such a way that it is either supplied by photovoltaic (PV power or the power grid, and the vehicle-to-grid (V2G is also implemented for improving the stability of the grid during peak load hours. The PV interfaced DC/DC converter and grid interfaced DC/AC bidirectional converter share a DC bus. A smooth transition of one operating mode to another demonstrates the effectiveness of the employed control strategy. Modelling and control of the different components are explained and are implemented in Simulink. Simulations illustrate the feasible behaviour of the charging station under all operating modes in terms of the four-way interaction among PV, EVs and the grid along with V2G operation. Additionally, a business model is discussed with comprehensive analysis of cost estimation for the deployment of charging facilities in a residential area. It has been recognized that EVs bring new opportunities in terms of providing regulation services and consumption flexibility by varying the recharging power at a certain time instant. The paper also discusses the potential financial incentives required to inspire EV owners for active participation in the demand response mechanism.

  20. Mathematical model of silicon smelting process basing on pelletized charge from technogenic raw materials

    Science.gov (United States)

    Nemchinova, N. V.; Tyutrin, A. A.; Salov, V. M.

    2018-03-01

    The silicon production process in the electric arc reduction furnaces (EAF) is studied using pelletized charge as an additive to the standard on the basis of the generated mathematical model. The results obtained due to the model will contribute to the analysis of the charge components behavior during melting with the achievement of optimum final parameters of the silicon production process. The authors proposed using technogenic waste as a raw material for the silicon production in a pelletized form using liquid glass and aluminum production dust from the electrostatic precipitators as a binder. The method of mathematical modeling with the help of the ‘Selector’ software package was used as a basis for the theoretical study. A model was simulated with the imitation of four furnace temperature zones and a crystalline silicon phase (25 °C). The main advantage of the created model is the ability to analyze the behavior of all burden materials (including pelletized charge) in the carbothermic process. The behavior analysis is based on the thermodynamic probability data of the burden materials interactions in the carbothermic process. The model accounts for 17 elements entering the furnace with raw materials, electrodes and air. The silicon melt, obtained by the modeling, contained 91.73 % wt. of the target product. The simulation results showed that in the use of the proposed combined charge, the recovery of silicon reached 69.248 %, which is in good agreement with practical data. The results of the crystalline silicon chemical composition modeling are compared with the real silicon samples of chemical analysis data, which showed the results of convergence. The efficiency of the mathematical modeling methods in the studying of the carbothermal silicon obtaining process with complex interphase transformations and the formation of numerous intermediate compounds using a pelletized charge as an additive to the traditional one is shown.

  1. Poisson-Boltzmann theory of charged colloids: limits of the cell model for salty suspensions

    International Nuclear Information System (INIS)

    Denton, A R

    2010-01-01

    Thermodynamic properties of charge-stabilized colloidal suspensions and polyelectrolyte solutions are commonly modelled by implementing the mean-field Poisson-Boltzmann (PB) theory within a cell model. This approach models a bulk system by a single macroion, together with counterions and salt ions, confined to a symmetrically shaped, electroneutral cell. While easing numerical solution of the nonlinear PB equation, the cell model neglects microion-induced interactions and correlations between macroions, precluding modelling of macroion ordering phenomena. An alternative approach, which avoids the artificial constraints of cell geometry, exploits the mapping of a macroion-microion mixture onto a one-component model of pseudo-macroions governed by effective interparticle interactions. In practice, effective-interaction models are usually based on linear-screening approximations, which can accurately describe strong nonlinear screening only by incorporating an effective (renormalized) macroion charge. Combining charge renormalization and linearized PB theories, in both the cell model and an effective-interaction (cell-free) model, we compute osmotic pressures of highly charged colloids and monovalent microions, in Donnan equilibrium with a salt reservoir, over a range of concentrations. By comparing predictions with primitive model simulation data for salt-free suspensions, and with predictions from nonlinear PB theory for salty suspensions, we chart the limits of both the cell model and linear-screening approximations in modelling bulk thermodynamic properties. Up to moderately strong electrostatic couplings, the cell model proves accurate for predicting osmotic pressures of deionized (counterion-dominated) suspensions. With increasing salt concentration, however, the relative contribution of macroion interactions to the osmotic pressure grows, leading predictions from the cell and effective-interaction models to deviate. No evidence is found for a liquid

  2. Determining Trajectory of Triboelectrically Charged Particles, Using Discrete Element Modeling

    Science.gov (United States)

    2008-01-01

    The Kennedy Space Center (KSC) Electrostatics and Surface Physics Laboratory is participating in an Innovative Partnership Program (IPP) project with an industry partner to modify a commercial off-the-shelf simulation software product to treat the electrodynamics of particulate systems. Discrete element modeling (DEM) is a numerical technique that can track the dynamics of particle systems. This technique, which was introduced in 1979 for analysis of rock mechanics, was recently refined to include the contact force interaction of particles with arbitrary surfaces and moving machinery. In our work, we endeavor to incorporate electrostatic forces into the DEM calculations to enhance the fidelity of the software and its applicability to (1) particle processes, such as electrophotography, that are greatly affected by electrostatic forces, (2) grain and dust transport, and (3) the study of lunar and Martian regoliths.

  3. Absence of ballistic charge transport in the half-filled 1D Hubbard model

    Science.gov (United States)

    Carmelo, J. M. P.; Nemati, S.; Prosen, T.

    2018-05-01

    Whether in the thermodynamic limit of lattice length L → ∞, hole concentration mηz = - 2 Sηz/L = 1 -ne → 0, nonzero temperature T > 0, and U / t > 0 the charge stiffness of the 1D Hubbard model with first neighbor transfer integral t and on-site repulsion U is finite or vanishes and thus whether there is or there is no ballistic charge transport, respectively, remains an unsolved and controversial issue, as different approaches yield contradictory results. (Here Sηz = - (L -Ne) / 2 is the η-spin projection and ne =Ne / L the electronic density.) In this paper we provide an upper bound on the charge stiffness and show that (similarly as at zero temperature), for T > 0 and U / t > 0 it vanishes for mηz → 0 within the canonical ensemble in the thermodynamic limit L → ∞. Moreover, we show that at high temperature T → ∞ the charge stiffness vanishes as well within the grand-canonical ensemble for L → ∞ and chemical potential μ →μu where (μ -μu) ≥ 0 and 2μu is the Mott-Hubbard gap. The lack of charge ballistic transport indicates that charge transport at finite temperatures is dominated by a diffusive contribution. Our scheme uses a suitable exact representation of the electrons in terms of rotated electrons for which the numbers of singly occupied and doubly occupied lattice sites are good quantum numbers for U / t > 0. In contrast to often less controllable numerical studies, the use of such a representation reveals the carriers that couple to the charge probes and provides useful physical information on the microscopic processes behind the exotic charge transport properties of the 1D electronic correlated system under study.

  4. Model of charge-state distributions for electron cyclotron resonance ion source plasmas

    Directory of Open Access Journals (Sweden)

    D. H. Edgell

    1999-12-01

    Full Text Available A computer model for the ion charge-state distribution (CSD in an electron cyclotron resonance ion source (ECRIS plasma is presented that incorporates non-Maxwellian distribution functions, multiple atomic species, and ion confinement due to the ambipolar potential well that arises from confinement of the electron cyclotron resonance (ECR heated electrons. Atomic processes incorporated into the model include multiple ionization and multiple charge exchange with rate coefficients calculated for non-Maxwellian electron distributions. The electron distribution function is calculated using a Fokker-Planck code with an ECR heating term. This eliminates the electron temperature as an arbitrary user input. The model produces results that are a good match to CSD data from the ANL-ECRII ECRIS. Extending the model to 1D axial will also allow the model to determine the plasma and electrostatic potential profiles, further eliminating arbitrary user input to the model.

  5. Reversal permanent charge and reversal potential: case studies via classical Poisson–Nernst–Planck models

    International Nuclear Information System (INIS)

    Eisenberg, Bob; Liu, Weishi; Xu, Hongguo

    2015-01-01

    In this work, we are interested in effects of a simple profile of permanent charges on ionic flows. We determine when a permanent charge produces current reversal. We adopt the classical Poisson–Nernst–Planck (PNP) models of ionic flows for this study. The starting point of our analysis is the recently developed geometric singular perturbation approach for PNP models. Under the setting in the paper for case studies, we are able to identify a single governing equation for the existence and the value of the permanent charge for a current reversal. A number of interesting features are established. The related topic on reversal potential can be viewed as a dual problem and is briefly examined in this work too. (paper)

  6. Renormalized charge in a two-dimensional model of colloidal suspension from hypernetted chain approach.

    Science.gov (United States)

    Camargo, Manuel; Téllez, Gabriel

    2008-04-07

    The renormalized charge of a simple two-dimensional model of colloidal suspension was determined by solving the hypernetted chain approximation and Ornstein-Zernike equations. At the infinite dilution limit, the asymptotic behavior of the correlation functions is used to define the effective interactions between the components of the system and these effective interactions were compared to those derived from the Poisson-Boltzmann theory. The results we obtained show that, in contrast to the mean-field theory, the renormalized charge does not saturate, but exhibits a maximum value and then decays monotonically as the bare charge increases. The results also suggest that beyond the counterion layer near to the macroion surface, the ionic cloud is not a diffuse layer which can be handled by means of the linearized theory, as the two-state model claims, but a more complex structure is settled by the correlations between microions.

  7. Two-dimensional analytical model of double-gate tunnel FETs with interface trapped charges including effects of channel mobile charge carriers

    Science.gov (United States)

    Xu, Huifang; Dai, Yuehua

    2017-02-01

    A two-dimensional analytical model of double-gate (DG) tunneling field-effect transistors (TFETs) with interface trapped charges is proposed in this paper. The influence of the channel mobile charges on the potential profile is also taken into account in order to improve the accuracy of the models. On the basis of potential profile, the electric field is derived and the expression for the drain current is obtained by integrating the BTBT generation rate. The model can be used to study the impact of interface trapped charges on the surface potential, the shortest tunneling length, the drain current and the threshold voltage for varying interface trapped charge densities, length of damaged region as well as the structural parameters of the DG TFET and can also be utilized to design the charge trapped memory devices based on TFET. The biggest advantage of this model is that it is more accurate, and in its expression there are no fitting parameters with small calculating amount. Very good agreements for both the potential, drain current and threshold voltage are observed between the model calculations and the simulated results. Project supported by the National Natural Science Foundation of China (No. 61376106), the University Natural Science Research Key Project of Anhui Province (No. KJ2016A169), and the Introduced Talents Project of Anhui Science and Technology University.

  8. Electrolyte effects in a model of proton discharge on charged electrodes

    Science.gov (United States)

    Wiebe, Johannes; Kravchenko, Kateryna; Spohr, Eckhard

    2015-01-01

    We report results on the influence of NaCl electrolyte dissolved in water on proton discharge reactions from aqueous solution to charged platinum electrodes. We have extended a recently developed combined proton transfer/proton discharge model on the basis of empirical valence bond theory to include NaCl solutions with several different concentrations of cations and anions, both stoichiometric (1:1) compositions and non-stoichiometric ones with an excess of cations. The latter solutions partially screen the electrostatic potential from the surface charge of the negatively charged electrode. 500-1000 trajectories of a discharging proton were integrated by molecular dynamics simulations until discharge occurred, or for at most 1.5 ns. The results show a strong dependence on ionic strength, but only a weak dependence on the screening behavior, when comparing stoichiometric and non-stoichiometric solutions. Overall, the Na+ cations exert a more dominant effect on the discharge reaction, which we argue is likely due to the very rigid arrangements of the cations on the negatively polarized electrode surface. Thus, our model predicts, for the given and very high negative surface charge densities, the fastest discharge reaction for pure water, but obviously cannot take into account the fact that such high charge densities are even more out of reach experimentally than for higher electrolyte concentrations.

  9. A potential model for sodium chloride solutions based on the TIP4P/2005 water model

    Science.gov (United States)

    Benavides, A. L.; Portillo, M. A.; Chamorro, V. C.; Espinosa, J. R.; Abascal, J. L. F.; Vega, C.

    2017-09-01

    Despite considerable efforts over more than two decades, our knowledge of the interactions in electrolyte solutions is not yet satisfactory. Not even one of the most simple and important aqueous solutions, NaCl(aq), escapes this assertion. A requisite for the development of a force field for any water solution is the availability of a good model for water. Despite the fact that TIP4P/2005 seems to fulfill the requirement, little work has been devoted to build a force field based on TIP4P/2005. In this work, we try to fill this gap for NaCl(aq). After unsuccessful attempts to produce accurate predictions for a wide range of properties using unity ionic charges, we decided to follow recent suggestions indicating that the charges should be scaled in the ionic solution. In this way, we have been able to develop a satisfactory non-polarizable force field for NaCl(aq). We evaluate a number of thermodynamic properties of the solution (equation of state, maximum in density, enthalpies of solution, activity coefficients, radial distribution functions, solubility, surface tension, diffusion coefficients, and viscosity). Overall the results for the solution are very good. An important achievement of our model is that it also accounts for the dynamical properties of the solution, a test for which the force fields so far proposed failed. The same is true for the solubility and for the maximum in density where the model describes the experimental results almost quantitatively. The price to pay is that the model is not so good at describing NaCl in the solid phase, although the results for several properties (density and melting temperature) are still acceptable. We conclude that the scaling of the charges improves the overall description of NaCl aqueous solutions when the polarization is not included.

  10. Net charge fluctuations and local charge compensation

    International Nuclear Information System (INIS)

    Fu Jinghua

    2006-01-01

    We propose net charge fluctuation as a measure of local charge correlation length. It is demonstrated that, in terms of a schematic multiperipheral model, net charge fluctuation satisfies the same Quigg-Thomas relation as satisfied by charge transfer fluctuation. Net charge fluctuations measured in finite rapidity windows depend on both the local charge correlation length and the size of the observation window. When the observation window is larger than the local charge correlation length, the net charge fluctuation only depends on the local charge correlation length, while forward-backward charge fluctuations always have strong dependence on the observation window size. Net charge fluctuations and forward-backward charge fluctuations measured in the present heavy ion experiments show characteristic features similar to those from multiperipheral models. But the data cannot all be understood within this simple model

  11. Charge quantization in the standard model and some of its extensions

    International Nuclear Information System (INIS)

    Foot, R.; Joshi, G.C.; Lew, H.; Volkas, R.R.

    1990-01-01

    Recent advances in the theoretical understanding of electric charge quantization in the Standard Model and some of its extensions are reviewed. The roles played by classical constraints, gauge and mixed gauge-gravitational anomaly cancellation and the demand of vector-like electromagnetic interactions, are discussed. An attempt is made to clearly explain and contrast the points of view of various authors. 17 refs

  12. 3D numerical surface charge model including relative permeability : the general theory

    NARCIS (Netherlands)

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

    2014-01-01

    One of the still "open" issues within low-frequency magnetics is the inclusion of µr in the calculations using the magnetic charge method. In this paper a new iterative method to take the relative permeability into account is investigated. Results show that the model accurately accounts for the

  13. Polyhedral charge-packing model for blood pH changes in disease ...

    African Journals Online (AJOL)

    Administrator

    2007-05-02

    May 2, 2007 ... The six negatively charged hydroxyl ions occupy the six vertices of the octahedron, while the lone proton,. H+, occupies the octahedral hole at the centroid. ... ge packing can account for the common pH of 7.4 of mammals, in spite of other differences that are well known (Jackson, 1997). In the original model ...

  14. Non-destructive fast charging algorithm of lithium-ion batteries based on the control-oriented electrochemical model

    International Nuclear Information System (INIS)

    Chu, Zhengyu; Feng, Xuning; Lu, Languang; Li, Jianqiu; Han, Xuebing; Ouyang, Minggao

    2017-01-01

    Highlights: •A novel non-destructive fast charging algorithm of lithium-ion batteries is proposed. •A close-loop observer of lithium deposition status is constructed based on the SP2D model. •The charging current is modified online using the feedback of the lithium deposition status. •The algorithm can shorten the charging time and can be used for charging from different initial SOCs. •The post-mortem observation and degradation tests show that no lithium deposition occurs during fast charging. -- Abstract: Fast charging is critical for the application of lithium-ion batteries in electric vehicles. Conventional fast charging algorithms may shorten the cycle life of lithium-ion batteries and induce safety problems, such as internal short circuit caused by lithium deposition at the negative electrode. In this paper, a novel, non-destructive model-based fast charging algorithm is proposed. The fast charging algorithm is composed of two closed loops. The first loop includes an anode over-potential observer that can observe the status of lithium deposition online, whereas the second loop includes a feedback structure that can modify the current based on the observed status of lithium deposition. The charging algorithm enhances the charging current to maintain the observed anode over-potential near the preset threshold potential. Therefore, the fast charging algorithm can decrease the charging time while protecting the health of the battery. The fast charging algorithm is validated on a commercial large-format nickel cobalt manganese/graphite cell. The results showed that 96.8% of the battery capacity can be charged within 52 min. The post-mortem observation of the surface of the negative electrode and degradation tests revealed that the fast charging algorithm proposed here protected the battery from lithium deposition.

  15. Cosmic ray muon charge ratio derived from the new scaling variable model

    CERN Document Server

    Bhattacharya, D P

    1980-01-01

    The charge ratio of sea level muons has been estimated from the new scaling variable model and the CERN Intersecting Storage Ring data of Capiluppi et al. (1974) for pp to pi /sup +or-/X and pp to K/sup +or- /X inclusive reactions. The estimated muon charge ratio is found to be 1.21 and the result has been compared with the experimental data of Parker et al. (1969), Burnet et al. (1973), Ashley et al., and Muraki et al. (1979). (20 refs).

  16. Charge Transport in Conjugated Materials: From Theoretical Models to Experimental Systems

    International Nuclear Information System (INIS)

    Olivier, Yoann; Cornil, Jerome; Muccioli, Luca; Zannoni, Claudio

    2008-01-01

    Charge carrier mobility is the key quantity to characterize the charge transport properties in devices. Based on earlier work of Baessler and co-workers, we set up a Monte-Carlo approach that allows us to calculate mobility using transfer rates derived from Marcus theory. The parameters entering into the rate expression are evaluated by means of different quantum-chemical techniques. Our approach is applied here to a model one-dimensional system made of pentacene molecules as well as to real systems such as crystalline structures and columnar liquid crystal phases.

  17. Modelling the Effects of Parking Charge and Supply Policy Using System Dynamics Method

    Directory of Open Access Journals (Sweden)

    Zhenyu Mei

    2017-01-01

    Full Text Available Reasonable parking charge and supply policy are essential for the regular operation of the traffic in city center. This paper develops an evaluation model for parking policies using system dynamics. A quantitative study is conducted to examine the effects of parking charge and supply policy on traffic speed. The model, which is composed of three interrelated subsystems, first summarizes the travel cost of each travel mode and then calibrates the travel choice model through the travel mode subsystem. Finally, the subsystem that evaluates the state of traffic forecasts future car speed based on bureau of public roads (BPR function and generates new travel cost until the entire model reaches a steady state. The accuracy of the model is verified in Hangzhou Wulin business district. The related error of predicted speed is only 2.2%. The results indicate that the regular pattern of traffic speed and parking charge can be illustrated using the proposed model based on system dynamics, and the model infers that reducing the parking supply in core area will increase its congestion level and, under certain parking supply conditions, there exists an interval of possible pricing at which the service reaches a level that is fairly stable.

  18. LHC charge asymmetry as constraint on models for the Tevatron top anomaly

    International Nuclear Information System (INIS)

    Craig, Nathaniel; Kilic, Can; Strassler, Matthew J.

    2011-01-01

    The forward-backward asymmetry A FB tt in top quark production at the Tevatron has been observed to be anomalously large by both CDF and D0. It has been suggested that a model with a W ' coupling to td and ub might explain this anomaly, and other anomalies in B mesons. Single-top-quark production in this model is large, and arguably in conflict with Tevatron measurements. However the model might still be viable if A FB tt is somewhat smaller than its current measured central value. We show that even with smaller couplings, the model can be discovered (or strongly excluded) at the LHC using the 2010 data sets. We find that a suitable charge-asymmetry measurement is a powerful tool that can be used to constrain this and other sources of anomalous single-top production, and perhaps other new high-energy charge-asymmetric processes.

  19. Charge deposition model for investigating SE-microdose effect in trench power MOSFETs

    International Nuclear Information System (INIS)

    Wan Xin; Zhou Weisong; Liu Daoguang; Bo Hanliang; Xu Jun

    2015-01-01

    It was demonstrated that heavy ions can induce large current—voltage (I–V) characteristics shift in commercial trench power MOSFETs, named single event microdose effect (SE-microdose effect). A model is presented to describe this effect. This model calculates the charge deposition by a single heavy ion hitting oxide and the subsequent charge transport under an electric field. Holes deposited at the SiO 2 /Si interface by a Xe ion are calculated by using this model. The calculated results were then used in Sentaurus TCAD software to simulate a trench power MOSFET's I–V curve shift after a Xe ion has hit it. The simulation results are consistent with the related experiment's data. In the end, several factors which affect the SE-microdose effect in trench power MOSFETs are investigated by using this model. (paper)

  20. Charge deposition model for investigating SE-microdose effect in trench power MOSFETs

    Science.gov (United States)

    Xin, Wan; Weisong, Zhou; Daoguang, Liu; Hanliang, Bo; Jun, Xu

    2015-05-01

    It was demonstrated that heavy ions can induce large current—voltage (I-V) characteristics shift in commercial trench power MOSFETs, named single event microdose effect (SE-microdose effect). A model is presented to describe this effect. This model calculates the charge deposition by a single heavy ion hitting oxide and the subsequent charge transport under an electric field. Holes deposited at the SiO2/Si interface by a Xe ion are calculated by using this model. The calculated results were then used in Sentaurus TCAD software to simulate a trench power MOSFET's I-V curve shift after a Xe ion has hit it. The simulation results are consistent with the related experiment's data. In the end, several factors which affect the SE-microdose effect in trench power MOSFETs are investigated by using this model.

  1. A new model for spherically symmetric charged compact stars of embedding class 1

    Energy Technology Data Exchange (ETDEWEB)

    Maurya, S.K. [University of Nizwa, Department of Mathematical and Physical Sciences, College of Arts and Science, Nizwa (Oman); Gupta, Y.K. [Raj Kumar Goel Institute of Technology, Department of Mathematics, Ghaziabad, U.P. (India); Ray, Saibal [Government College of Engineering and Ceramic Technology, Department of Physics, Kolkata, West Bengal (India); Deb, Debabrata [Indian Institute of Engineering Science and Technology, Department of Physics, Howrah, West Bengal (India)

    2017-01-15

    In the present study we search for a new stellar model with spherically symmetric matter and a charged distribution in a general relativistic framework. The model represents a compact star of embedding class 1. The solutions obtained here are general in nature, having the following two features: first of all, the metric becomes flat and also the expressions for the pressure, energy density, and electric charge become zero in all the cases if we consider the constant A = 0, which shows that our solutions represent the so-called 'electromagnetic mass model' [17], and, secondly, the metric function ν(r), for the limit n tending to infinity, converts to ν(r) = Cr{sup 2}+ ln B, which is the same as considered by Maurya et al. [11]. We have investigated several physical aspects of the model and find that all the features are acceptable within the requirements of contemporary theoretical studies and observational evidence. (orig.)

  2. Charge-changing transitions in an extended Lipkin-type model

    International Nuclear Information System (INIS)

    Mihut, I.; Stoica, S.; Suhonen, J.

    1997-01-01

    Charge-changing transition are considered in an extended Lipkin-Meshkov-Glick (LMG) model taking into account explicitly the proton and neutron degrees of freedom. The proton and neutron Hamiltonians are taken to be of the LMG form and in addition, a residual proton-neutron interaction is included. Model charge-changing operators and their action on eigenfunctions of the model Hamiltonian are defined. Transition amplitudes of these operators are calculated using exact eigenfunctions and then the RPA approximation. The best agreement between the two kinds of calculations was obtained when the correlated RPA ground state, instead of the uncorrelated HF ground state, is employed and when the proton-neutron residual interaction besides the proton-proton and neutron-neutron residual interactions is taken into account in the model Hamiltonian

  3. Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Yi; Berkowitz, Max L., E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu; Kanai, Yosuke, E-mail: maxb@unc.edu, E-mail: ykanai@unc.edu [Department of Chemistry, University of North Carolina at Chapel Hill, Chapel Hill, North Carolina 27599 (United States)

    2015-12-28

    The translational diffusivity of water in solutions of alkali halide salts depends on the identity of ions, exhibiting dramatically different behavior even in solutions of similar salts of NaCl and KCl. The water diffusion coefficient decreases as the salt concentration increases in NaCl. Yet, in KCl solution, it slightly increases and remains above bulk value as salt concentration increases. Previous classical molecular dynamics simulations have failed to describe this important behavior even when polarizable models were used. Here, we show that inclusion of dynamical charge transfer among water molecules produces results in a quantitative agreement with experiments. Our results indicate that the concentration-dependent diffusivity reflects the importance of many-body effects among the water molecules in aqueous ionic solutions. Comparison with quantum mechanical calculations shows that a heterogeneous and extended distribution of charges on water molecules around the ions due to ion-water and also water-water charge transfer plays a very important role in controlling water diffusivity. Explicit inclusion of the charge transfer allows us to model accurately the difference in the concentration-dependent water diffusivity between Na{sup +} and K{sup +} ions in simulations, and it is likely to impact modeling of a wide range of systems for medical and technological applications.

  4. μ-τ symmetry and charged lepton mass hierarchy in a supersymmetric D4 model

    International Nuclear Information System (INIS)

    Hagedorn, C.; Ziegler, R.

    2010-01-01

    In this paper we discuss a supersymmetric D 4 xZ 5 model which leads to vanishing reactor mixing angle θ 13 =0 and maximal atmospheric mixing θ 23 =π/4 in the lepton sector at leading order, due to the preservation of nontrivial distinct D 4 subgroups in the charged lepton and neutrino sectors, respectively. The solar mixing angle θ 12 remains undetermined and is expected to be of order one. Since right-handed charged leptons transform as singlets under D 4 , the charged lepton mass hierarchy can be naturally accounted for. The model predicts inverted mass hierarchy for neutrinos. Additionally, we show that, unlike in most of the other models of this type, all vacuum expectation values of gauge singlets (flavons) can be determined through mass parameters of the superpotential. Next-to-leading order corrections to lepton masses and mixings are calculated and shown to be under control; in particular, the corrections to θ 23 =π/4 and θ 13 =0 are of the order of the generic expansion parameter ε≅0.04 and arise dominantly from the charged lepton sector.

  5. The EV Project Price/Fee Models for Publicly Accessible Charging

    Energy Technology Data Exchange (ETDEWEB)

    Francfort, James Edward [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2015-12-01

    As plug-in electric vehicles (PEVs) are introduced to the market place and gain more consumer acceptance, it is important for a robust and self-sustaining non-residential infrastructure of electric vehicle supply equipment (EVSE) to be established to meet the needs of PEV drivers. While federal and state financial incentives for electric vehicles were in place and remain so today, future incentives are uncertain. In order for PEVs to achieve mainstream adoption, an adequate and sustainable commercial or publicly available charging infrastructure was pursued by The EV Project to encourage increased PEV purchases by alleviating range anxiety, and by removing adoption barriers for consumers without a dedicated overnight parking location to provide a home-base charger. This included determining a business model for publicly accessible charge infrastructure. To establish this business model, The EV Project team created a fee for charge model along with various ancillary offerings related to charging that would generate revenue. And after placing chargers in the field the Project rolled out this fee structure.

  6. Heavy charged leptons in an SU(3)L x U(1)N model

    International Nuclear Information System (INIS)

    Pleitez, V.; Tonasse, M.D.

    1992-12-01

    An SU(3) L x U(1) N model for the electroweak interactions which includes additional heavy charged leptons is considered. These leptons have not strong constraints on their masses since they do not couple in the same way as the lightest leptons to the neutral-currents and also because new contributions to the muon g-2 factor already suppressed because of the massive new vector boson present in this model. (author)

  7. Looking For Physics Beyond The Standard Model: Searches For Charged Higgs Bosons At $e^{+}e^{-}$ Colliders

    CERN Document Server

    Kiiskinen, A P

    2004-01-01

    This thesis describes direct searches for pair production of charged Higgs bosons performed in the data collected by the DELPHI detector at the LEP collider at CERN. In addition, the possibilities to discover and study heavy charged Higgs bosons at possible future high-energy linear colliders are presented. The existence of charged Higgs bosons is predicted by many extensions of the Standard Model. A possible discovery of these particles would be a solid proof for physics beyond the Standard Model. Discovery of charged Higgs bosons, and measurement of their properties, would also provide useful information about the structure of the more general theory. New analysis methods were developed for the searches performed at LEP. A large, previously unexplored, mass range for cover but no evidence for the existence of the charged Higgs bosons was found. This allowed setting new lower mass limits for the charged Higgs boson within the framework of general two Higgs doublet models. Results have been interpreted and pr...

  8. A numerical model for charge transport and energy conversion of perovskite solar cells.

    Science.gov (United States)

    Zhou, Yecheng; Gray-Weale, Angus

    2016-02-14

    Based on the continuity equations and Poisson's equation, we developed a numerical model for perovskite solar cells. Due to different working mechanisms, the model for perovskite solar cells differs from that of silicon solar cells and Dye Sensitized Solar Cells. The output voltage and current are calculated differently, and in a manner suited in particular to perovskite organohalides. We report a test of our equations against experiment with good agreement. Using this numerical model, it was found that performances of solar cells increase with charge carrier's lifetimes, mobilities and diffusion lengths. The open circuit voltage (Voc) of a solar cell is dependent on light intensities, and charge carrier lifetimes. Diffusion length and light intensity determine the saturated current (Jsc). Additionally, three possible guidelines for the design and fabrication of perovskite solar cells are suggested by our calculations. Lastly, we argue that concentrator perovskite solar cells are promising.

  9. Ignition-and-Growth Modeling of NASA Standard Detonator and a Linear Shaped Charge

    Science.gov (United States)

    Oguz, Sirri

    2010-01-01

    The main objective of this study is to quantitatively investigate the ignition and shock sensitivity of NASA Standard Detonator (NSD) and the shock wave propagation of a linear shaped charge (LSC) after being shocked by NSD flyer plate. This combined explosive train was modeled as a coupled Arbitrary Lagrangian-Eulerian (ALE) model with LS-DYNA hydro code. An ignition-and-growth (I&G) reactive model based on unreacted and reacted Jones-Wilkins-Lee (JWL) equations of state was used to simulate the shock initiation. Various NSD-to-LSC stand-off distances were analyzed to calculate the shock initiation (or failure to initiate) and detonation wave propagation along the shaped charge. Simulation results were verified by experimental data which included VISAR tests for NSD flyer plate velocity measurement and an aluminum target severance test for LSC performance verification. Parameters used for the analysis were obtained from various published data or by using CHEETAH thermo-chemical code.

  10. Superconducting, magnetic, and charge correlations in the doped two-chain Hubbard model

    International Nuclear Information System (INIS)

    Asai, Y.

    1995-01-01

    We have studied the superconducting, magnetic, and charge correlation functions and the spin excitation spectrum in the doped two-chain Hubbard model by projector Monte Carlo and Lanczos diagonalization methods. The exponent of the interchain singlet superconducting correlation function, γ, is found to be close to 2.0 as long as two distinct noninteracting bands cross the Fermi level. Magnetic and charge correlation functions decay more rapidly than or as fast as the interchain singlet superconducting correlation function along the chains. The superconducting correlation in the doped two-chain Hubbard model is the most long-range correlation studied here. Implications of the results for the possible universality class of the doped two-chain Hubbard model are discussed

  11. Flocculation of Clay Colloids Induced by Model Polyelectrolytes: Effects of Relative Charge Density and Size.

    Science.gov (United States)

    Sakhawoth, Yasine; Michot, Laurent J; Levitz, Pierre; Malikova, Natalie

    2017-10-06

    Flocculation and its tuning are of utmost importance in the optimization of several industrial protocols in areas such as purification of waste water and civil engineering. Herein, we studied the polyelectrolyte-induced flocculation of clay colloids on a model system consisting of purified clay colloids of well-defined size fractions and ionene polyelectrolytes presenting regular and tunable chain charge density. To characterize ionene-induced clay flocculation, we turned to the combination of light absorbance (turbidity) and ζ-potential measurements, as well as adsorption isotherms. Our model system allowed us to identify the exact ratio of positive and negative charges in clay-ionene mixtures, the (c+/c-) ratio. For all samples studied, the onset of efficient flocculation occurred consistently at c+/c- ratios significantly below 1, which indicated the formation of highly ionene-deficient aggregates. At the same time, the ζ-potential measurements indicated an apparent zero charge on such aggregates. Thus, the ζ-potential values could not provide the stoichiometry inside the clay-ionene aggregates. The early onset of flocculation in clay-ionene mixtures is reminiscent of the behavior of multivalent salts and contrasts that of monovalent salts, for which a large excess amount of ions is necessary to achieve flocculation. Clear differences in the flocculation behavior are visible as a function of the ionene charge density, which governs the conformation of the ionene chains on the clay surface. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Exploring charge density analysis in crystals at high pressure: data collection, data analysis and advanced modelling.

    Science.gov (United States)

    Casati, Nicola; Genoni, Alessandro; Meyer, Benjamin; Krawczuk, Anna; Macchi, Piero

    2017-08-01

    The possibility to determine electron-density distribution in crystals has been an enormous breakthrough, stimulated by a favourable combination of equipment for X-ray and neutron diffraction at low temperature, by the development of simplified, though accurate, electron-density models refined from the experimental data and by the progress in charge density analysis often in combination with theoretical work. Many years after the first successful charge density determination and analysis, scientists face new challenges, for example: (i) determination of the finer details of the electron-density distribution in the atomic cores, (ii) simultaneous refinement of electron charge and spin density or (iii) measuring crystals under perturbation. In this context, the possibility of obtaining experimental charge density at high pressure has recently been demonstrated [Casati et al. (2016). Nat. Commun. 7, 10901]. This paper reports on the necessities and pitfalls of this new challenge, focusing on the species syn-1,6:8,13-biscarbonyl[14]annulene. The experimental requirements, the expected data quality and data corrections are discussed in detail, including warnings about possible shortcomings. At the same time, new modelling techniques are proposed, which could enable specific information to be extracted, from the limited and less accurate observations, like the degree of localization of double bonds, which is fundamental to the scientific case under examination.

  13. Numerical and experimental investigation on static electric charge model at stable cone-jet region

    Science.gov (United States)

    Hashemi, Ali Reza; Pishevar, Ahmad Reza; Valipouri, Afsaneh; Pǎrǎu, Emilian I.

    2018-03-01

    In a typical electro-spinning process, the steady stretching process of the jet beyond the Taylor cone has a significant effect on the dimensions of resulting nanofibers. Also, it sets up the conditions for the onset of the bending instability. The focus of this work is the modeling and simulation of the initial stable jet phase seen during the electro-spinning process. The perturbation method was applied to solve hydrodynamic equations, and the electrostatic equation was solved by a boundary integral method. These equations were coupled with the stress boundary conditions derived appropriate at the fluid-fluid interface. Perturbation equations were discretized by the second-order finite difference method, and the Newton method was implemented to solve the discretized nonlinear system. Also, the boundary element method was utilized to solve the electrostatic equation. In the theoretical study, the fluid is described as a leaky dielectric with charges only on the jet surface in dielectric air. In this study, electric charges were modeled as static. Comparison of numerical and experimental results shows that at low flow rates and high electric field, good agreement was achieved because of the superior importance of the charge transport by conduction rather than convection and charge concentration. In addition, the effect of unevenness of the electric field around the nozzle tip was experimentally studied through plate-plate geometry as well as point-plate geometry.

  14. Charged black holes in a generalized scalar–tensor gravity model

    Directory of Open Access Journals (Sweden)

    Yves Brihaye

    2017-09-01

    Full Text Available We study 4-dimensional charged and static black holes in a generalized scalar–tensor gravity model, in which a shift symmetry for the scalar field exists. For vanishing scalar field the solution corresponds to the Reissner–Nordström (RN solution, while solutions of the full scalar-gravity model have to be constructed numerically. We demonstrate that these black holes support Galilean scalar hair up to a maximal value of the scalar–tensor coupling that depends on the value of the charge and can be up to roughly twice as large as that for uncharged solutions. The Hawking temperature TH of the hairy black holes at maximal scalar–tensor coupling decreases continuously with the increase of the charge and reaches TH=0 for the highest possible charge that these solutions can carry. However, in this limit, the scalar–tensor coupling needs to vanish. The limiting solution hence corresponds to the extremal RN solution, which does not support regular Galilean scalar hair due to its AdS2×S2 near-horizon geometry.

  15. A generalized multi-dimensional mathematical model for charging and discharging processes in a supercapacitor

    Energy Technology Data Exchange (ETDEWEB)

    Allu, Srikanth [ORNL; Velamur Asokan, Badri [Exxon Mobil Research and Engineering; Shelton, William A [Louisiana State University; Philip, Bobby [ORNL; Pannala, Sreekanth [ORNL

    2014-01-01

    A generalized three dimensional computational model based on unied formulation of electrode- electrolyte-electrode system of a electric double layer supercapacitor has been developed. The model accounts for charge transport across the solid-liquid system. This formulation based on volume averaging process is a widely used concept for the multiphase ow equations ([28] [36]) and is analogous to porous media theory typically employed for electrochemical systems [22] [39] [12]. This formulation is extended to the electrochemical equations for a supercapacitor in a consistent fashion, which allows for a single-domain approach with no need for explicit interfacial boundary conditions as previously employed ([38]). In this model it is easy to introduce the spatio-temporal variations, anisotropies of physical properties and it is also conducive for introducing any upscaled parameters from lower length{scale simulations and experiments. Due to the irregular geometric congurations including porous electrode, the charge transport and subsequent performance characteristics of the super-capacitor can be easily captured in higher dimensions. A generalized model of this nature also provides insight into the applicability of 1D models ([38]) and where multidimensional eects need to be considered. In addition, simple sensitivity analysis on key input parameters is performed in order to ascertain the dependence of the charge and discharge processes on these parameters. Finally, we demonstarted how this new formulation can be applied to non-planar supercapacitors

  16. Regulatory framework and business models for charging plug-in electric vehicles: Infrastructure, agents, and commercial relationships

    International Nuclear Information System (INIS)

    Gomez San Roman, Tomas; Momber, Ilan; Rivier Abbad, Michel; Sanchez Miralles, Alvaro

    2011-01-01

    Electric vehicles (EVs) present efficiency and environmental advantages over conventional transportation. It is expected that in the next decade this technology will progressively penetrate the market. The integration of plug-in electric vehicles in electric power systems poses new challenges in terms of regulation and business models. This paper proposes a conceptual regulatory framework for charging EVs. Two new electricity market agents, the EV charging manager and the EV aggregator, in charge of developing charging infrastructure and providing charging services are introduced. According to that, several charging modes such as EV home charging, public charging on streets, and dedicated charging stations are formulated. Involved market agents and their commercial relationships are analysed in detail. The paper elaborates the opportunities to formulate more sophisticated business models for vehicle-to-grid applications under which the storage capability of EV batteries is used for providing peak power or frequency regulation to support the power system operation. Finally penetration phase dependent policy and regulatory recommendations are given concerning time-of-use pricing, smart meter deployment, stable and simple regulation for reselling energy on private property, roll-out of public charging infrastructure as well as reviewing of grid codes and operational system procedures for interactions between network operators and vehicle aggregators. - Highlights: → A conceptual regulatory framework for charging EVs is proposed. → 2 new agents, EV charging point manager, EV aggregator and their functions are introduced. → Depending on private or public access of charging points, contractual relations change. → A classification of charging scenarios alludes implications on regulatory topics. → EV penetration phase dependent policy and regulatory recommendations are given.

  17. Regulatory framework and business models for charging plug-in electric vehicles: Infrastructure, agents, and commercial relationships

    Energy Technology Data Exchange (ETDEWEB)

    Gomez San Roman, Tomas [Instituto de Investigacion Tecnologica, Universidad Pontificia Comillas, Madrid (Spain); Momber, Ilan, E-mail: ilan.momber@iit.upcomillas.es [Instituto de Investigacion Tecnologica, Universidad Pontificia Comillas, Madrid (Spain); Rivier Abbad, Michel; Sanchez Miralles, Alvaro [Instituto de Investigacion Tecnologica, Universidad Pontificia Comillas, Madrid (Spain)

    2011-10-15

    Electric vehicles (EVs) present efficiency and environmental advantages over conventional transportation. It is expected that in the next decade this technology will progressively penetrate the market. The integration of plug-in electric vehicles in electric power systems poses new challenges in terms of regulation and business models. This paper proposes a conceptual regulatory framework for charging EVs. Two new electricity market agents, the EV charging manager and the EV aggregator, in charge of developing charging infrastructure and providing charging services are introduced. According to that, several charging modes such as EV home charging, public charging on streets, and dedicated charging stations are formulated. Involved market agents and their commercial relationships are analysed in detail. The paper elaborates the opportunities to formulate more sophisticated business models for vehicle-to-grid applications under which the storage capability of EV batteries is used for providing peak power or frequency regulation to support the power system operation. Finally penetration phase dependent policy and regulatory recommendations are given concerning time-of-use pricing, smart meter deployment, stable and simple regulation for reselling energy on private property, roll-out of public charging infrastructure as well as reviewing of grid codes and operational system procedures for interactions between network operators and vehicle aggregators. - Highlights: > A conceptual regulatory framework for charging EVs is proposed. > 2 new agents, EV charging point manager, EV aggregator and their functions are introduced. > Depending on private or public access of charging points, contractual relations change. > A classification of charging scenarios alludes implications on regulatory topics. > EV penetration phase dependent policy and regulatory recommendations are given.

  18. A modified Poisson-Boltmann model including charge regulation for the adsorption of ionizable polyelectrolytes to charged interfaces, applied to lysozyme adsorption on silica

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Veen, van der M.; Norde, W.

    2005-01-01

    The equilibrium adsorption of polyelectrolytes with multiple types of ionizable groups is described using a modified Poisson-Boltzmann equation including charge regulation of both the polymer and the interface. A one-dimensional mean-field model is used in which the electrostatic potential is

  19. Analytical solutions of nonlocal Poisson dielectric models with multiple point charges inside a dielectric sphere

    Science.gov (United States)

    Xie, Dexuan; Volkmer, Hans W.; Ying, Jinyong

    2016-04-01

    The nonlocal dielectric approach has led to new models and solvers for predicting electrostatics of proteins (or other biomolecules), but how to validate and compare them remains a challenge. To promote such a study, in this paper, two typical nonlocal dielectric models are revisited. Their analytical solutions are then found in the expressions of simple series for a dielectric sphere containing any number of point charges. As a special case, the analytical solution of the corresponding Poisson dielectric model is also derived in simple series, which significantly improves the well known Kirkwood's double series expansion. Furthermore, a convolution of one nonlocal dielectric solution with a commonly used nonlocal kernel function is obtained, along with the reaction parts of these local and nonlocal solutions. To turn these new series solutions into a valuable research tool, they are programed as a free fortran software package, which can input point charge data directly from a protein data bank file. Consequently, different validation tests can be quickly done on different proteins. Finally, a test example for a protein with 488 atomic charges is reported to demonstrate the differences between the local and nonlocal models as well as the importance of using the reaction parts to develop local and nonlocal dielectric solvers.

  20. Distributed parameter modeling to prevent charge cancellation for discrete thickness piezoelectric energy harvester

    Science.gov (United States)

    Krishnasamy, M.; Qian, Feng; Zuo, Lei; Lenka, T. R.

    2018-03-01

    The charge cancellation due to the change of strain along single continuous piezoelectric layer can remarkably affect the performance of a cantilever based harvester. In this paper, analytical models using distributed parameters are developed with some extent of averting the charge cancellation in cantilever piezoelectric transducer where the piezoelectric layers are segmented at strain nodes of concerned vibration mode. The electrode of piezoelectric segments are parallelly connected with a single external resistive load in the 1st model (Model 1). While each bimorph piezoelectric layers are connected in parallel to a resistor to form an independent circuit in the 2nd model (Model 2). The analytical expressions of the closed-form electromechanical coupling responses in frequency domain under harmonic base excitation are derived based on the Euler-Bernoulli beam assumption for both models. The developed analytical models are validated by COMSOL and experimental results. The results demonstrate that the energy harvesting performance of the developed segmented piezoelectric layer models is better than the traditional model of continuous piezoelectric layer.

  1. An electric vehicle driving behavior model in the traffic system with a wireless charging lane

    Science.gov (United States)

    He, Jia; Huang, Hai-Jun; Yang, Hai; Tang, Tie-Qiao

    2017-09-01

    In this paper, a car-following model is proposed to study each EV's (electric vehicle) motion behavior near the WCL (wireless charging lane) and a lane-changing rule is designed to describe the EV's lane-changing behavior. Then, the car-following model and lane-changing rule are used to explore each EV's micro driving behavior in a two-lane system with a WCL. Finally, the impacts of the WCL on each EV's motion behavior are investigated. The numerical results show that each EV should run slowly on the WCL if it needs charge of electricity, that the EV's lane-changing behavior has great effects on the whole system, that the delay time caused by the WCL turns more prominent when the traffic turns heavy, and that lane-changing frequently occurs near the WCL (especially at the downstream of the WCL).

  2. Modelling of electric tree progression due to space charge modified fields

    International Nuclear Information System (INIS)

    Seralathan, K E; Mahajan, A; Gupta, Nandini

    2008-01-01

    Tree initiation and growth require localized field enhancement that results in material erosion and formation of tree channels. Tree progression is linked to partial discharges within the tree tubules, characterized by recurrent periods of activity followed by quiescent states. Charge builds up across the non-conducting tree channels during the inactive regime, and discharge follows. In this work, the role of the space charge modified field during the non-discharging regime in deciding the site of subsequent discharges and thereby shaping tree structures is studied. A simple stochastic model was developed, in order to understand the respective effects of charges trapped on the walls of tree tubules, at channel tips, or in the volume of the dielectric. While some charge distributions are seen to arrest tree growth, others encourage axial growth towards the other electrode, and some aid in producing bushy trees clustered around the needle tip. The effect of carbon deposition within tree channels, making them effectively conducting, was also investigated. The insights gained from the simulations were successfully used to explain tree growth in the laboratory under high- and low-field conditions

  3. Stochastic-hydrodynamic model of halo formation in charged particle beams

    Directory of Open Access Journals (Sweden)

    Nicola Cufaro Petroni

    2003-03-01

    Full Text Available The formation of the beam halo in charged particle accelerators is studied in the framework of a stochastic-hydrodynamic model for the collective motion of the particle beam. In such a stochastic-hydrodynamic theory the density and the phase of the charged beam obey a set of coupled nonlinear hydrodynamic equations with explicit time-reversal invariance. This leads to a linearized theory that describes the collective dynamics of the beam in terms of a classical Schrödinger equation. Taking into account space-charge effects, we derive a set of coupled nonlinear hydrodynamic equations. These equations define a collective dynamics of self-interacting systems much in the same spirit as in the Gross-Pitaevskii and Landau-Ginzburg theories of the collective dynamics for interacting quantum many-body systems. Self-consistent solutions of the dynamical equations lead to quasistationary beam configurations with enhanced transverse dispersion and transverse emittance growth. In the limit of a frozen space-charge core it is then possible to determine and study the properties of stationary, stable core-plus-halo beam distributions. In this scheme the possible reproduction of the halo after its elimination is a consequence of the stationarity of the transverse distribution which plays the role of an attractor for every other distribution.

  4. Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions.

    Science.gov (United States)

    Yigit, Cemil; Heyda, Jan; Dzubiella, Joachim

    2015-08-14

    We introduce a set of charged patchy particle models (CPPMs) in order to systematically study the influence of electrostatic charge patchiness and multipolarity on macromolecular interactions by means of implicit-solvent, explicit-ion Langevin dynamics simulations employing the Gromacs software. We consider well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size which are composed of discrete atoms. The studied mono- and multipole moments of the CPPMs are comparable to those of globular proteins with similar size. We first characterize ion distributions and electrostatic potentials around a single CPPM. Although angle-resolved radial distribution functions reveal the expected local accumulation and depletion of counter- and co-ions around the patches, respectively, the orientation-averaged electrostatic potential shows only a small variation among the various CPPMs due to space charge cancellations. Furthermore, we study the orientation-averaged potential of mean force (PMF), the number of accumulated ions on the patches, as well as the CPPM orientations along the center-to-center distance of a pair of CPPMs. We compare the PMFs to the classical Derjaguin-Verwey-Landau-Overbeek theory and previously introduced orientation-averaged Debye-Hückel pair potentials including dipolar interactions. Our simulations confirm the adequacy of the theories in their respective regimes of validity, while low salt concentrations and large multipolar interactions remain a challenge for tractable theoretical descriptions.

  5. A Boltzmann-weighted hopping model of charge transport in organic semicrystalline films

    KAUST Repository

    Kwiatkowski, Joe J.; Jimison, Leslie H.; Salleo, Alberto; Spakowitz, Andrew J.

    2011-01-01

    We present a model of charge transport in polycrystalline electronic films, which considers details of the microscopic scale while simultaneously allowing realistically sized films to be simulated. We discuss the approximations and assumptions made by the model, and rationalize its application to thin films of directionally crystallized poly(3-hexylthiophene). In conjunction with experimental data, we use the model to characterize the effects of defects in these films. Our findings support the hypothesis that it is the directional crystallization of these films, rather than their defects, which causes anisotropic mobilities. © 2011 American Institute of Physics.

  6. Competition between spin, charge, and bond waves in a Peierls-Hubbard model

    International Nuclear Information System (INIS)

    Venegas, P.A.; Henriquez, C.; Roessler, J.

    1996-01-01

    We study a one-dimensional extended Peierls-Hubbard model coupled to intracell and intercell phonons for a half-filled band. The calculations are made using the Hartree-Fock and adiabatic approximations for arbitrary temperature. In addition to static spin, charge, and bond density waves, we predict intermediate phases that lack inversion symmetry, and phase transitions that reduce symmetry on increasing temperature. copyright 1996 The American Physical Society

  7. Numerical modeling on homogeneous charge compression ignition combustion engine fueled by diesel-ethanol blends

    OpenAIRE

    Hanafi H.; Hasan M.M; Rahman M.M; Noor M.M; Kadirgama K.; Ramasamy D.

    2016-01-01

    This paper investigates the performance and emission characteristics of HCCI engines fueled with oxygenated fuels (ethanol blend). A modeling study was conducted to investigate the impact of ethanol addition on the performance, combustion and emission characteristics of a Homogeneous Charge Compression Ignition (HCCI) engine fueled by diesel. One dimensional simulation was conducted using the renowned commercial software for diesel and its blend fuels with 5% (E5) and 10% ethanol (E10) (in vo...

  8. Application of economic models to estimate the acceptability of a vehicle congestion charge

    Directory of Open Access Journals (Sweden)

    José Carlos Jiménez Serpa

    2017-07-01

    Full Text Available Introduction: Through the study of the problems generated by vehicular traffic congestion during periods of maximum demand, the negative externality of congestion would be assessed using Multinomial Logit, Mixed and econometric models, and willingness to pay through a Pigouvian rate. Objective: In this article, we propose to implement a congestion charge to manage vehicular demand, through the application of declared preference gages and econometric models. Methodology: The study consists of the execution of 6 steps or stages: Background of the problem, Context of study, Methodological Foundations, Specification and estimation of the model, Estimation of the function average cost user and social marginal cost, Results obtained Discussion and report. Results: Analyzing the models obtained from the 2053 observations made through the declared preference surveys, it was observed that in order to discourage the use of the private car, a rate of COP 7000 per vehicle entering the congestion area or area should be charged, which would decrease the Use of Auto Particular in 68.7%, referring to this behavior we can say that the government policies that set the collection of the congestion charge is a policy that does not fit the perception of the users. Conclusions: This research identified the rate that reflects as closely as possible the marginal social cost and the generalized costs of each trip in terms of the impacts on the others. Now if we consider the marginal cost due to congestion, we have that the current demand is excessive, the users enjoy the benefit at a cost of $ 3,100COP, but impose to others a quota of $22,152COP. Finally, it is necessary to strengthen the legal basis with the regulation and creation of a National Vehicle Electronic Identification System, which will allow, in principle, charges for congestion.

  9. The algebra of non-local charges in non-linear sigma models

    International Nuclear Information System (INIS)

    Abdalla, E.; Abdalla, M.C.B.; Brunelli, J.C.; Zadra, A.

    1994-01-01

    It is derived the complete Dirac algebra satisfied by non-local charges conserved in non-linear sigma models. Some examples of calculation are given for the O(N) symmetry group. The resulting algebra corresponds to a saturated cubic deformation (with only maximum order terms) of the Kac-Moody algebra. The results are generalized for when a Wess-Zumino term be present. In that case the algebra contains a minor order correction (sub-saturation). (author). 1 ref

  10. A hybrid, coupled approach for modeling charged fluids from the nano to the mesoscale

    Science.gov (United States)

    Cheung, James; Frischknecht, Amalie L.; Perego, Mauro; Bochev, Pavel

    2017-11-01

    We develop and demonstrate a new, hybrid simulation approach for charged fluids, which combines the accuracy of the nonlocal, classical density functional theory (cDFT) with the efficiency of the Poisson-Nernst-Planck (PNP) equations. The approach is motivated by the fact that the more accurate description of the physics in the cDFT model is required only near the charged surfaces, while away from these regions the PNP equations provide an acceptable representation of the ionic system. We formulate the hybrid approach in two stages. The first stage defines a coupled hybrid model in which the PNP and cDFT equations act independently on two overlapping domains, subject to suitable interface coupling conditions. At the second stage we apply the principles of the alternating Schwarz method to the hybrid model by using the interface conditions to define the appropriate boundary conditions and volume constraints exchanged between the PNP and the cDFT subdomains. Numerical examples with two representative examples of ionic systems demonstrate the numerical properties of the method and its potential to reduce the computational cost of a full cDFT calculation, while retaining the accuracy of the latter near the charged surfaces.

  11. Solar lanterns for domestic lighting in India. Viability of central charging station model

    International Nuclear Information System (INIS)

    Chaurey, A.; Kandpal, T.C.

    2009-01-01

    About 68 million households in India rely on kerosene as a fuel for domestic lighting. Kerosene-based lighting devices, not only for poor quality of light, but also for the risks of indoor air pollution and fire hazards, etc. are not a desired option for domestic lighting purposes. Solar lantern is a better alternative in terms of its quality of illumination, durability and versatility of use. The dissemination model for solar lantern in India has so far been based on cash sales with or without the incentive of capital subsidy. This paper analyses several dissemination models including rental and fee-for-service based on centralized solar charging station concept for CFL- and LED-based designs of solar lanterns available in India. The basis of comparison is the acceptable daily costs or rental to the user as well as to the owner of the charging station. Further, the paper studies the impact of likely escalation in kerosene price on the acceptable daily rental and estimates the amount of subsidy required to make the charging station model viable for disseminating solar lanterns among rural households. (author)

  12. A comprehensive model of ion diffusion and charge exchange in the cold Io torus

    Science.gov (United States)

    Barbosa, D. D.; Moreno, M. A.

    1988-01-01

    A comprehensive analytic model of radial diffusion in the cold Io torus is developed. The model involves a generalized molecular cloud theory of SO2 and its dissociation fragments SO, O2, S, and O, which are formed at a relatively large rate by solar UV photodissociation of SO2. The key component of the new theory is SO, which can react with S(+) through a near-resonant charge exchange process that is exothermic. This provides a mechanism for the rapid depletion of singly ionized sulfur in the cold torus and can account for the large decrease in the total flux tube content inward of Io's orbit. The model is used to demonstrate quantitatively the effects of radial diffusion in a charge exchange environment that acts as a combined source and sink for ions in various charge states. A detailed quantitative explanation for the O(2+) component of the cold torus is given, and insight is derived into the workings of the so-called plasma 'ribbon'.

  13. A stepped leader model for lightning including charge distribution in branched channels

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Wei; Zhang, Li [School of Electrical Engineering, Shandong University, Jinan 250061 (China); Li, Qingmin, E-mail: lqmeee@ncepu.edu.cn [Beijing Key Lab of HV and EMC, North China Electric Power University, Beijing 102206 (China); State Key Lab of Alternate Electrical Power System with Renewable Energy Sources, Beijing 102206 (China)

    2014-09-14

    The stepped leader process in negative cloud-to-ground lightning plays a vital role in lightning protection analysis. As lightning discharge usually presents significant branched or tortuous channels, the charge distribution along the branched channels and the stochastic feature of stepped leader propagation were investigated in this paper. The charge density along the leader channel and the charge in the leader tip for each lightning branch were approximated by introducing branch correlation coefficients. In combination with geometric characteristics of natural lightning discharge, a stochastic stepped leader propagation model was presented based on the fractal theory. By comparing simulation results with the statistics of natural lightning discharges, it was found that the fractal dimension of lightning trajectory in simulation was in the range of that observed in nature and the calculation results of electric field at ground level were in good agreement with the measurements of a negative flash, which shows the validity of this proposed model. Furthermore, a new equation to estimate the lightning striking distance to flat ground was suggested based on the present model. The striking distance obtained by this new equation is smaller than the value estimated by previous equations, which indicates that the traditional equations may somewhat overestimate the attractive effect of the ground.

  14. A stepped leader model for lightning including charge distribution in branched channels

    International Nuclear Information System (INIS)

    Shi, Wei; Zhang, Li; Li, Qingmin

    2014-01-01

    The stepped leader process in negative cloud-to-ground lightning plays a vital role in lightning protection analysis. As lightning discharge usually presents significant branched or tortuous channels, the charge distribution along the branched channels and the stochastic feature of stepped leader propagation were investigated in this paper. The charge density along the leader channel and the charge in the leader tip for each lightning branch were approximated by introducing branch correlation coefficients. In combination with geometric characteristics of natural lightning discharge, a stochastic stepped leader propagation model was presented based on the fractal theory. By comparing simulation results with the statistics of natural lightning discharges, it was found that the fractal dimension of lightning trajectory in simulation was in the range of that observed in nature and the calculation results of electric field at ground level were in good agreement with the measurements of a negative flash, which shows the validity of this proposed model. Furthermore, a new equation to estimate the lightning striking distance to flat ground was suggested based on the present model. The striking distance obtained by this new equation is smaller than the value estimated by previous equations, which indicates that the traditional equations may somewhat overestimate the attractive effect of the ground.

  15. Negative differential mobility for negative carriers as revealed by space charge measurements on crosslinked polyethylene insulated model cables

    International Nuclear Information System (INIS)

    Teyssedre, G.; Laurent, C.; Vu, T. T. N.

    2015-01-01

    Among features observed in polyethylene materials under relatively high field, space charge packets, consisting in a pulse of net charge that remains in the form of a pulse as it crosses the insulation, are repeatedly observed but without complete theory explaining their formation and propagation. Positive charge packets are more often reported, and the models based on negative differential mobility(NDM) for the transport of holes could account for some charge packets phenomenology. Conversely, NDM for electrons transport has never been reported so far. The present contribution reports space charge measurements by pulsed electroacoustic method on miniature cables that are model of HVDC cables. The measurements were realized at room temperature or with a temperature gradient of 10 °C through the insulation under DC fields on the order 30–60 kV/mm. Space charge results reveal systematic occurrence of a negative front of charges generated at the inner electrode that moves toward the outer electrode at the beginning of the polarization step. It is observed that the transit time of the front of negative charge increases, and therefore the mobility decreases, with the applied voltage. Further, the estimated mobility, in the range 10 −14 –10 −13  m 2  V −1  s −1 for the present results, increases when the temperature increases for the same condition of applied voltage. The features substantiate the hypothesis of negative differential mobility used for modelling space charge packets

  16. Negative differential mobility for negative carriers as revealed by space charge measurements on crosslinked polyethylene insulated model cables

    Science.gov (United States)

    Teyssedre, G.; Vu, T. T. N.; Laurent, C.

    2015-12-01

    Among features observed in polyethylene materials under relatively high field, space charge packets, consisting in a pulse of net charge that remains in the form of a pulse as it crosses the insulation, are repeatedly observed but without complete theory explaining their formation and propagation. Positive charge packets are more often reported, and the models based on negative differential mobility(NDM) for the transport of holes could account for some charge packets phenomenology. Conversely, NDM for electrons transport has never been reported so far. The present contribution reports space charge measurements by pulsed electroacoustic method on miniature cables that are model of HVDC cables. The measurements were realized at room temperature or with a temperature gradient of 10 °C through the insulation under DC fields on the order 30-60 kV/mm. Space charge results reveal systematic occurrence of a negative front of charges generated at the inner electrode that moves toward the outer electrode at the beginning of the polarization step. It is observed that the transit time of the front of negative charge increases, and therefore the mobility decreases, with the applied voltage. Further, the estimated mobility, in the range 10-14-10-13 m2 V-1 s-1 for the present results, increases when the temperature increases for the same condition of applied voltage. The features substantiate the hypothesis of negative differential mobility used for modelling space charge packets.

  17. Self-Consistent Approach to Global Charge Neutrality in Electrokinetics: A Surface Potential Trap Model

    Directory of Open Access Journals (Sweden)

    Li Wan

    2014-03-01

    Full Text Available In this work, we treat the Poisson-Nernst-Planck (PNP equations as the basis for a consistent framework of the electrokinetic effects. The static limit of the PNP equations is shown to be the charge-conserving Poisson-Boltzmann (CCPB equation, with guaranteed charge neutrality within the computational domain. We propose a surface potential trap model that attributes an energy cost to the interfacial charge dissociation. In conjunction with the CCPB, the surface potential trap can cause a surface-specific adsorbed charge layer σ. By defining a chemical potential μ that arises from the charge neutrality constraint, a reformulated CCPB can be reduced to the form of the Poisson-Boltzmann equation, whose prediction of the Debye screening layer profile is in excellent agreement with that of the Poisson-Boltzmann equation when the channel width is much larger than the Debye length. However, important differences emerge when the channel width is small, so the Debye screening layers from the opposite sides of the channel overlap with each other. In particular, the theory automatically yields a variation of σ that is generally known as the “charge regulation” behavior, attendant with predictions of force variation as a function of nanoscale separation between two charged surfaces that are in good agreement with the experiments, with no adjustable or additional parameters. We give a generalized definition of the ζ potential that reflects the strength of the electrokinetic effect; its variations with the concentration of surface-specific and surface-nonspecific salt ions are shown to be in good agreement with the experiments. To delineate the behavior of the electro-osmotic (EO effect, the coupled PNP and Navier-Stokes equations are solved numerically under an applied electric field tangential to the fluid-solid interface. The EO effect is shown to exhibit an intrinsic time dependence that is noninertial in its origin. Under a step-function applied

  18. A MODEL FOR THE ELECTRICALLY CHARGED CURRENT SHEET OF A PULSAR

    Energy Technology Data Exchange (ETDEWEB)

    DeVore, C. R.; Antiochos, S. K.; Black, C. E. [Heliophysics Science Division, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20771 (United States); Harding, A. K.; Kalapotharakos, C.; Kazanas, D.; Timokhin, A. N., E-mail: c.richard.devore@nasa.gov [Astrophysics Science Division, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20771 (United States)

    2015-03-10

    Global-scale solutions for the magnetosphere of a pulsar consist of a region of low-lying, closed magnetic field near the star, bounded by opposite-polarity regions of open magnetic field along which the pulsar wind flows into space. Separating these open-field regions is a magnetic discontinuity—an electric current sheet—consisting of generally nonneutral plasma. We have developed a self-consistent model for the internal equilibrium structure of the sheet by generalizing the charge-neutral Vlasov/Maxwell equilibria of Harris and Hoh to allow for net electric charge. The resulting equations for the electromagnetic field are solved analytically and numerically. Our results show that the internal thermal pressure needed to establish equilibrium force balance, and the associated effective current-sheet thickness and magnetization, can differ by orders of magnitude from the Harris/Hoh charge-neutral limit. The new model provides a starting point for kinetic or fluid investigations of instabilities that can cause magnetic reconnection and flaring in pulsar magnetospheres.

  19. A dynamic parking charge optimal control model under perspective of commuters' evolutionary game behavior

    Science.gov (United States)

    Lin, XuXun; Yuan, PengCheng

    2018-01-01

    In this research we consider commuters' dynamic learning effect by modeling the trip mode choice behavior from a new perspective of dynamic evolutionary game theory. We explore the behavior pattern of different types of commuters and study the evolution path and equilibrium properties under different traffic conditions. We further establish a dynamic parking charge optimal control (referred to as DPCOC) model to alter commuters' trip mode choice while minimizing the total social cost. Numerical tests show. (1) Under fixed parking fee policy, the evolutionary results are completely decided by the travel time and the only method for public transit induction is to increase the parking charge price. (2) Compared with fixed parking fee policy, DPCOC policy proposed in this research has several advantages. Firstly, it can effectively turn the evolutionary path and evolutionary stable strategy to a better situation while minimizing the total social cost. Secondly, it can reduce the sensitivity of trip mode choice behavior to traffic congestion and improve the ability to resist interferences and emergencies. Thirdly, it is able to control the private car proportion to a stable state and make the trip behavior more predictable for the transportation management department. The research results can provide theoretical basis and decision-making references for commuters' mode choice prediction, dynamic setting of urban parking charge prices and public transit induction.

  20. Models of charge transport and transfer in molecular switch tunnel junctions of bistable catenanes and rotaxanes

    International Nuclear Information System (INIS)

    Flood, Amar H.; Wong, Eric W.; Stoddart, J. Fraser

    2006-01-01

    The processes by which charge transfer can occur play a foundational role in molecular electronics. Here we consider simplified models of the transfer processes that could be present in bistable molecular switch tunnel junction (MSTJ) devices during one complete cycle of the device from its low- to high- and back to low-conductance state. The bistable molecular switches, which are composed of a monolayer of either switchable catenanes or rotaxanes, exist in either a ground-state co-conformation or a metastable one in which the conduction properties of the two co-conformations, when measured at small biases (+0.1 V), are significantly different irrespective of whether transport is dominated by tunneling or hopping. The voltage-driven generation (±2 V) of molecule-based redox states, which are sufficiently long-lived to allow the relative mechanical movements necessary to switch between the two co-conformations, rely upon unequal charge transfer rates on to and/or off of the molecules. Surface-enhanced Raman spectroscopy has been used to image the ground state of the bistable rotaxane in MSTJ-like devices. Consideration of these models provide new ways of looking at molecular electronic devices that rely, not only on nanoscale charge-transport, but also upon the bustling world of molecular motion in mechanically interlocked bistable molecules

  1. Phase behavior of mixtures of oppositely charged nanoparticles: Heterogeneous Poisson-Boltzmann cell model applied to lysozyme and succinylated lysozyme

    NARCIS (Netherlands)

    Biesheuvel, P.M.; Lindhoud, S.; Vries, de R.J.; Stuart, M.A.C.

    2006-01-01

    We study the phase behavior of mixtures of oppositely charged nanoparticles, both theoretically and experimentally. As an experimental model system we consider mixtures of lysozyme and lysozyme that has been chemically modified in such a way that its charge is nearly equal in magnitude but opposite

  2. Modelling of space-charge accumulation process in dielectrics of MDS structures under irradiation

    International Nuclear Information System (INIS)

    Gurtov, V.A.; Nazarov, A.I.; Travkov, I.V.

    1990-01-01

    Results of numerical modelling of radiation-induced space charge (RISC) accumulation in MOS structure silicon dioxide are given. Diffusion-drift model which takes account of trap heterogeneous distribution within dielectric volume and channeling of carriers captured at traps represents basis for calculations. Main physical processes affecting RISC accumulation are picked out and character of capture filling in dielectric volume under stress in MOS structure shutter during irradiation on the basis of comparison of experimental results for different thickness oxides with calculation data are predicted

  3. Phase diagram of the restricted primitive model: charge-ordering instability

    Directory of Open Access Journals (Sweden)

    O.V.Patsahan

    2004-01-01

    Full Text Available We study the phase behaviour of the restricted primitive model (RPM using a microscopic approach based on the method of collective variables with a reference system. Starting from the Hamiltonian of the RPM we derive the functional of the grand partition function given in terms of the two collective variables: the collective variables ρk and ck describing fluctuations of the total number density and charge density, respectively. Within the framework of the Gaussian approximation we found the boundary of stability with respect to fluctuations of the charge density. It is shown that due to the approximated character of the theory the boundary of stability is very sensitive to the particular choice of the long-range part of potential inside the hard core. This point is discussed in more detail.

  4. Z/sub N/ topology and charge confinement in SU(N) Higgs models

    International Nuclear Information System (INIS)

    Ezawa, Z.F.; Iwazaki, A.

    1981-01-01

    We analyze topological effects in frozen SU(N) Higgs models in continuous space-time, where topological excitations are Z/sub N/ vortices together with associated Z/sub N/ monopoles. The space dimension is either two or three. We show that vortex condensation generates magnetic gauge symmetry and that monopole condensation leads to a spontaneous breakdown of this symmetry. By summing up all possible excitation modes of Z/sub N/ vortices and Z/sub N/ monopoles, we derive an effective Lagrangian in the strong-coupling regime. We obtain the following conclusions: (i) if external charges are introduced in the fundamental representation, they are confined by electric vortex strings, and (ii) if external charges are introduced in the adjoint representation, they are screened completely

  5. Transfer of electrical space charge from corona between ground and thundercloud: Measurements and modeling

    Science.gov (United States)

    Soula, Serge

    1994-01-01

    The evolution of the vertical electric field profile deduced from simultaneous field measurements at several levels below a thundercloud shows the development of a space charge layer at least up to 600 m. The average charge density in the whole layer from 0 m to 600 m can reach about 1 nC m(exp -3). The ions are generated at the ground by corona effect and the production rate is evaluated with a new method from the comparison of field evolutions at the ground and at altitude after a lightning flash. The modeling of the relevant processes shows tht ground corona accounts for the observed field evolutions and that the aerosol particles concentration has a very large effect on the evolution of corona ions. However, with a realistic value for this concentration a large amount of ground corona ions reach the level of 600 m.

  6. Multiplicity of pre-scission charged particle emission by a statistical model

    International Nuclear Information System (INIS)

    Matsuse, Takehiro

    1996-01-01

    With introducing the limitation (E cut-off ) not to excite all statistically permitted scission parts in the phase integral at the scission point, we try to reproduce the multiplicity of pre-scission charged particle emission of 86 Kr (E lab =890 MeV)+ 27 Al by the cascade calculation of the extended Hauser-Feshbach method (EHM). The physical image is explained from a point of view of the life time for the statistical model of the compound nuclei. When E cut-off parameter is bout 80 MeV, the cross section of scission and the loss of pre-scission charged particle seemed to be reproduced. The average pre-scission time is about 1.7 x 10 -20 sec. The essential problem of the life time of compound nuclei is explained. (S.Y.)

  7. On the SLq(2) extension of the standard model and the concept of charge

    Science.gov (United States)

    Finkelstein, Robert J.

    2017-01-01

    Our SLq(2) extension of the standard model is constructed by replacing the elementary field operators, Ψ(x), of the standard model by Ψ̂mm‧j(x)D mm‧j where Dmm‧j is an element of the (2j + 1)-dimensional representation of the SLq(2) algebra, which is also the knot algebra. The allowed quantum states (j,m,m‧) are restricted by the topological conditions (j,m,m‧) = 1 2(N,w,r + o) postulated between the states of the quantum knot (j,m,m‧) and the corresponding classical knot (N,w,r + o) where the (N,w,r) are (the number of crossings, the writhe, the rotation) of the 2d projection of the corresponding oriented classical knot. Here, o is an odd number that is required by the difference in parity between w and r. There is also the empirical restriction on the allowed states (j,m,m‧) = 3(t,-t 3,-t0)L that holds at the j = 3 2 level, connecting quantum trefoils 3 2,m,m‧ with leptons and quarks 1 2,-t3,-t0L. The so-constructed knotted leptons and quarks turn out to be composed of three j = 1 2 particles which unexpectedly agree with the preon models of Harrari and Shupe. The j = 0 particles, being electroweak neutral, are dark and plausibly greatly outnumber the quarks and leptons. The SLq(2) or (j,m,m‧) measure of charge has a direct physical interpretation since 2j is the total number of preonic charges while 2m and 2m‧ are the numbers of writhe and rotation sources of preonic charge. The total SLq(2) charge of a particle, measured by writhe and rotation and composed of preons, sums the signs of the counterclockwise turns (+1) and clockwise turns (-1) that any energy-momentum current makes in going once around the knot. In this way, the handedness of the knot reduces charge to a geometric concept similar to the way that curvature of space-time encodes mass and energy. According to this model, the leptons and quarks are j = 3 2 particles, the preons are j = 1 2 particles, and the j = 0 particles are candidates for dark matter. It is possible to

  8. Prediction Model of Battery State of Charge and Control Parameter Optimization for Electric Vehicle

    Directory of Open Access Journals (Sweden)

    Bambang Wahono

    2015-07-01

    Full Text Available This paper presents the construction of a battery state of charge (SOC prediction model and the optimization method of the said model to appropriately control the number of parameters in compliance with the SOC as the battery output objectives. Research Centre for Electrical Power and Mechatronics, Indonesian Institute of Sciences has tested its electric vehicle research prototype on the road, monitoring its voltage, current, temperature, time, vehicle velocity, motor speed, and SOC during the operation. Using this experimental data, the prediction model of battery SOC was built. Stepwise method considering multicollinearity was able to efficiently develops the battery prediction model that describes the multiple control parameters in relation to the characteristic values such as SOC. It was demonstrated that particle swarm optimization (PSO succesfully and efficiently calculated optimal control parameters to optimize evaluation item such as SOC based on the model.

  9. Model for screened, charge-regulated electrostatics of an eye lens protein: Bovine gammaB-crystallin

    Science.gov (United States)

    Wahle, Christopher W.; Martini, K. Michael; Hollenbeck, Dawn M.; Langner, Andreas; Ross, David S.; Hamilton, John F.; Thurston, George M.

    2017-09-01

    We model screened, site-specific charge regulation of the eye lens protein bovine gammaB-crystallin (γ B ) and study the probability distributions of its proton occupancy patterns. Using a simplified dielectric model, we solve the linearized Poisson-Boltzmann equation to calculate a 54 ×54 work-of-charging matrix, each entry being the modeled voltage at a given titratable site, due to an elementary charge at another site. The matrix quantifies interactions within patches of sites, including γ B charge pairs. We model intrinsic p K values that would occur hypothetically in the absence of other charges, with use of experimental data on the dependence of p K values on aqueous solution conditions, the dielectric model, and literature values. We use Monte Carlo simulations to calculate a model grand-canonical partition function that incorporates both the work-of-charging and the intrinsic p K values for isolated γ B molecules and we calculate the probabilities of leading proton occupancy configurations, for 4 Debye screening lengths from 6 to 20 Å. We select the interior dielectric value to model γ B titration data. At p H 7.1 and Debye length 6.0 Å, on a given γ B molecule the predicted top occupancy pattern is present nearly 20% of the time, and 90% of the time one or another of the first 100 patterns will be present. Many of these occupancy patterns differ in net charge sign as well as in surface voltage profile. We illustrate how charge pattern probabilities deviate from the multinomial distribution that would result from use of effective p K values alone and estimate the extents to which γ B charge pattern distributions broaden at lower p H and narrow as ionic strength is lowered. These results suggest that for accurate modeling of orientation-dependent γ B -γ B interactions, consideration of numerous pairs of proton occupancy patterns will be needed.

  10. 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.

  11. Charge collection efficiency degradation induced by MeV ions in semiconductor devices: Model and experiment

    Energy Technology Data Exchange (ETDEWEB)

    Vittone, E., E-mail: ettore.vittone@unito.it [Department of Physics, NIS Research Centre and CNISM, University of Torino, via P. Giuria 1, 10125 Torino (Italy); Pastuovic, Z. [Centre for Accelerator Science (ANSTO), Locked bag 2001, Kirrawee DC, NSW 2234 (Australia); Breese, M.B.H. [Centre for Ion Beam Applications (CIBA), Department of Physics, National University of Singapore, Singapore 117542 (Singapore); Garcia Lopez, J. [Centro Nacional de Aceleradores (CNA), Sevilla University, J. Andalucia, CSIC, Av. Thomas A. Edison 7, 41092 Sevilla (Spain); Jaksic, M. [Department for Experimental Physics, Ruder Boškovic Institute (RBI), P.O. Box 180, 10002 Zagreb (Croatia); Raisanen, J. [Department of Physics, University of Helsinki, Helsinki 00014 (Finland); Siegele, R. [Centre for Accelerator Science (ANSTO), Locked bag 2001, Kirrawee DC, NSW 2234 (Australia); Simon, A. [International Atomic Energy Agency (IAEA), Vienna International Centre, P.O. Box 100, 1400 Vienna (Austria); Institute of Nuclear Research of the Hungarian Academy of Sciences (ATOMKI), Debrecen (Hungary); Vizkelethy, G. [Sandia National Laboratories (SNL), PO Box 5800, Albuquerque, NM (United States)

    2016-04-01

    Highlights: • We study the electronic degradation of semiconductors induced by ion irradiation. • The experimental protocol is based on MeV ion microbeam irradiation. • The radiation induced damage is measured by IBIC. • The general model fits the experimental data in the low level damage regime. • Key parameters relevant to the intrinsic radiation hardness are extracted. - Abstract: This paper investigates both theoretically and experimentally the charge collection efficiency (CCE) degradation in silicon diodes induced by energetic ions. Ion Beam Induced Charge (IBIC) measurements carried out on n- and p-type silicon diodes which were previously irradiated with MeV He ions show evidence that the CCE degradation does not only depend on the mass, energy and fluence of the damaging ion, but also depends on the ion probe species and on the polarization state of the device. A general one-dimensional model is derived, which accounts for the ion-induced defect distribution, the ionization profile of the probing ion and the charge induction mechanism. Using the ionizing and non-ionizing energy loss profiles resulting from simulations based on the binary collision approximation and on the electrostatic/transport parameters of the diode under study as input, the model is able to accurately reproduce the experimental CCE degradation curves without introducing any phenomenological additional term or formula. Although limited to low level of damage, the model is quite general, including the displacement damage approach as a special case and can be applied to any semiconductor device. It provides a method to measure the capture coefficients of the radiation induced recombination centres. They can be considered indexes, which can contribute to assessing the relative radiation hardness of semiconductor materials.

  12. Charge and transition densities of samarium isotopes in the interacting Boson model

    International Nuclear Information System (INIS)

    Moinester, M.A.; Alster, J.; Dieperink, A.E.L.

    1982-01-01

    The interacting boson approximation (IBA) model has been used to interpret the ground-state charge distributions and lowest 2 + transition charge densities of the even samarium isotopes for A = 144-154. Phenomenological boson transition densities associated with the nucleons comprising the s-and d-bosons of the IBA were determined via a least squares fit analysis of charge and transition densities in the Sm isotopes. The application of these boson trasition densities to higher excited 0 + and 2 + states of Sm, and to 0 + and 2 + transitions in neighboring nuclei, such as Nd and Gd, is described. IBA predictions for the transition densities of the three lowest 2 + levels of 154 Gd are given and compared to theoretical transition densities based on Hartree-Fock calculations. The deduced quadrupole boson transition densities are in fair agreement with densities derived previously from 150 Nd data. It is also shown how certain moments of the best fit boson transition densities can simply and sucessfully describe rms radii, isomer shifts, B(E2) strengths, and transition radii for the Sm isotopes. (orig.)

  13. Modelling of Coke Layer Collapse during Ore Charging in Ironmaking Blast Furnace by DEM

    Science.gov (United States)

    Narita, Yoichi; Mio, Hiroshi; Orimoto, Takashi; Nomura, Seiji

    2017-06-01

    A technical issue in an ironmaking blast furnace operation is to realize the optimum layer thickness and the radial distribution of burden (ore and coke) to enhance its efficiency and productivity. When ore particles are charged onto the already-embedded coke layer, the coke layer-collapse phenomenon occurs. The coke layer-collapse phenomenon has a significant effect on the distribution of ore and coke layer thickness in the radial direction. In this paper, the mechanical properties of coke packed bed under ore charging were investigated by the impact-loading test and the large-scale direct shear test. Experimental results show that the coke particle is broken by the impact force of ore charging, and the particle breakage leads to weaken of coke-layer strength. The expression of contact force for coke in Discrete Element Method (DEM) was modified based on the measured data, and it followed by the 1/3-scaled experiment on coke's collapse phenomena. Comparing a simulation by modified model to the 1/3-scaled experiment, they agreed well in the burden distribution.

  14. Comparisons Between Model Predictions and Spectral Measurements of Charged and Neutral Particles on the Martian Surface

    Science.gov (United States)

    Kim, Myung-Hee Y.; Cucinotta, Francis A.; Zeitlin, Cary; Hassler, Donald M.; Ehresmann, Bent; Rafkin, Scot C. R.; Wimmer-Schweingruber, Robert F.; Boettcher, Stephan; Boehm, Eckart; Guo, Jingnan; hide

    2014-01-01

    Detailed measurements of the energetic particle radiation environment on the surface of Mars have been made by the Radiation Assessment Detector (RAD) on the Curiosity rover since August 2012. RAD is a particle detector that measures the energy spectrum of charged particles (10 to approx. 200 MeV/u) and high energy neutrons (approx 8 to 200 MeV). The data obtained on the surface of Mars for 300 sols are compared to the simulation results using the Badhwar-O'Neill galactic cosmic ray (GCR) environment model and the high-charge and energy transport (HZETRN) code. For the nuclear interactions of primary GCR through Mars atmosphere and Curiosity rover, the quantum multiple scattering theory of nuclear fragmentation (QMSFRG) is used. For describing the daily column depth of atmosphere, daily atmospheric pressure measurements at Gale Crater by the MSL Rover Environmental Monitoring Station (REMS) are implemented into transport calculations. Particle flux at RAD after traversing varying depths of atmosphere depends on the slant angles, and the model accounts for shielding of the RAD "E" dosimetry detector by the rest of the instrument. Detailed comparisons between model predictions and spectral data of various particle types provide the validation of radiation transport models, and suggest that future radiation environments on Mars can be predicted accurately. These contributions lend support to the understanding of radiation health risks to astronauts for the planning of various mission scenarios

  15. Feasibility Study of a Solar-Powered Electric Vehicle Charging Station Model

    Directory of Open Access Journals (Sweden)

    Bin Ye

    2015-11-01

    Full Text Available In China, the power sector is currently the largest carbon emitter and the transportation sector is the fastest-growing carbon emitter. This paper proposes a model of solar-powered charging stations for electric vehicles to mitigate problems encountered in China’s renewable energy utilization processes and to cope with the increasing power demand by electric vehicles for the near future. This study applies the proposed model to Shenzhen City to verify its technical and economic feasibility. Modeling results showed that the total net present value of a photovoltaic power charging station that meets the daily electricity demand of 4500 kWh is $3,579,236 and that the cost of energy of the combined energy system is $0.098/kWh. In addition, the photovoltaic powered electric vehicle model has pollutant reduction potentials of 99.8%, 99.7% and 100% for carbon dioxide, sulfur dioxide, and nitrogen oxides, respectively, compared with a traditional gasoline-fueled car. Sensitivity analysis results indicated that interest rate has a relatively strong influence on COE (Cost of Energy. An increase in the interest rate from 0% to 6% increases COE from $0.027/kWh to $0.097/kWh. This analysis also suggests that carbon pricing promotes renewable energy only when the price of carbon is above $20/t.

  16. The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation model

    Energy Technology Data Exchange (ETDEWEB)

    Sundararaman, Ravishankar; Goddard, William A. [Joint Center for Artificial Photosynthesis, Pasadena, California 91125 (United States)

    2015-02-14

    Many important applications of electronic structure methods involve molecules or solid surfaces in a solvent medium. Since explicit treatment of the solvent in such methods is usually not practical, calculations often employ continuum solvation models to approximate the effect of the solvent. Previous solvation models either involve a parametrization based on atomic radii, which limits the class of applicable solutes, or based on solute electron density, which is more general but less accurate, especially for charged systems. We develop an accurate and general solvation model that includes a cavity that is a nonlocal functional of both solute electron density and potential, local dielectric response on this nonlocally determined cavity, and nonlocal approximations to the cavity-formation and dispersion energies. The dependence of the cavity on the solute potential enables an explicit treatment of the solvent charge asymmetry. With four parameters per solvent, this “CANDLE” model simultaneously reproduces solvation energies of large datasets of neutral molecules, cations, and anions with a mean absolute error of 1.8 kcal/mol in water and 3.0 kcal/mol in acetonitrile.

  17. Toward an innovative stochastic modeling of electric charges loss through dielectric

    Directory of Open Access Journals (Sweden)

    Micolau G.

    2016-01-01

    Full Text Available This paper deals with new stochastic modeling of very low tunneling currents in Non-Volatile Memories. For this purpose, we first develop current measurement method based on Floating Gate technique. In order to reach the long time behavior of electrical dynamic, we aim at using very basic tools (power supply, multimeter... but still having a very good current resolution. Also, our measurement is led in a very particular low-noise environment (underground laboratory allowing to keep the electrical contacts on the device under test as long as possible. After showing the feasibility of such measurements, we present a modeling approach of the charge loss process inside the Non-volatile Memories by using mathematical tool involving long memory effect. The model is based on stochastic counting process with memory effect yielding to a fractional relaxation equation for the charge loss over time. The main interest of the present model lies in the fact that the corresponding inversion problem involves only two parameters that can be carried out efficiently.

  18. Inner shell coulomb ionization by heavy charged particles studied by the SCA model

    International Nuclear Information System (INIS)

    Hansteen, J.M.

    1976-06-01

    An outline is given of the development of and some achievements hitherto gained from the semi-classical approximation (SCA) model of atomic Coulomb excitation by heavy charged particles. A few very recent results (1975-1976) are incorporated in the discussion. The SCA model has by now reached a mature state. Hence it seems reasonable to regard the atomic Coulomb excitation phenomenon as part of the extremely complicated excitation mechanism operative in the general ion-atom collision. A clear understanding of the complicated X-ray producing mechanisms in heavy-ion-atom collisions is lacking at present. Despite these facts, the conceptually simple SCA model has furthered our understanding far beyond initial expectations. Moreover, this model has at the same time provided a well-founded starting point for continued researches in this rapidly expanding field of physics. (JIW)

  19. Understanding sensitization behavior of lead selenide photoconductive detectors by charge separation model

    International Nuclear Information System (INIS)

    Zhao, Lihua; Qiu, Jijun; Weng, Binbin; Chang, Caleb; Yuan, Zijian; Shi, Zhisheng

    2014-01-01

    We introduce a charge separation model in this work to explain the mechanism of enhanced photoconductivity of polycrystalline lead salt photoconductors. Our results show that this model could clarify the heuristic fabrication processes of such lead salt detectors that were not well understood and often considered mysterious for nearly a century. The improved lifetime and performance of the device, e.g., responsivity, are attributed to the spatial separation of holes and electrons, hence less possibility of carrier recombination. This model shows that in addition to crystal quality the size of crystallites, the depth of outer conversion layer, and doping concentration could all affect detector performance. The simulation results agree well with experimental results and thus offer a very useful tool for further improvement of lead salt detectors. The model was developed with lead salt family of photoconductors in mind, but may well be applicable to a wider class of semiconducting films

  20. 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.

  1. Developing Antimatter Containment Technology: Modeling Charged Particle Oscillations in a Penning-Malmberg Trap

    Science.gov (United States)

    Chakrabarti, S.; Martin, J. J.; Pearson, J. B.; Lewis, R. A.

    2003-01-01

    The NASA MSFC Propulsion Research Center (PRC) is conducting a research activity examining the storage of low energy antiprotons. The High Performance Antiproton Trap (HiPAT) is an electromagnetic system (Penning-Malmberg design) consisting of a 4 Tesla superconductor, a high voltage confinement electrode system, and an ultra high vacuum test section; designed with an ultimate goal of maintaining charged particles with a half-life of 18 days. Currently, this system is being experimentally evaluated using normal matter ions which are cheap to produce and relatively easy to handle and provide a good indication of overall trap behavior, with the exception of assessing annihilation losses. Computational particle-in-cell plasma modeling using the XOOPIC code is supplementing the experiments. Differing electrode voltage configurations are employed to contain charged particles, typically using flat, modified flat and harmonic potential wells. Ion cloud oscillation frequencies are obtained experimentally by amplification of signals induced on the electrodes by the particle motions. XOOPIC simulations show that for given electrode voltage configurations, the calculated charged particle oscillation frequencies are close to experimental measurements. As a two-dimensional axisymmetric code, XOOPIC cannot model azimuthal plasma variations, such as those induced by radio-frequency (RF) modulation of the central quadrupole electrode in experiments designed to enhance ion cloud containment. However, XOOPIC can model analytically varying electric potential boundary conditions and particle velocity initial conditions. Application of these conditions produces ion cloud axial and radial oscillation frequency modes of interest in achieving the goal of optimizing HiPAT for reliable containment of antiprotons.

  2. Nonuniversal critical behaviour in a model for charge density wave dynamics

    International Nuclear Information System (INIS)

    Ritala, R.K.; Hertz, J.A.

    1986-02-01

    We have studied short range fluctuations around the infinite-range model of charge density wave (CDW) dynamics. We find that the inhomogeneity of the local field, which is neglected in the infinite-range approximation has a dramatic effect on the transition. In the Bethe approximation the critical behaviour is nonuniversal. In particular, the current exponent is ζ = 3/2 log(z-1)/[log(z)]+log(1+f/J)], where z is the number of neighbors, f the pinning strength, and J the elastic coupling. (orig.)

  3. Advertising Pricing Models in Media Markets: Lump-Sum versus Per-Consumer Charges

    OpenAIRE

    Helmut Dietl; Markus Lang; Panlang Lin

    2012-01-01

    This paper develops a model of asymmetric competition between a pay and a free media platform. The pay media platform generates revenues from media consumers through subscription fees, while the free media platform generates revenues from charging advertisers either on a lump-sum basis (regime A) or on a per-consumer basis (regime B). We show that the free platform produces a higher advertising level and attracts more consumers in regime A than B although advertisers must pay more for ads and...

  4. High energy charge exchange np and antipp scattering using the dual fermion model

    International Nuclear Information System (INIS)

    Weigt, G.

    1976-01-01

    The five independent helicity amplitudes Phisub(i)(s, t) calculated by Mandelstam from the Neveu-Schwarz-Ramond model for fermion-antifermion scattering are used in the Regge limit for a phenomenological description of high energy np and antipp charge exchange scattering. A forward spike which widens with increasing energy as well as an energy dependence changing from lower to higher energy data are reproduced by these non-evasive dual Born amplitudes using π, A 2 and rho Regge pole t-channel exchanges. (author)

  5. Modelling of dielectric hysteresis loops in ferroelectric semiconductors with charged defects

    International Nuclear Information System (INIS)

    Morozovska, Anna N; Eliseev, Eugene A

    2004-01-01

    We have proposed the phenomenological description of dielectric hysteresis loops in ferroelectric semiconductors with charged defects and prevailing extrinsic conductivity. We have modified the Landau-Ginsburg approach and shown that the macroscopic state of the aforementioned inhomogeneous system can be described by three coupled equations for three order parameters. Both the experimentally observed coercive field values well below the thermodynamic values and the various hysteresis-loop deformations (constricted and double loops) have been obtained in the framework of our model. The obtained results quantitatively explain the ferroelectric switching in such ferroelectric materials as thick PZT films

  6. Modelling of charged satellite motion in Earth's gravitational and magnetic fields

    Science.gov (United States)

    Abd El-Bar, S. E.; Abd El-Salam, F. A.

    2018-05-01

    In this work Lagrange's planetary equations for a charged satellite subjected to the Earth's gravitational and magnetic force fields are solved. The Earth's gravity, and magnetic and electric force components are obtained and expressed in terms of orbital elements. The variational equations of orbit with the considered model in Keplerian elements are derived. The solution of the problem in a fully analytical way is obtained. The temporal rate of changes of the orbital elements of the spacecraft are integrated via Lagrange's planetary equations and integrals of the normalized Keplerian motion obtained by Ahmed (Astron. J. 107(5):1900, 1994).

  7. Study of the pressure dependence of dielectric properties of ionic crystals with the exchange-charge model

    Energy Technology Data Exchange (ETDEWEB)

    Batana, A; Faour, J

    1987-03-01

    The formalism of the exchange-charge model (ECM) is extended for studying the pressure dependence of the static dielectric constant and the volume dependence of the effective ionic charge for b.c.c. lattices. Calculated values for CsCl, CsBr, CsI, and TlBr together with the simple shell model values and experimental values are listed and discussed.

  8. Equivalent charge source model based iterative maximum neighbor weight for sparse EEG source localization.

    Science.gov (United States)

    Xu, Peng; Tian, Yin; Lei, Xu; Hu, Xiao; Yao, Dezhong

    2008-12-01

    How to localize the neural electric activities within brain effectively and precisely from the scalp electroencephalogram (EEG) recordings is a critical issue for current study in clinical neurology and cognitive neuroscience. In this paper, based on the charge source model and the iterative re-weighted strategy, proposed is a new maximum neighbor weight based iterative sparse source imaging method, termed as CMOSS (Charge source model based Maximum neighbOr weight Sparse Solution). Different from the weight used in focal underdetermined system solver (FOCUSS) where the weight for each point in the discrete solution space is independently updated in iterations, the new designed weight for each point in each iteration is determined by the source solution of the last iteration at both the point and its neighbors. Using such a new weight, the next iteration may have a bigger chance to rectify the local source location bias existed in the previous iteration solution. The simulation studies with comparison to FOCUSS and LORETA for various source configurations were conducted on a realistic 3-shell head model, and the results confirmed the validation of CMOSS for sparse EEG source localization. Finally, CMOSS was applied to localize sources elicited in a visual stimuli experiment, and the result was consistent with those source areas involved in visual processing reported in previous studies.

  9. Numerical modeling of the initial fluctuation condensation stage with charge drops

    Science.gov (United States)

    Averina, T. A.; Zmievskaya, G. I.

    2016-11-01

    This paper deals with a mathematical model of the phase transition of the first kind at the initial stage of forming drops in a liquid or in melted state in a volume of steam with a fixed charge on drops. The model of the process is represented by superposition of random diffusion and jump stochastic processes. The algorithms for solving stochastic differential equations (SDEs) of the model of processes, which form the cluster size, allow one to calculate a distribution function of drops according to their size. The kinetic approach makes possible evaluate the role of the Rayleigh capillary instability at the initial condensation stage and to employ the analysis of electrodispersion mechanisms in the production of metal and semiconductor powders.

  10. Charge based DC compact modeling of bulk FinFET transistor

    Science.gov (United States)

    Cerdeira, A.; Garduño, I.; Tinoco, J.; Ritzenthaler, R.; Franco, J.; Togo, M.; Chiarella, T.; Claeys, C.

    2013-09-01

    Multiple-gate MOSFETs became an industrial reality in the last years. Due to a pragmatic trade-off between CMOS process baselines compatibility, improved performance compared to planar bulk architecture, and cost, bulk FinFETs emerged as the technological solution to provide downscaling for the 14/22 nm technological nodes. In this work, a charge based DC compact model based on the SDDG Model is demonstrated for this new generation of FinFET transistors and describes continuously the transistor characteristics in all operating regions. Validating the model against two bulk FinFET baselines (NMOS, PMOS, various gate lengths and EOT), an excellent agreement is found for transfer and output characteristics (linear and saturation regimes), transconductance/output conductance, and gm/IDS characteristics. Temperature dependence is also taken into account and validated (T range from 25 °C up to 175 °C).

  11. Modeling the Charge Transport in Graphene Nano Ribbon Interfaces for Nano Scale Electronic Devices

    Science.gov (United States)

    Kumar, Ravinder; Engles, Derick

    2015-05-01

    In this research work we have modeled, simulated and compared the electronic charge transport for Metal-Semiconductor-Metal interfaces of Graphene Nano Ribbons (GNR) with different geometries using First-Principle calculations and Non-Equilibrium Green's Function (NEGF) method. We modeled junctions of Armchair GNR strip sandwiched between two Zigzag strips with (Z-A-Z) and Zigzag GNR strip sandwiched between two Armchair strips with (A-Z-A) using semi-empirical Extended Huckle Theory (EHT) within the framework of Non-Equilibrium Green Function (NEGF). I-V characteristics of the interfaces were visualized for various transport parameters. The distinct changes in conductance and I-V curves reported as the Width across layers, Channel length (Central part) was varied at different bias voltages from -1V to 1 V with steps of 0.25 V. From the simulated results we observed that the conductance through A-Z-A graphene junction is in the range of 10-13 Siemens whereas the conductance through Z-A-Z graphene junction is in the range of 10-5 Siemens. These suggested conductance controlled mechanisms for the charge transport in the graphene interfaces with different geometries is important for the design of graphene based nano scale electronic devices like Graphene FETs, Sensors.

  12. Charge and current orders in the spin-fermion model with overlapping hot spots

    Science.gov (United States)

    Volkov, Pavel A.; Efetov, Konstantin B.

    2018-04-01

    Experiments carried over the last years on the underdoped cuprates have revealed a variety of symmetry-breaking phenomena in the pseudogap state. Charge-density waves, breaking of C4 rotational symmetry as well as time-reversal symmetry breaking have all been observed in several cuprate families. In this regard, theoretical models where multiple nonsuperconducting orders emerge are of particular interest. We consider the recently introduced [Volkov and Efetov, Phys. Rev. B 93, 085131 (2016), 10.1103/PhysRevB.93.085131] spin-fermion model with overlapping `hot spots' on the Fermi surface. Focusing on the particle-hole instabilities we obtain a rich phase diagram with the chemical potential relative to the dispersion at (0 ,π );(π ,0 ) and the Fermi surface curvature in the antinodal regions being the control parameters. We find evidence for d-wave Pomeranchuk instability, d-form factor charge density waves, as well as commensurate and incommensurate staggered bond current phases similar to the d-density wave state. The current orders are found to be promoted by the curvature. Considering the appropriate parameter range for the hole-doped cuprates, we discuss the relation of our results to the pseudogap state and incommensurate magnetic phases of the cuprates.

  13. Evolution of charged species in propane/air flames: mass-spectrometric analysis and modelling

    International Nuclear Information System (INIS)

    Rodrigues, J M; Agneray, A; Jaffrezic, X; Bellenoue, M; Labuda, S; Leys, C; Chernukho, A P; Migoun, A N; Cenian, A; Savel'ev, A M; Titova, N S; Starik, A M

    2007-01-01

    Experimental and modelling studies of ion formation during combustion of propane/air mixtures are presented. The positive and negative ions mass/charge spectra in propane/air stoichiometric flame at atmospheric pressure are recorded in the range from 0 to 512 atomic mass units. The C 2 H 3 O + and HCO 2 - ions are found to be the most abundant ionic species in the flame front region. By increasing the distance from the flame front the ion composition changes significantly. In the burnt gas region the H 3 O + , NO + , CO 3 - , HCO 3 - ions are found to be the major charged species. To explain the experimental results the extended kinetic model describing the ion formation in flame and in the extraction system of the mass-spectrometer as well as ion-soot interaction is developed. It is shown that the ionic clusters, which are observed experimentally, form during the adiabatic expansion in the extraction system, and the presence of soot particles may change the total positive and negative ion concentrations in the gas phase

  14. The Weak Charge of the Proton. A Search For Physics Beyond the Standard Model

    Energy Technology Data Exchange (ETDEWEB)

    MacEwan, Scott J. [Univ. of Manitoba, Winnipeg, MB (Canada)

    2015-05-01

    The Qweak experiment, which completed running in May of 2012 at Jefferson Laboratory, has measured the parity-violating asymmetry in elastic electron-proton scattering at four-momentum transfer Q2 =0.025 (GeV/c)2 in order to provide the first direct measurement of the proton's weak charge, QWp. The Standard Model makes firm predictions for the weak charge; deviations from the predicted value would provide strong evidence of new physics beyond the Standard Model. Using an 89% polarized electron beam at 145 microA scattering from a 34.4 cm long liquid hydrogen target, scattered electrons were detected using an array of eight fused-silica detectors placed symmetric about the beam axis. The parity-violating asymmetry was then measured by reversing the helicity of the incoming electrons and measuring the normalized difference in rate seen in the detectors. The low Q2 enables a theoretically clean measurement; the higher-order hadronic corrections are constrained using previous parity-violating electron scattering world data. The experimental method will be discussed, with recent results constituting 4% of our total data and projections of our proposed uncertainties on the full data set.

  15. VR-SCOSMO: A smooth conductor-like screening model with charge-dependent radii for modeling chemical reactions.

    Science.gov (United States)

    Kuechler, Erich R; Giese, Timothy J; York, Darrin M

    2016-04-28

    To better represent the solvation effects observed along reaction pathways, and of ionic species in general, a charge-dependent variable-radii smooth conductor-like screening model (VR-SCOSMO) is developed. This model is implemented and parameterized with a third order density-functional tight binding quantum model, DFTB3/3OB-OPhyd, a quantum method which was developed for organic and biological compounds, utilizing a specific parameterization for phosphate hydrolysis reactions. Unlike most other applications with the DFTB3/3OB model, an auxiliary set of atomic multipoles is constructed from the underlying DFTB3 density matrix which is used to interact the solute with the solvent response surface. The resulting method is variational, produces smooth energies, and has analytic gradients. As a baseline, a conventional SCOSMO model with fixed radii is also parameterized. The SCOSMO and VR-SCOSMO models shown have comparable accuracy in reproducing neutral-molecule absolute solvation free energies; however, the VR-SCOSMO model is shown to reduce the mean unsigned errors (MUEs) of ionic compounds by half (about 2-3 kcal/mol). The VR-SCOSMO model presents similar accuracy as a charge-dependent Poisson-Boltzmann model introduced by Hou et al. [J. Chem. Theory Comput. 6, 2303 (2010)]. VR-SCOSMO is then used to examine the hydrolysis of trimethylphosphate and seven other phosphoryl transesterification reactions with different leaving groups. Two-dimensional energy landscapes are constructed for these reactions and calculated barriers are compared to those obtained from ab initio polarizable continuum calculations and experiment. Results of the VR-SCOSMO model are in good agreement in both cases, capturing the rate-limiting reaction barrier and the nature of the transition state.

  16. Localized Models of Charged Particle Motion in Martian Crustal Magnetic Cusps

    Science.gov (United States)

    Brain, D. A.; Poppe, A. R.; Jarvinen, R.; Dong, Y.; Egan, H. L.; Fang, X.

    2017-12-01

    The induced magnetosphere of Mars is punctuated by localized but strong crustal magnetic fields that are observed to play host to a variety of phenomena typically associated with global magnetic fields, such as auroral processes and particle precipitation, field-aligned current systems, and ion outflow. Each of these phenomena occur on the night side, in small-scale magnetic `cusp' regions of vertically aligned field. Cusp regions are not yet capable of being spatially resolved in global scale models that include the ion kinetics necessary for simulating charged particle transport along cusps. Local models are therefore necessary if we are to understand how cusp processes operate at Mars. Here we present the first results of an effort to model the kinetic particle motion and electric fields in Martian cusps. We are adapting both a 1.5D Particle-in-Cell (PIC) model for lunar magnetic cusps regions to the Martian case and a hybrid model framework (used previously for the global Martian plasma interaction and for lunar magnetic anomaly regions) to cusps in 2D. By comparing the models we can asses the importance of electron kinetics in particle transport along cusp field lines. In this first stage of our study we model a moderately strong nightside cusp, with incident hot hydrogen plasma from above, and cold planetary (oxygen) plasma entering the simulation from below. We report on the spatial and temporal distribution of plasma along cusp field lines for this initial case.

  17. Modeling of monolayer charge-stabilized colloidal crystals with static hexagonal crystal lattice

    Science.gov (United States)

    Nagatkin, A. N.; Dyshlovenko, P. E.

    2018-01-01

    The mathematical model of monolayer colloidal crystals of charged hard spheres in liquid electrolyte is proposed. The particles in the monolayer are arranged into the two-dimensional hexagonal crystal lattice. The model enables finding elastic constants of the crystals from the stress-strain dependencies. The model is based on the nonlinear Poisson-Boltzmann differential equation. The Poisson-Boltzmann equation is solved numerically by the finite element method for any spatial configuration. The model has five geometrical and electrical parameters. The model is used to study the crystal with particles comparable in size with the Debye length of the electrolyte. The first- and second-order elastic constants are found for a broad range of densities. The model crystal turns out to be stable relative to small uniform stretching and shearing. It is also demonstrated that the Cauchy relation is not fulfilled in the crystal. This means that the pair effective interaction of any kind is not sufficient to proper model the elasticity of colloids within the one-component approach.

  18. 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.

  19. Negative differential mobility for negative carriers as revealed by space charge measurements on crosslinked polyethylene insulated model cables

    Energy Technology Data Exchange (ETDEWEB)

    Teyssedre, G., E-mail: gilbert.teyssedre@laplace.univ-tlse.fr; Laurent, C. [Université de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d' Energie), 118 route de Narbonne, F-31062 Toulouse cedex 9 (France); CNRS, LAPLACE, F-31062 Toulouse (France); Vu, T. T. N. [Université de Toulouse, UPS, INPT, LAPLACE (Laboratoire Plasma et Conversion d' Energie), 118 route de Narbonne, F-31062 Toulouse cedex 9 (France); Electric Power University, 235 Hoang Quoc Viet, 10000 Hanoi (Viet Nam)

    2015-12-21

    Among features observed in polyethylene materials under relatively high field, space charge packets, consisting in a pulse of net charge that remains in the form of a pulse as it crosses the insulation, are repeatedly observed but without complete theory explaining their formation and propagation. Positive charge packets are more often reported, and the models based on negative differential mobility(NDM) for the transport of holes could account for some charge packets phenomenology. Conversely, NDM for electrons transport has never been reported so far. The present contribution reports space charge measurements by pulsed electroacoustic method on miniature cables that are model of HVDC cables. The measurements were realized at room temperature or with a temperature gradient of 10 °C through the insulation under DC fields on the order 30–60 kV/mm. Space charge results reveal systematic occurrence of a negative front of charges generated at the inner electrode that moves toward the outer electrode at the beginning of the polarization step. It is observed that the transit time of the front of negative charge increases, and therefore the mobility decreases, with the applied voltage. Further, the estimated mobility, in the range 10{sup −14}–10{sup −13} m{sup 2} V{sup −1} s{sup −1} for the present results, increases when the temperature increases for the same condition of applied voltage. The features substantiate the hypothesis of negative differential mobility used for modelling space charge packets.

  20. The thermoballistic transport model a novel approach to charge carrier transport in semiconductors

    CERN Document Server

    Lipperheide, Reinhard

    2014-01-01

    The book presents a comprehensive survey of the thermoballistic approach to charge carrier transport in semiconductors. This semi-classical approach, which the authors have developed over the past decade, bridges the gap between the opposing drift-diffusion and ballistic  models of carrier transport. While incorporating basic features of the latter two models, the physical concept underlying the thermoballistic approach constitutes a novel, unifying scheme. It is based on the introduction of "ballistic configurations" arising from a random partitioning of the length of a semiconducting sample into ballistic transport intervals. Stochastic averaging of the ballistic carrier currents over the ballistic configurations results in a position-dependent thermoballistic current, which is the key element of the thermoballistic concept and forms  the point of departure for the calculation of all relevant transport properties. In the book, the thermoballistic concept and its implementation are developed in great detai...

  1. First Principles Modeling and Interpretation of Ionization-Triggered Charge Migration in Molecules

    Science.gov (United States)

    Bruner, Adam; Hernandez, Sam; Mauger, Francois; Abanador, Paul; Gaarde, Mette; Schafer, Ken; Lopata, Ken

    Modeling attosecond coherent charge migration in molecules is important for understanding initial steps of photochemistry and light harvesting processes. Ionization triggered hole migration can be difficult to characterize and interpret as the dynamics can be convoluted with excited states. Here, we introduce a real-time time-dependent density functional theory (RT-TDDFT) approach for modeling such dynamics from first principles. To isolate the specific hole dynamics from excited states, Fourier transform analysis and orbital occupations are used to provide a spatial hole representation in the frequency domain. These techniques are applied to hole transfer across a thiophene dimer as well as core-hole triggered valence motion in nitrosobenzene. This work was supported by U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award No. DE-SC0012462.

  2. MODELLING OF CHARGE CARRIER MOBILITY FOR TRANSPORT BETWEEN ELASTIC POLYACETYLENE-LIKE POLYMER NANORODS

    Directory of Open Access Journals (Sweden)

    M. Mensik

    2017-03-01

    Full Text Available A quantum model solving the charge carrier mobility between polyacetylene-like polymer nanorods is presented. The model assumes: a Quantum mechanical calculation of hole on-chain delocalization involving electron-phonon coupling leading to the Peierls instability, b Hybridization coupling between the polymer backbone and side-groups (or environmental states, which act as hole traps, and c Semiclassical description of the inter-chain hole transfer in an applied voltage based on Marcus theory. We have found that mobility resonantly depends on the hybridization coupling between polymer and linked groups. We observed also non-trivial mobility dependences on the difference of energies of the highest occupied molecular orbitals localized on the polymer backbone and side-groups, respectively, and hole concentration. Those findings are important for optimization of hybrid opto-electronic devices.

  3. Model of Organic Solar Cell Photocurrent Including the Effect of Charge Accumulation at Interfaces and Non-Uniform Carrier Generation

    DEFF Research Database (Denmark)

    Torto, Lorenzo; Cester, Andrea; Rizzo, Antonio

    2017-01-01

    We developed an improved model to fit the photocurrent density versus voltage in organic solar cells. The model has been validated by fitting data from P3HT:PCBM solar cells. Our model quantitatively accounts for the band bending near the electrodes caused by charge accumulation in the active layer...

  4. A Mathematical model to predict the US Airlines operation costs and airports charges per route per passenger

    NARCIS (Netherlands)

    Carmona Benitez, R.B.; Lodewijiks, G.

    2010-01-01

    A mathematical model to estimate the average airlines operational costs and airports charges per route is important for airlines companies trying to open new routes and for data generation for other purpose such as transport modeling, simulation modeling, investment analyses for airlines and

  5. Electron beam charging of insulators: A self-consistent flight-drift model

    International Nuclear Information System (INIS)

    Touzin, M.; Goeuriot, D.; Guerret-Piecourt, C.; Juve, D.; Treheux, D.; Fitting, H.-J.

    2006-01-01

    Electron beam irradiation and the self-consistent charge transport in bulk insulating samples are described by means of a new flight-drift model and an iterative computer simulation. Ballistic secondary electron and hole transport is followed by electron and hole drifts, their possible recombination and/or trapping in shallow and deep traps. The trap capture cross sections are the Poole-Frenkel-type temperature and field dependent. As a main result the spatial distributions of currents j(x,t), charges ρ(x,t), the field F(x,t), and the potential slope V(x,t) are obtained in a self-consistent procedure as well as the time-dependent secondary electron emission rate σ(t) and the surface potential V 0 (t). For bulk insulating samples the time-dependent distributions approach the final stationary state with j(x,t)=const=0 and σ=1. Especially for low electron beam energies E 0 G of a vacuum grid in front of the target surface. For high beam energies E 0 =10, 20, and 30 keV high negative surface potentials V 0 =-4, -14, and -24 kV are obtained, respectively. Besides open nonconductive samples also positive ion-covered samples and targets with a conducting and grounded layer (metal or carbon) on the surface have been considered as used in environmental scanning electron microscopy and common SEM in order to prevent charging. Indeed, the potential distributions V(x) are considerably small in magnitude and do not affect the incident electron beam neither by retarding field effects in front of the surface nor within the bulk insulating sample. Thus the spatial scattering and excitation distributions are almost not affected

  6. Influence of electron-phonon interaction on soliton mediated spin-charge conversion effects in two-component polymer model

    International Nuclear Information System (INIS)

    Sergeenkov, S.; Moraes, F.; Furtado, C.; Araujo-Moreira, F.M.

    2010-01-01

    By mapping a Hubbard-like model describing a two-component polymer in the presence of strong enough electron-phonon interactions (κ) onto the system of two coupled nonlinear Schroedinger equations with U(2) symmetry group, some nontrivial correlations between topological solitons mediated charge Q and spin S degrees of freedom are obtained. Namely, in addition to a charge fractionalization and reentrant like behavior of both Q(κ) and S(κ), the model also predicts a decrease of soliton velocity with κ as well as spin-charge conversion effects which manifest themselves through an explicit S(Q,Ω) dependence (with Ω being a mixing angle between spin-up and spin-down electron amplitudes). A possibility to observe the predicted effects in low-dimensional systems with charge and spin soliton carriers is discussed.

  7. Toward quantitative prediction of charge mobility in organic semiconductors: tunneling enabled hopping model.

    Science.gov (United States)

    Geng, Hua; Peng, Qian; Wang, Linjun; Li, Haijiao; Liao, Yi; Ma, Zhiying; Shuai, Zhigang

    2012-07-10

    A tunneling-enabled hopping mechanism is proposed, providing a pratical tool to quantitatively assess charge mobility in organic semiconductors. The paradoxical phenomena in TIPS-pentacene is well explained in that the optical probe indicates localized charges while transport measurements show bands of charge. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Alternative model of space-charge-limited thermionic current flow through a plasma

    Science.gov (United States)

    Campanell, M. D.

    2018-04-01

    It is widely assumed that thermionic current flow through a plasma is limited by a "space-charge-limited" (SCL) cathode sheath that consumes the hot cathode's negative bias and accelerates upstream ions into the cathode. Here, we formulate a fundamentally different current-limited mode. In the "inverse" mode, the potentials of both electrodes are above the plasma potential, so that the plasma ions are confined. The bias is consumed by the anode sheath. There is no potential gradient in the neutral plasma region from resistivity or presheath. The inverse cathode sheath pulls some thermoelectrons back to the cathode, thereby limiting the circuit current. Thermoelectrons entering the zero-field plasma region that undergo collisions may also be sent back to the cathode, further attenuating the circuit current. In planar geometry, the plasma density is shown to vary linearly across the electrode gap. A continuum kinetic planar plasma diode simulation model is set up to compare the properties of current modes with classical, conventional SCL, and inverse cathode sheaths. SCL modes can exist only if charge-exchange collisions are turned off in the potential well of the virtual cathode to prevent ion trapping. With the collisions, the current-limited equilibrium must be inverse. Inverse operating modes should therefore be present or possible in many plasma devices that rely on hot cathodes. Evidence from past experiments is discussed. The inverse mode may offer opportunities to minimize sputtering and power consumption that were not previously explored due to the common assumption of SCL sheaths.

  9. Experimental and modeling study on charge storage/transfer mechanism of graphene-based supercapacitors

    Science.gov (United States)

    Ban, Shuai; Jing, Xie; Zhou, Hongjun; Zhang, Lei; Zhang, Jiujun

    2014-12-01

    A symmetrical graphene-based supercapacitor is constructed for studying the charge-transfer mechanism within the graphene-based electrodes using both experiment measurements and molecular simulation. The in-house synthesized graphene is characterized by XRD, SEM and BET measurements for morphology and surface area. It is observed that the electric capacity of graphene electrode can be reduced by both high internal resistance and limited mass transfer. Computer modeling is conducted at the molecular level to characterize the diffusion behavior of electrolyte ions to the interior of electrode with emphasis on the unique 2D confinement imposed by graphene layers. Although graphene powder poses a moderate internal surface of 400 m2 g-1, the capacitance performance of graphene electrode can be as good as that of commercial activated carbon which has an overwhelming surface area of 1700 m2 g-1. An explanation to this abnormal correlation is that graphene material has an intrinsic capability of adaptively reorganizing its microporous structure in response to intercalation of ions and immergence of electrolyte solvent. The accessible surface of graphene is believed to be dramatically enlarged for ion adsorption during the charging process of capacitor.

  10. Charge-spin-orbital dynamics of one-dimensional two-orbital Hubbard model

    Energy Technology Data Exchange (ETDEWEB)

    Onishi, Hiroaki [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan)

    2010-01-15

    We study the real-time evolution of a charge-excited state in a one-dimensional e{sub g}-orbital degenerate Hubbard model, by a time-dependent density-matrix renormalization group method. Considering a chain along the z direction, electrons hop between adjacent 3z{sup 2}-r{sup 2} orbitals, while x{sup 2}-y{sup 2} orbitals are localized. For the charge-excited state, a holon-doublon pair is introduced into the ground state at quarter filling. At initial time, there is no electron in a holon site, while a pair of electrons occupies 3z{sup 2}-r{sup 2} orbital in a doublon site. As the time evolves, the holon motion is governed by the nearest-neighbor hopping, but the electron pair can transfer between 3z{sup 2}-r{sup 2} orbital and x{sup 2}-y{sup 2} orbital through the pair hopping in addition to the nearest-neighbor hopping. Thus holon and doublon propagate at different speed due to the pair hopping that is characteristic of multi-orbital systems.

  11. Charge Equalization Controller Algorithm for Series-Connected Lithium-Ion Battery Storage Systems: Modeling and Applications

    Directory of Open Access Journals (Sweden)

    Mahammad A. Hannan

    2017-09-01

    Full Text Available This study aims to develop an accurate model of a charge equalization controller (CEC that manages individual cell monitoring and equalizing by charging and discharging series-connected lithium-ion (Li-ion battery cells. In this concept, an intelligent control algorithm is developed to activate bidirectional cell switches and control direct current (DC–DC converter switches along with pulse width modulation (PWM generation. Individual models of an electric vehicle (EV-sustainable Li-ion battery, optimal power rating, a bidirectional flyback DC–DC converter, and charging and discharging controllers are integrated to develop a small-scale CEC model that can be implemented for 10 series-connected Li-ion battery cells. Results show that the charge equalization controller operates at 91% efficiency and performs well in equalizing both overdischarged and overcharged cells on time. Moreover, the outputs of the CEC model show that the desired balancing level occurs at 2% of state of charge difference and that all cells are operated within a normal range. The configuration, execution, control, power loss, cost, size, and efficiency of the developed CEC model are compared with those of existing controllers. The proposed model is proven suitable for high-tech storage systems toward the advancement of sustainable EV technologies and renewable source of applications.

  12. Modeling Electric Double-Layer Capacitors Using Charge Variation Methodology in Gibbs Ensemble

    Directory of Open Access Journals (Sweden)

    Ganeshprasad Pavaskar

    2018-01-01

    Full Text Available Supercapacitors deliver higher power than batteries and find applications in grid integration and electric vehicles. Recent work by Chmiola et al. (2006 has revealed unexpected increase in the capacitance of porous carbon electrodes using ionic liquids as electrolytes. The work has generated curiosity among both experimentalists and theoreticians. Here, we have performed molecular simulations using a recently developed technique (Punnathanam, 2014 for simulating supercapacitor system. In this technique, the two electrodes (containing electrolyte in slit pore are simulated in two different boxes using the Gibbs ensemble methodology. This reduces the number of particles required and interfacial interactions, which helps in reducing computational load. The method simulates an electric double-layer capacitor (EDLC with macroscopic electrodes with much smaller system sizes. In addition, the charges on individual electrode atoms are allowed to vary in response to movement of electrolyte ions (i.e., electrode is polarizable while ensuring these atoms are at the same electric potential. We also present the application of our technique on EDLCs with the electrodes modeled as slit pores and as complex three-dimensional pore networks for different electrolyte geometries. The smallest pore geometry showed an increase in capacitance toward the potential of 0 charge. This is in agreement with the new understanding of the electrical double layer in regions of dense ionic packing, as noted by Kornyshev’s theoretical model (Kornyshev, 2007, which also showed a similar trend. This is not addressed by the classical Gouy–Chapman theory for the electric double layer. Furthermore, the electrode polarizability simulated in the model improved the accuracy of the calculated capacitance. However, its addition did not significantly alter the capacitance values in the voltage range considered.

  13. Wall reflection modeling for charge exchange recombination spectroscopy (CXRS) measurements on Textor and ITER

    International Nuclear Information System (INIS)

    Banerjee, Santanu; Vasu, P; Von Hellermann, M; Jaspers, R J E

    2010-01-01

    Contamination of optical signals by reflections from the tokamak vessel wall is a matter of great concern. For machines such as ITER and future reactors, where the vessel wall will be predominantly metallic, this is potentially a risk factor for quantitative optical emission spectroscopy. This is, in particular, the case when bremsstrahlung continuum radiation from the bulk plasma is used as a common reference light source for the cross-calibration of visible spectroscopy. In this paper the reflected contribution to the continuum level in Textor and ITER has been estimated for the detection channels meant for charge exchange recombination spectroscopy (CXRS). A model assuming diffuse reflection has been developed for the bremsstrahlung which is a much extended source. Based on this model, it is shown that in the case of ITER upper port 3, a wall with a moderate reflectivity of 20% leads to the wall reflected fraction being as high as 55-60% of the weak signals in the edge channels. In contrast, a complete bidirectional reflectance distribution function (BRDF) based model has been developed in order to estimate the reflections from more localized sources like the charge exchange (CX) emission from a neutral beam in tokamaks. The largest signal contamination of ∼15% is seen in the core CX channels, where the true CX signal level is much lower than that in the edge channels. Similar values are obtained for Textor also. These results indicate that the contributions from wall reflections may be large enough to significantly distort the overall spectral features of CX data, warranting an analysis at different wavelengths.

  14. Wall reflection modeling for charge exchange recombination spectroscopy (CXRS) measurements on Textor and ITER

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Santanu; Vasu, P [Institute for Plasma Research, Bhat, Gandhinagar 382 428, Gujarat (India); Von Hellermann, M [FOM Institute for Plasma Physics, Rijnhuizen (Netherlands); Jaspers, R J E, E-mail: sbanerje@ipr.res.i [Applied Physics Department, Eindhoven University of Technology, Eindhoven (Netherlands)

    2010-12-15

    Contamination of optical signals by reflections from the tokamak vessel wall is a matter of great concern. For machines such as ITER and future reactors, where the vessel wall will be predominantly metallic, this is potentially a risk factor for quantitative optical emission spectroscopy. This is, in particular, the case when bremsstrahlung continuum radiation from the bulk plasma is used as a common reference light source for the cross-calibration of visible spectroscopy. In this paper the reflected contribution to the continuum level in Textor and ITER has been estimated for the detection channels meant for charge exchange recombination spectroscopy (CXRS). A model assuming diffuse reflection has been developed for the bremsstrahlung which is a much extended source. Based on this model, it is shown that in the case of ITER upper port 3, a wall with a moderate reflectivity of 20% leads to the wall reflected fraction being as high as 55-60% of the weak signals in the edge channels. In contrast, a complete bidirectional reflectance distribution function (BRDF) based model has been developed in order to estimate the reflections from more localized sources like the charge exchange (CX) emission from a neutral beam in tokamaks. The largest signal contamination of {approx}15% is seen in the core CX channels, where the true CX signal level is much lower than that in the edge channels. Similar values are obtained for Textor also. These results indicate that the contributions from wall reflections may be large enough to significantly distort the overall spectral features of CX data, warranting an analysis at different wavelengths.

  15. Alternative business models for establishing fast-charging stations - Part 2; Alternative forretningsmodeller for etablering av hurtigladestasjoner - Del 2

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-11-01

    This section of the report describes and evaluates potential business models for fast-charging stations. Business models are developed on the basis of market development for electric vehicles and electric vehicle usage patterns analyzed in Part 1 of the project. This report describes a series of models in both the early and maturity stage, where we have distinguished between different user segments and payment models. With the estimated trends in the car fleet and charger use, the prerequisites for profitable quick charging in the downtown area are good, while, due to high construction contribution, you must have a relatively high proportion of subscriptions and a high charge rate to obtain adequate finances in the corridor points.(auth)

  16. New battery model considering thermal transport and partial charge stationary effects in photovoltaic off-grid applications

    Science.gov (United States)

    Sanz-Gorrachategui, Iván; Bernal, Carlos; Oyarbide, Estanis; Garayalde, Erik; Aizpuru, Iosu; Canales, Jose María; Bono-Nuez, Antonio

    2018-02-01

    The optimization of the battery pack in an off-grid Photovoltaic application must consider the minimum sizing that assures the availability of the system under the worst environmental conditions. Thus, it is necessary to predict the evolution of the state of charge of the battery under incomplete daily charging and discharging processes and fluctuating temperatures over day-night cycles. Much of previous development work has been carried out in order to model the short term evolution of battery variables. Many works focus on the on-line parameter estimation of available charge, using standard or advanced estimators, but they are not focused on the development of a model with predictive capabilities. Moreover, normally stable environmental conditions and standard charge-discharge patterns are considered. As the actual cycle-patterns differ from the manufacturer's tests, batteries fail to perform as expected. This paper proposes a novel methodology to model these issues, with predictive capabilities to estimate the remaining charge in a battery after several solar cycles. A new non-linear state space model is proposed as a basis, and the methodology to feed and train the model is introduced. The new methodology is validated using experimental data, providing only 5% of error at higher temperatures than the nominal one.

  17. A Physically Based Analytical Model to Describe Effective Excess Charge for Streaming Potential Generation in Water Saturated Porous Media

    Science.gov (United States)

    Guarracino, L.; Jougnot, D.

    2018-01-01

    Among the different contributions generating self-potential, the streaming potential is of particular interest in hydrogeology for its sensitivity to water flow. Estimating water flux in porous media using streaming potential data relies on our capacity to understand, model, and upscale the electrokinetic coupling at the mineral-solution interface. Different approaches have been proposed to predict streaming potential generation in porous media. One of these approaches is the flux averaging which is based on determining the excess charge which is effectively dragged in the medium by water flow. In this study, we develop a physically based analytical model to predict the effective excess charge in saturated porous media using a flux-averaging approach in a bundle of capillary tubes with a fractal pore size distribution. The proposed model allows the determination of the effective excess charge as a function of pore water ionic concentration and hydrogeological parameters like porosity, permeability, and tortuosity. The new model has been successfully tested against different set of experimental data from the literature. One of the main findings of this study is the mechanistic explanation to the empirical dependence between the effective excess charge and the permeability that has been found by several researchers. The proposed model also highlights the link to other lithological properties, and it is able to reproduce the evolution of effective excess charge with electrolyte concentrations.

  18. Axial charges of octet and decuplet baryons in a perturbative chiral quark model

    Science.gov (United States)

    Liu, X. Y.; Samart, D.; Khosonthongkee, K.; Limphirat, A.; Xu, K.; Yan, Y.

    2018-05-01

    Using the perturbative chiral quark model (PCQM), we investigate and predict in this work axial charges gAB of octet and decuplet N , Σ , Ξ , Δ , Σ*, and Ξ* baryons, considering both the ground and excited states in the quark propagator. The PCQM predictions are in good agreement with the experimental data, lattice-QCD values, and other approaches. In addition, the study reveals that the meson cloud is influential in the PCQM, contributing around 30% to the total values of gAB, and the meson cloud contribution to gAB stems mainly from the diagrams with the ground-state quark propagator while the excited intermediate quark states reduce gAB by 10-20%.

  19. The algebra of non-local charges in non-linear sigma models

    International Nuclear Information System (INIS)

    Abdalla, E.; Abdalla, M.C.B.; Brunelli, J.C.; Zadra, A.

    1993-07-01

    We obtain the exact Dirac algebra obeyed by the conserved non-local charges in bosonic non-linear sigma models. Part of the computation is specialized for a symmetry group O(N). As it turns out the algebra corresponds to a cubic deformation of the Kac-Moody algebra. The non-linear terms are computed in closed form. In each Dirac bracket we only find highest order terms (as explained in the paper), defining a saturated algebra. We generalize the results for the presence of a Wess-Zumino term. The algebra is very similar to the previous one, containing now a calculable correction of order one unit lower. (author). 22 refs, 5 figs

  20. Charged lepton flavor violation in a class of radiative neutrino mass generation models

    Science.gov (United States)

    Chowdhury, Talal Ahmed; Nasri, Salah

    2018-04-01

    We investigate the charged lepton flavor violating processes μ →e γ , μ →e e e ¯, and μ -e conversion in nuclei for a class of three-loop radiative neutrino mass generation models with electroweak multiplets of increasing order. We find that, because of certain cancellations among various one-loop diagrams which give the dipole and nondipole contributions in an effective μ e γ vertex and a Z-penguin contribution in an effective μ e Z vertex, the flavor violating processes μ →e γ and μ -e conversion in nuclei become highly suppressed compared to μ →e e e ¯ process. Therefore, the observation of such a pattern in LFV processes may reveal the radiative mechanism behind neutrino mass generation.

  1. A model of knock-out of oxygen by charged particle irradiation of Bi-2212

    International Nuclear Information System (INIS)

    Bandyopadhyay, S.K.; Sen, Pintu; Barat, P.; Mukherjee, P.; Das, S.K.; Ghosh, B.

    1996-01-01

    A model of knock-out of oxygen by charged particle (α and proton) irradiation of Bi 2 Sr 2 CaCu 2 O 8+x (Bi-2212) is proposed on the basis of Monte Carlo TRIM calculations. In Bi-2212, the loosely bound excess oxygen is vulnerable to be displaced by particle irradiation. Binding energy and hence, displacement energy of this loosely bound excess oxygen is less compared to that of stoichiometric lattice bound oxygen and other atoms. The displaced or knocked out oxygen goes to pores or intergranular region and generates large pressure inside the sample. Because of porosity of the material, this displaced oxygen diffuses out and there is a net reduction of oxygen content of the sample. The irradiation induced oxygen knock-out is dominant in the bulk where nonionizing energy loss is maximum. (author). 29 refs., 1 fig., 3 tabs

  2. On the realism of the re-engineered simple point charge water model

    International Nuclear Information System (INIS)

    Chialvo, A.A.

    1996-01-01

    The realism of the recently proposed high-temperature reparameterization of the simple point charge (SPC) water model [C. D. Berweger, W. F. van Gunsteren, and F. Mueller-Plathe, Chem. Phys. Lett. 232, 429 (1995)] is tested by comparing the simulated microstructure and dielectric properties to the available experimental data. The test indicates that the new parameterization fails dramatically to describe the microstructural and dielectric properties of water at high temperature; it predicts rather strong short-range site endash site pair correlations, even stronger than those for water at ambient conditions, and a threefold smaller dielectric constant. Moreover, the resulting microstructure suggests that the high-temperature force-field parameters would predict a twofold higher critical density. The failure of the high-temperature parameterization is analyzed and some suggestions on alternative choices of the target properties for the weak-coupling are discussed. copyright 1996 American Institute of Physics

  3. System dynamic model and charging control of lead-acid battery for stand-alone solar PV system

    KAUST Repository

    Huang, B.J.

    2010-05-01

    The lead-acid battery which is widely used in stand-alone solar system is easily damaged by a poor charging control which causes overcharging. The battery charging control is thus usually designed to stop charging after the overcharge point. This will reduce the storage energy capacity and reduce the service time in electricity supply. The design of charging control system however requires a good understanding of the system dynamic behaviour of the battery first. In the present study, a first-order system dynamics model of lead-acid battery at different operating points near the overcharge voltage was derived experimentally, from which a charging control system based on PI algorithm was developed using PWM charging technique. The feedback control system for battery charging after the overcharge point (14 V) was designed to compromise between the set-point response and the disturbance rejection. The experimental results show that the control system can suppress the battery voltage overshoot within 0.1 V when the solar irradiation is suddenly changed from 337 to 843 W/m2. A long-term outdoor test for a solar LED lighting system shows that the battery voltage never exceeded 14.1 V for the set point 14 V and the control system can prevent the battery from overcharging. The test result also indicates that the control system is able to increase the charged energy by 78%, as compared to the case that the charging stops after the overcharge point (14 V). © 2010 Elsevier Ltd. All rights reserved.

  4. 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

  5. A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

    International Nuclear Information System (INIS)

    Bauer, Thilo; Jäger, Christof M.; Jordan, Meredith J. T.; Clark, Timothy

    2015-01-01

    We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic field-effect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves

  6. A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Thilo; Jäger, Christof M. [Department of Chemistry and Pharmacy, Computer-Chemistry-Center and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen (Germany); Jordan, Meredith J. T. [School of Chemistry, University of Sydney, Sydney, NSW 2006 (Australia); Clark, Timothy, E-mail: tim.clark@fau.de [Department of Chemistry and Pharmacy, Computer-Chemistry-Center and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen (Germany); Centre for Molecular Design, University of Portsmouth, Portsmouth PO1 2DY (United Kingdom)

    2015-07-28

    We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic field-effect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves.

  7. Influence of spin and charge fluctuations on spectra of the two-dimensional Hubbard model

    Science.gov (United States)

    Sherman, A.

    2018-05-01

    The influence of spin and charge fluctuations on spectra of the two-dimensional fermionic Hubbard model is considered using the strong coupling diagram technique. Infinite sequences of diagrams containing ladder inserts, which describe the interaction of electrons with these fluctuations, are summed, and obtained equations are self-consistently solved for the ranges of Hubbard repulsions , temperatures and electron concentrations with t the intersite hopping constant. For all considered U the system exhibits a transition to the long-range antiferromagnetic order at . At the same time no indication of charge ordering is observed. Obtained solutions agree satisfactorily with results of other approaches and obey moments sum rules. In the considered region of the U-T plane, the curve separating metallic solutions passes from at the highest temperatures to U  =  2t at for half-filling. If only short-range fluctuations are allowed for the remaining part of this region is occupied by insulating solutions. Taking into account long-range fluctuations leads to strengthening of maxima tails, which transform a part of insulating solutions into bad-metal states. For low T, obtained results allow us to trace the gradual transition from the regime of strong correlations with the pronounced four-band structure and well-defined Mott gap for to the Slater regime of weak correlations with the spectral intensity having a dip along the boundary of the magnetic Brillouin zone due to an antiferromagnetic ordering for . For and doping leads to the occurrence of a pseudogap near the Fermi level, which is a consequence of the splitting out of a narrow band from a Hubbard subband. Obtained spectra feature waterfalls and Fermi arcs, which are similar to those observed in hole-doped cuprates.

  8. Development of the balance equations model for calculation of ion charge-state distribution in ECR ion sources

    International Nuclear Information System (INIS)

    Filippov, A.V.; Shirkov, G.D.; Consoli, F.; Gammino, S.; Ciavola, G.; Celona, L.; Barbarino, S.

    2008-01-01

    The investigation of the widespread model for the calculation of ion charge-state distributions (CSD) in electron cyclotron-resonance ion source based on the set of balance equations is given. The modification of this model that allows one to describe the confinement and accumulation processes of highly charged ions in ECR plasma for gas mixing case more precisely is discussed. The new approach for the time confinement calculation (ions and electrons) based on the theory of Pastukhov is offered, viz. - calculation of confinement times during two step minimization of special type functionals. The results obtained by this approach have been compared with available experimental data

  9. Otitis Media in a New Mouse Model for CHARGE Syndrome with a Deletion in the Chd7 Gene

    Science.gov (United States)

    Tian, Cong; Yu, Heping; Yang, Bin; Han, Fengchan; Zheng, Ye; Bartels, Cynthia F.; Schelling, Deborah; Arnold, James E.; Scacheri, Peter C.; Zheng, Qing Yin

    2012-01-01

    Otitis media is a middle ear disease common in children under three years old. Otitis media can occur in normal individuals with no other symptoms or syndromes, but it is often seen in individuals clinically diagnosed with genetic diseases such as CHARGE syndrome, a complex genetic disease caused by mutation in the Chd7 gene and characterized by multiple birth defects. Although otitis media is common in human CHARGE syndrome patients, it has not been reported in mouse models of CHARGE syndrome. In this study, we report a mouse model with a spontaneous deletion mutation in the Chd7 gene and with chronic otitis media of early onset age accompanied by hearing loss. These mice also exhibit morphological alteration in the Eustachian tubes, dysregulation of epithelial proliferation, and decreased density of middle ear cilia. Gene expression profiling revealed up-regulation of Muc5ac, Muc5b and Tgf-β1 transcripts, the products of which are involved in mucin production and TGF pathway regulation. This is the first mouse model of CHARGE syndrome reported to show otitis media with effusion and it will be valuable for studying the etiology of otitis media and other symptoms in CHARGE syndrome. PMID:22539951

  10. Modeling neutrino-induced charged pion production on water at T2K kinematics

    Science.gov (United States)

    Nikolakopoulos, A.; González-Jiménez, R.; Niewczas, K.; Sobczyk, J.; Jachowicz, N.

    2018-05-01

    Pion production is a significant component of the signal in accelerator-based neutrino experiments. Over the last years, the MiniBooNE, T2K, and MINERvA collaborations have reported a substantial amount of data on (anti)neutrino-induced pion production on the nucleus. However, a comprehensive and consistent description of the whole data set is still missing. We aim at improving the current understanding of neutrino-induced pion production on the nucleus. To this end, the comparison of experimental data with theoretical predictions, preferably based on microscopic models, is essential to disentangle the different reaction mechanisms involved in the process. To describe single-pion production, we use a hybrid model that combines low- and a high-energy approaches. The low-energy model contains resonances and background terms. At high invariant masses, a high-energy model based on a Regge approach is employed. The model is implemented in the nucleus using the relativistic plane wave impulse approximation (RPWIA). We present a comparison of the hybrid-RPWIA and low-energy model with the recent neutrino-induced charged-current 1 π+ -production cross section on water reported by T2K. In order to judge the impact of final-state interactions (FSI), we confront our results with those of the nuwro Monte Carlo generator. The hybrid-RPWIA model and nuwro results compare favorably to the data, albeit that FSI are not included in the former. The need of a high-energy model at T2K kinematics is made clear. These results complement our previous work [Phys. Rev. D 97, 013004 (2018), 10.1103/PhysRevD.97.013004], in which we compared the models to the MINERvA and MiniBooNE 1 π+ data. The hybrid-RPWIA model tends to overpredict both the T2K and MINERvA data in kinematic regions where the largest suppression due to FSI is expected and agrees remarkably well with the data in other kinematic regions. On the contrary, the MiniBooNE data are underpredicted over the whole kinematic range.

  11. WE-H-BRA-07: Mechanistic Modelling of the Relative Biological Effectiveness of Heavy Charged Particles

    Energy Technology Data Exchange (ETDEWEB)

    McMahon, S [Massachusetts General Hospital, Boston, MA (United States); Queen’s University, Belfast, Belfast (United Kingdom); McNamara, A; Schuemann, J; Paganetti, H [Massachusetts General Hospital, Boston, MA (United States); Prise, K [Queen’s University, Belfast, Belfast (United Kingdom)

    2016-06-15

    Purpose Uncertainty in the Relative Biological Effectiveness (RBE) of heavy charged particles compared to photons remains one of the major uncertainties in particle therapy. As RBEs depend strongly on clinical variables such as tissue type, dose, and radiation quality, more accurate individualised models are needed to fully optimise treatments. MethodsWe have developed a model of DNA damage and repair following X-ray irradiation in a number of settings, incorporating mechanistic descriptions of DNA repair pathways, geometric effects on DNA repair, cell cycle effects and cell death. Our model has previously been shown to accurately predict a range of biological endpoints including chromosome aberrations, mutations, and cell death. This model was combined with nanodosimetric models of individual ion tracks to calculate the additional probability of lethal damage forming within a single track. These lethal damage probabilities can be used to predict survival and RBE for cells irradiated with ions of different Linear Energy Transfer (LET). ResultsBy combining the X-ray response model with nanodosimetry information, predictions of RBE can be made without cell-line specific fitting. The model’s RBE predictions were found to agree well with empirical proton RBE models (Mean absolute difference between models of 1.9% and 1.8% for cells with α/β ratios of 9 and 1.4, respectively, for LETs between 0 and 15 keV/µm). The model also accurately recovers the impact of high-LET carbon ion exposures, showing both the reduced efficacy of ions at extremely high LET, as well as the impact of defects in non-homologous end joining on RBE values in Chinese Hamster Ovary cells.ConclusionOur model is predicts RBE without the inclusion of empirical LET fitting parameters for a range of experimental conditions. This approach has the potential to deliver improved personalisation of particle therapy, with future developments allowing for the calculation of individualised RBEs. SJM is

  12. SOLAR WIND CHARGE EXCHANGE EMISSION FROM THE HELIUM FOCUSING CONE: MODEL TO DATA COMPARISON

    International Nuclear Information System (INIS)

    Koutroumpa, D.; Snowden, S. L.; Collier, M. R.; Kuntz, K. D.; Lallement, R.

    2009-01-01

    A model for heliospheric solar wind charge exchange (SWCX) X-ray emission is applied to a series of XMM-Newton observations of the interplanetary focusing cone of interstellar helium. The X-ray data are from three coupled observations of the South Ecliptic Pole (SEP; to observe the cone) and the Hubble Deep Field-North (HDF-N, to monitor global variations of the SWCX emission due to variations in the solar wind (SW)) from the period 2003 November 24 to December 15. There is good qualitative agreement between the model predictions and the data, after the SEP data are corrected using the HDF-N data, with the maximum SWCX flux observed at an ecliptic longitude of ∼72 deg., consistent with the central longitude of the He cone. We observe a total excess of 2.1 ± 1.3 line unit (LU) in the O VII line and 2.0 ± 0.9 LU in the O VIII line. However, the SWCX emission model, which was adjusted for SW conditions appropriate for late 2003, predicts an excess from the He cone of only 0.5 LU and 0.2 LU, respectively, in the O VII and O VIII lines. We discuss the model to data comparison and provide possible explanations for the discrepancies. We also qualitatively re-examine our SWCX model predictions in the 1/4 keV band with data from the ROSAT All-Sky Survey toward the North Ecliptic Pole and SEP, when the He cone was probably first detected in soft X-rays.

  13. Simplified dark matter models with charged mediators: prospects for direct detection

    Energy Technology Data Exchange (ETDEWEB)

    Sandick, Pearl; Sinha, Kuver; Teng, Fei [Department of Physics and Astronomy, University of Utah,Salt Lake City, UT 84112 (United States)

    2016-10-05

    We consider direct detection prospects for a class of simplified models of fermionic dark matter (DM) coupled to left and right-handed Standard Model fermions via two charged scalar mediators with arbitrary mixing angle α. DM interactions with the nucleus are mediated by higher electromagnetic moments, which, for Majorana DM, is the anapole moment. After giving a full analytic calculation of the anapole moment, including its α dependence, and matching with limits in the literature, we compute the DM-nucleon scattering cross-section and show the LUX and future LZ constraints on the parameter space of these models. We then compare these results with constraints coming from Fermi-LAT continuum and line searches. Results in the supersymmetric limit of these simplified models are provided in all cases. We find that future direct detection experiments will be able to probe most of the parameter space of these models for O(100−200) GeV DM and lightest mediator mass ≲O(5%) larger than the DM mass. The direct detection prospects dwindle for larger DM mass and larger mass gap between the DM and the lightest mediator mass, although appreciable regions are still probed for O(200) GeV DM and lightest mediator mass ≲O(20%) larger than the DM mass. The direct detection bounds are also attenuated near certain “blind spots' in the parameter space, where the anapole moment is severely suppressed due to cancellation of different terms. We carefully study these blind spots and the associated Fermi-LAT signals in these regions.

  14. Capacity Calculation of Shunt Active Power Filters for Electric Vehicle Charging Stations Based on Harmonic Parameter Estimation and Analytical Modeling

    Directory of Open Access Journals (Sweden)

    Niancheng Zhou

    2014-08-01

    Full Text Available The influence of electric vehicle charging stations on power grid harmonics is becoming increasingly significant as their presence continues to grow. This paper studies the operational principles of the charging current in the continuous and discontinuous modes for a three-phase uncontrolled rectification charger with a passive power factor correction link, which is affected by the charging power. A parameter estimation method is proposed for the equivalent circuit of the charger by using the measured characteristic AC (Alternating Current voltage and current data combined with the charging circuit constraints in the conduction process, and this method is verified using an experimental platform. The sensitivity of the current harmonics to the changes in the parameters is analyzed. An analytical harmonic model of the charging station is created by separating the chargers into groups by type. Then, the harmonic current amplification caused by the shunt active power filter is researched, and the analytical formula for the overload factor is derived to further correct the capacity of the shunt active power filter. Finally, this method is validated through a field test of a charging station.

  15. Charge reversal and surface charge amplification in asymmetric valence restricted primitive model planar electric double layers in the modified Poisson-Boltzmann theory

    Directory of Open Access Journals (Sweden)

    L.B. Bhuiyan

    2017-12-01

    Full Text Available The modified Poisson-Boltzmann theory of the restricted primitive model double layer is revisited and recast in a fresh, slightly broader perspective. Derivation of relevant equations follow the techniques utilized in the earlier MPB4 and MPB5 formulations and clarifies the relationship between these. The MPB4, MPB5, and a new formulation of the theory are employed in an analysis of the structure and charge reversal phenomenon in asymmetric 2:1/1:2 valence electrolytes. Furthermore, polarization induced surface charge amplification is studied in 3:1/1:3 systems. The results are compared to the corresponding Monte Carlo simulations. The theories are seen to predict the "exact" simulation data to varying degrees of accuracy ranging from qualitative to almost quantitative. The results from a new version of the theory are found to be of comparable accuracy as the MPB5 results in many situations. However, in some cases involving low electrolyte concentrations, theoretical artifacts in the form of un-physical "shoulders" in the singlet ionic distribution functions are observed.

  16. One-dimensional Brownian motion of charged nanoparticles along microtubules: a model system for weak binding interactions.

    Science.gov (United States)

    Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko

    2010-04-21

    Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs and displayed one-dimensional Brownian motion in a charge-dependent manner, which indicates that nonspecific electrostatic interaction is sufficient for one-dimensional Brownian motion. The diffusion coefficient decreased exponentially with an increasing particle charge (with the exponent being 0.10 kBT per charge), whereas the duration of the interaction increased exponentially (exponent of 0.22 kBT per charge). These results can be explained semiquantitatively if one assumes that a particle repeats a cycle of binding to and movement along an MT until it finally dissociates from the MT. During the movement, a particle is still electrostatically constrained in the potential valley surrounding the MT. This entire process can be described by a three-state model analogous to the Michaelis-Menten scheme, in which the two parameters of the equilibrium constant between binding and movement, and the rate of dissociation from the MT, are derived as a function of the particle charge density. This study highlights the possibility that the weak binding interactions between proteins and rodlike polymers, e.g., MTs, are mediated by a similar, nonspecific charge-dependent mechanism. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  17. Photoinduced charge-order melting dynamics in a one-dimensional interacting Holstein model

    Science.gov (United States)

    Hashimoto, Hiroshi; Ishihara, Sumio

    2017-07-01

    Transient quantum dynamics in an interacting fermion-phonon system are investigated with a focus on a charge order (CO) melting after a short optical-pulse irradiation and the roles of the quantum phonons in the transient dynamics. A spinless-fermion model in a one-dimensional chain coupled with local phonons is analyzed numerically. The infinite time-evolving block decimation algorithm is adopted as a reliable numerical method for one-dimensional quantum many-body systems. Numerical results for the photoinduced CO melting dynamics without phonons are well interpreted by the soliton picture for the CO domains. This interpretation is confirmed by numerical simulation of an artificial local excitation and the classical soliton model. In the case of large phonon frequencies corresponding to the antiadiabatic condition, CO melting is induced by propagations of the polaronic solitons with the renormalized soliton velocity. On the other hand, in the case of small phonon frequencies corresponding to the adiabatic condition, the first stage of the CO melting dynamics occurs due to the energy transfer from the fermionic to phononic systems, and the second stage is brought about by the soliton motions around the bottom of the soliton band. The analyses provide a standard reference for photoinduced CO melting dynamics in one-dimensional many-body quantum systems.

  18. State of Charge Estimation for Lithium-Ion Battery with a Temperature-Compensated Model

    Directory of Open Access Journals (Sweden)

    Shichun Yang

    2017-10-01

    Full Text Available Accurate estimation of the state of charge (SOC of batteries is crucial in a battery management system. Many studies on battery SOC estimation have been investigated recently. Temperature is an important factor that affects the SOC estimation accuracy while it is still not adequately addressed at present. This paper proposes a SOC estimator based on a new temperature-compensated model with extended Kalman Filter (EKF. The open circuit voltage (OCV, capacity, and resistance and capacitance (RC parameters in the estimator are temperature dependent so that the estimator can maintain high accuracy at various temperatures. The estimation accuracy decreases when applied in high current continuous discharge, because the equivalent polarization resistance decreases as the discharge current increases. Therefore, a polarization resistance correction coefficient is proposed to tackle this problem. The estimator also demonstrates a good performance in dynamic operating conditions. However, the equivalent circuit model shows huge uncertainty in the low SOC region, so measurement noise variation is proposed to improve the estimation accuracy there.

  19. A relativistic self-consistent model for studying enhancement of space charge limited emission due to counter-streaming ions

    Science.gov (United States)

    Lin, M. C.; Verboncoeur, J.

    2016-10-01

    A maximum electron current transmitted through a planar diode gap is limited by space charge of electrons dwelling across the gap region, the so called space charge limited (SCL) emission. By introducing a counter-streaming ion flow to neutralize the electron charge density, the SCL emission can be dramatically raised, so electron current transmission gets enhanced. In this work, we have developed a relativistic self-consistent model for studying the enhancement of maximum transmission by a counter-streaming ion current. The maximum enhancement is found when the ion effect is saturated, as shown analytically. The solutions in non-relativistic, intermediate, and ultra-relativistic regimes are obtained and verified with 1-D particle-in-cell simulations. This self-consistent model is general and can also serve as a comparison for verification of simulation codes, as well as extension to higher dimensions.

  20. Searching for the doubly charged scalars in the Georgi-Machacek model via γγ collisions at the ILC

    Science.gov (United States)

    Cao, Jun; Li, Yu-Qi; Liu, Yao-Bei

    2018-04-01

    The Georgi-Machacek (GM) model predicts the existence of the doubly-charged scalars H5±±, which can be seen the typical particles in this model and their diboson decay channels are one of the most promising ways to discover such new doubly-charged scalars. Based on the constraints of the latest combined ATLAS and CMS Higgs boson diphoton signal strength data at 2σ confidence level, we focus on the study of the triple scalar production in γγ collisions at the future International Linear collider (ILC): γγ → hH5++H 5‑‑, where the production cross-sections are very sensitive to the triple scalar coupling parameter ghHH. Considering the typical same-sign diboson decay modes for the doubly-charged scalars, the possible final signals might be detected via this process at the future ILC experiments.

  1. A physically-based analytical model to describe effective excess charge for streaming potential generation in saturated porous media

    Science.gov (United States)

    Jougnot, D.; Guarracino, L.

    2016-12-01

    The self-potential (SP) method is considered by most researchers the only geophysical method that is directly sensitive to groundwater flow. One source of SP signals, the so-called streaming potential, results from the presence of an electrical double layer at the mineral-pore water interface. When water flows through the pore space, it gives rise to a streaming current and a resulting measurable electrical voltage. Different approaches have been proposed to predict streaming potentials in porous media. One approach is based on the excess charge which is effectively dragged in the medium by the water flow. Following a recent theoretical framework, we developed a physically-based analytical model to predict the effective excess charge in saturated porous media. In this study, the porous media is described by a bundle of capillary tubes with a fractal pore-size distribution. First, an analytical relationship is derived to determine the effective excess charge for a single capillary tube as a function of the pore water salinity. Then, this relationship is used to obtain both exact and approximated expressions for the effective excess charge at the Representative Elementary Volume (REV) scale. The resulting analytical relationship allows the determination of the effective excess charge as a function of pore water salinity, fractal dimension and hydraulic parameters like porosity and permeability, which are also obtained at the REV scale. This new model has been successfully tested against data from the literature of different sources. One of the main finding of this study is that it provides a mechanistic explanation to the empirical dependence between the effective excess charge and the permeability that has been found by various researchers. The proposed petrophysical relationship also contributes to understand the role of porosity and water salinity on effective excess charge and will help to push further the use of streaming potential to monitor groundwater flow.

  2. Rapid Estimation Method for State of Charge of Lithium-Ion Battery Based on Fractional Continual Variable Order Model

    Directory of Open Access Journals (Sweden)

    Xin Lu

    2018-03-01

    Full Text Available In recent years, the fractional order model has been employed to state of charge (SOC estimation. The non integer differentiation order being expressed as a function of recursive factors defining the fractality of charge distribution on porous electrodes. The battery SOC affects the fractal dimension of charge distribution, therefore the order of the fractional order model varies with the SOC at the same condition. This paper proposes a new method to estimate the SOC. A fractional continuous variable order model is used to characterize the fractal morphology of charge distribution. The order identification results showed that there is a stable monotonic relationship between the fractional order and the SOC after the battery inner electrochemical reaction reaches balanced. This feature makes the proposed model particularly suitable for SOC estimation when the battery is in the resting state. Moreover, a fast iterative method based on the proposed model is introduced for SOC estimation. The experimental results showed that the proposed iterative method can quickly estimate the SOC by several iterations while maintaining high estimation accuracy.

  3. Dynamics of complexation of a charged dendrimer by linear polyelectrolyte: Computer modelling

    NARCIS (Netherlands)

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

    2007-01-01

    Brownian-dynamics simulations have been performed for complexes formed by a charged dendrimer and a long oppositely charged linear polyelectrolyte when overcharging phenomenon is always observed. After a complex formation the orientational mobility of the individual dendrimer bonds, the fluctuations

  4. 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

  5. A model with charges and polarizability for CS2 in an ionic liquid

    Indian Academy of Sciences (India)

    RUTH M LYNDEN-BELL

    the static electrostatic distribution in the CS2 molecule with 7 charged sites and anisotropic polarizability on the carbon site and isotropic .... the charges modified to reproduce the molecular quad- ... face at 1.5 times the van der Waals radii from the nuclei ..... shows the probability distribution of induced dipoles on the C site ...

  6. Continuous agglomerate model for identifying the solute- indifferent part of colloid nanoparticle's surface charge

    International Nuclear Information System (INIS)

    Alfimov, A V; Aryslanova, E M; Chivilikhin, S A

    2016-01-01

    This work proposes an explicit analytical model for the surface potential of a colloidal nano-agglomerate. The model predicts that when an agglomerate reaches a certain critical size, its surface potential becomes independent of the agglomerate radius. The model also provides a method for identifying and quantifying the solute-indifferent charge in nanocolloids, that allows to assess the stability of toxicologically significant parameters of the system. (paper)

  7. Image charge models for accurate construction of the electrostatic self-energy of 3D layered nanostructure devices

    Science.gov (United States)

    Barker, John R.; Martinez, Antonio

    2018-04-01

    Efficient analytical image charge models are derived for the full spatial variation of the electrostatic self-energy of electrons in semiconductor nanostructures that arises from dielectric mismatch using semi-classical analysis. The methodology provides a fast, compact and physically transparent computation for advanced device modeling. The underlying semi-classical model for the self-energy has been established and validated during recent years and depends on a slight modification of the macroscopic static dielectric constants for individual homogeneous dielectric regions. The model has been validated for point charges as close as one interatomic spacing to a sharp interface. A brief introduction to image charge methodology is followed by a discussion and demonstration of the traditional failure of the methodology to derive the electrostatic potential at arbitrary distances from a source charge. However, the self-energy involves the local limit of the difference between the electrostatic Green functions for the full dielectric heterostructure and the homogeneous equivalent. It is shown that high convergence may be achieved for the image charge method for this local limit. A simple re-normalisation technique is introduced to reduce the number of image terms to a minimum. A number of progressively complex 3D models are evaluated analytically and compared with high precision numerical computations. Accuracies of 1% are demonstrated. Introducing a simple technique for modeling the transition of the self-energy between disparate dielectric structures we generate an analytical model that describes the self-energy as a function of position within the source, drain and gated channel of a silicon wrap round gate field effect transistor on a scale of a few nanometers cross-section. At such scales the self-energies become large (typically up to ~100 meV) close to the interfaces as well as along the channel. The screening of a gated structure is shown to reduce the self

  8. Modeling and simulation of a proton beam space-charge neutralization

    International Nuclear Information System (INIS)

    Fleury, Xavier

    2000-01-01

    The aim of this work is to understand and to model the build-up of a plasma in the low-energy beam transport line of a proton accelerator. This plasma is generated by the beam, which ionizes the residual gas remaining in this low-energy section. By neutralizing the space-charge of the beam, the plasma modifies its transport, thus, to control the beam, it is necessary to study this phenomenon. In this work, we consider a continuous beam and we take interest in the stationary states of the plasma. We first restrict the description of the plasma to a plane perpendicular to the beam, by assuming that the beam and the plasma are longitudinally invariant. The build-up of the plasma is first described with a kinetic model where binary collisions are neglected, based on the Vlasov-Poisson system with source terms which take into account ionization. We prove mathematically that this system has no stationary solution, by using appropriate subsets of the phase-space that we call trapping-sets. Yet, measurements show that the plasma evolves towards a steady state. To account for this evolution, we modify the source terms of the model. The resulting model is solved by a particle-in-cell method, and the results are compared to the measurements. Then, we show that binary collisions between plasma electrons and beam ions or gas molecules help to maintain the equilibrium of the plasma. In the last part of the thesis, we use hydrodynamic models to investigate more easily the coupling between transversal and longitudinal effects. The preliminary study of a one-dimensional model enables to find the behaviour of the transverse potential of the plasma. Finally, a two-dimensional model of the transport of the beam when it is neutralized by the plasma is solved numerically, which shows that the longitudinal electric field should play an important role in the set-up of the equilibrium of the plasma. (author) [fr

  9. Computational modeling of chemical reactions and interstitial growth and remodeling involving charged solutes and solid-bound molecules.

    Science.gov (United States)

    Ateshian, Gerard A; Nims, Robert J; Maas, Steve; Weiss, Jeffrey A

    2014-10-01

    Mechanobiological processes are rooted in mechanics and chemistry, and such processes may be modeled in a framework that couples their governing equations starting from fundamental principles. In many biological applications, the reactants and products of chemical reactions may be electrically charged, and these charge effects may produce driving forces and constraints that significantly influence outcomes. In this study, a novel formulation and computational implementation are presented for modeling chemical reactions in biological tissues that involve charged solutes and solid-bound molecules within a deformable porous hydrated solid matrix, coupling mechanics with chemistry while accounting for electric charges. The deposition or removal of solid-bound molecules contributes to the growth and remodeling of the solid matrix; in particular, volumetric growth may be driven by Donnan osmotic swelling, resulting from charged molecular species fixed to the solid matrix. This formulation incorporates the state of strain as a state variable in the production rate of chemical reactions, explicitly tying chemistry with mechanics for the purpose of modeling mechanobiology. To achieve these objectives, this treatment identifies the specific theoretical and computational challenges faced in modeling complex systems of interacting neutral and charged constituents while accommodating any number of simultaneous reactions where reactants and products may be modeled explicitly or implicitly. Several finite element verification problems are shown to agree with closed-form analytical solutions. An illustrative tissue engineering analysis demonstrates tissue growth and swelling resulting from the deposition of chondroitin sulfate, a charged solid-bound molecular species. This implementation is released in the open-source program FEBio ( www.febio.org ). The availability of this framework may be particularly beneficial to optimizing tissue engineering culture systems by examining the

  10. Angular sensitivity of modeled scientific silicon charge-coupled devices to initial electron direction

    Energy Technology Data Exchange (ETDEWEB)

    Plimley, Brian, E-mail: brian.plimley@gmail.com [Nuclear Engineering Department, University of California, Berkeley, CA (United States); Coffer, Amy; Zhang, Yigong [Nuclear Engineering Department, University of California, Berkeley, CA (United States); Vetter, Kai [Nuclear Engineering Department, University of California, Berkeley, CA (United States); Nuclear Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA (United States)

    2016-08-11

    Previously, scientific silicon charge-coupled devices (CCDs) with 10.5-μm pixel pitch and a thick (650 μm), fully depleted bulk have been used to measure gamma-ray-induced fast electrons and demonstrate electron track Compton imaging. A model of the response of this CCD was also developed and benchmarked to experiment using Monte Carlo electron tracks. We now examine the trade-off in pixel pitch and electronic noise. We extend our CCD response model to different pixel pitch and readout noise per pixel, including pixel pitch of 2.5 μm, 5 μm, 10.5 μm, 20 μm, and 40 μm, and readout noise from 0 eV/pixel to 2 keV/pixel for 10.5 μm pixel pitch. The CCD images generated by this model using simulated electron tracks are processed by our trajectory reconstruction algorithm. The performance of the reconstruction algorithm defines the expected angular sensitivity as a function of electron energy, CCD pixel pitch, and readout noise per pixel. Results show that our existing pixel pitch of 10.5 μm is near optimal for our approach, because smaller pixels add little new information but are subject to greater statistical noise. In addition, we measured the readout noise per pixel for two different device temperatures in order to estimate the effect of temperature on the reconstruction algorithm performance, although the readout is not optimized for higher temperatures. The noise in our device at 240 K increases the FWHM of angular measurement error by no more than a factor of 2, from 26° to 49° FWHM for electrons between 425 keV and 480 keV. Therefore, a CCD could be used for electron-track-based imaging in a Peltier-cooled device.

  11. Numerical modeling on homogeneous charge compression ignition combustion engine fueled by diesel-ethanol blends

    Directory of Open Access Journals (Sweden)

    Hanafi H.

    2016-01-01

    Full Text Available This paper investigates the performance and emission characteristics of HCCI engines fueled with oxygenated fuels (ethanol blend. A modeling study was conducted to investigate the impact of ethanol addition on the performance, combustion and emission characteristics of a Homogeneous Charge Compression Ignition (HCCI engine fueled by diesel. One dimensional simulation was conducted using the renowned commercial software for diesel and its blend fuels with 5% (E5 and 10% ethanol (E10 (in vol. under full load condition at variable engine speed ranging from 1000 to 2750 rpm with 250 rpm increment. The model was then validated with other researcher’s experimental result. Model consists of intake and exhaust systems, cylinder, head, valves and port geometries. Performance tests were conducted for volumetric efficiency, brake engine torque, brake power, brake mean effective pressure, brake specific fuel consumption, and brake thermal efficiency, while exhaust emissions were analyzed for carbon monoxide (CO and unburned hydrocarbons (HC. The results showed that blending diesel with ethanol increases the volumetric efficiency, brake specific fuel consumption and brake thermal efficiency, while it decreases brake engine torque, brake power and brake mean effective pressure. In term of emission characteristics, the CO emissions concentrations in the engine exhaust decrease significantly with ethanol as additive. But for HC emission, its concentration increase when apply in high engine speed. In conclusion, using Ethanol as fuel additive blend with Diesel operating in HCCI shows a good result in term of performance and emission in low speed but not recommended to use in high speed engine. Ethanol-diesel blends need to researched more to make it commercially useable.

  12. Space-charge-limited-current diode model for amorphous silicon solar cell degradation

    International Nuclear Information System (INIS)

    Partain, L.D.

    1987-01-01

    A space-charge-limited-current (SCLI) diode model for trap controlled rectification in the dark is extended to a continuous trap distribution for p-i-n a-Si:H solar cells in the light. Light degradation, thermal annealing recovery, and 10% efficient device data are quantitatively fit with i layer, conduction electron concentrations between 1.95 (10 11 ) and 1.90 (10 12 ) cm -3 and band gap trap concentration densities between 7.66 (10 14 ) and 1.14 (10 18 ) cm -3 ev -1 for 0.2 to 0.5 eV below the conduction band edge (E/sub c/). Light exposure increased the trap density at 0.4 eV below E/sub c/ by a factor of 7. Annealing decreased the distance of the peak trap density from E/sub c/ by 0.2 eV. These results agree with trap distributions measured with field effect, DLTS, and ICTS and with theoretical models based on dangling bonds or on defect rearrangements. The model indicates that a minimum peak amplitude of 10 17 cm -3 eV -1 of trapping states is required at about 0.5 eV below E/sub c/ for high fill factors (FF) and open circuit voltages (V/sub oc/). Improved FF values of 0.76 are predicted for trap densities below 10 15 cm -3 eV -1 at 0.2 to 0.4 eV below E/sub c/. Increased V/sub oc/ values of 0.99 V are predicted for a peak trap density of 3.5 (10 17 ) cm -3 eV -1 at 0.5 eV below E/sub c/

  13. Mass terms of CP-violating Weinberg three-Higgs-doublet model at a charge-breaking vacuum

    International Nuclear Information System (INIS)

    Zarrinkamar, S.; Hassanabadi, H.; Rajabi, A.A.

    2010-01-01

    Weinberg three-Higgs-doublet model attracts interest in many aspects including the study of CP-violation as well as calculating the muon transverse polarization and neutron electric dipole moment. In the present work, we calculate the mass terms of CP-violating Weinberg 3HDM at a charge-breaking vacuum using an elaborate basis. (author)

  14. Constructing irregular surfaces to enclose macromolecular complexes for mesoscale modeling using the discrete surface charge optimization (DISCO) algorithm.

    Science.gov (United States)

    Zhang, Qing; Beard, Daniel A; Schlick, Tamar

    2003-12-01

    Salt-mediated electrostatics interactions play an essential role in biomolecular structures and dynamics. Because macromolecular systems modeled at atomic resolution contain thousands of solute atoms, the electrostatic computations constitute an expensive part of the force and energy calculations. Implicit solvent models are one way to simplify the model and associated calculations, but they are generally used in combination with standard atomic models for the solute. To approximate electrostatics interactions in models on the polymer level (e.g., supercoiled DNA) that are simulated over long times (e.g., milliseconds) using Brownian dynamics, Beard and Schlick have developed the DiSCO (Discrete Surface Charge Optimization) algorithm. DiSCO represents a macromolecular complex by a few hundred discrete charges on a surface enclosing the system modeled by the Debye-Hückel (screened Coulombic) approximation to the Poisson-Boltzmann equation, and treats the salt solution as continuum solvation. DiSCO can represent the nucleosome core particle (>12,000 atoms), for example, by 353 discrete surface charges distributed on the surfaces of a large disk for the nucleosome core particle and a slender cylinder for the histone tail; the charges are optimized with respect to the Poisson-Boltzmann solution for the electric field, yielding a approximately 5.5% residual. Because regular surfaces enclosing macromolecules are not sufficiently general and may be suboptimal for certain systems, we develop a general method to construct irregular models tailored to the geometry of macromolecules. We also compare charge optimization based on both the electric field and electrostatic potential refinement. Results indicate that irregular surfaces can lead to a more accurate approximation (lower residuals), and the refinement in terms of the electric field is more robust. We also show that surface smoothing for irregular models is important, that the charge optimization (by the TNPACK

  15. The tight binding model study of the role of anisotropic AFM spin ordering in the charge ordered CMR manganites

    Science.gov (United States)

    Kar, J. K.; Panda, Saswati; Rout, G. C.

    2017-05-01

    We propose here a tight binding model study of the interplay between charge and spin orderings in the CMR manganites taking anisotropic effect due to electron hoppings and spin exchanges. The Hamiltonian consists of the kinetic energies of eg and t2g electrons of manganese ion. It further includes double exchange and Heisenberg interactions. The charge density wave interaction (CDW) describes an extra mechanism for the insulating character of the system. The CDW gap and spin parameters are calculated using Zubarev's Green's function technique and computed self-consistently. The results are reported in this communication.

  16. Research on the application of PPP model in the Chinese construction and operation of new energy vehicle charging facilities

    Science.gov (United States)

    Zhu, Liping

    2017-05-01

    New energy car charging equipment is the development and popularization of new energy vehicles. It has the nature of quasi-public goods. Due to the large number of construction projects, wide distribution, big investment, it needs huge sums of money. PPP mode is a new financing model and has the inherent driving force to lead the idea the technology and the system innovation. The government and the social subject cooperate on the basis of the spirit of contract thus achieve benefit sharing. This mode effectively improve the operation of new energy vehicle charging facilities operating efficiency

  17. A Combined Model of Charging of the Surface and Bulk of a Dielectric Target by Electrons with the Energies 10-30 keV

    Science.gov (United States)

    Zykov, V. M.; Neiman, D. A.

    2018-04-01

    A physico-mathematical model of the processes of radiation-induced charging of dielectric materials with open surfaces, irradiated with monoenergetic electrons in the energy range 10-30 keV, is described. The model takes into account the relationship between the processes of surface and bulk charging for the given conditions of the experimental design, which accounts for the effect of anomalously long charging of dielectrics after the incident energy of primary electrons during charging is reduced to below the second critical energy for the secondary electronic emission coefficient. The initial fast phase of charging a high-resistivity dielectric material (Al2O3) is investigated. It is shown that as the incident electron energy is approaching the second critical energy during charging, the secondary electronic emission is partially suppressed due to negative charging of the open surface of the dielectric and formation of a near-surface inversion electrical field retarding the electronic emission yield.

  18. Coulombic charge ice

    Science.gov (United States)

    McClarty, P. A.; O'Brien, A.; Pollmann, F.

    2014-05-01

    We consider a classical model of charges ±q on a pyrochlore lattice in the presence of long-range Coulomb interactions. This model first appeared in the early literature on charge order in magnetite [P. W. Anderson, Phys. Rev. 102, 1008 (1956), 10.1103/PhysRev.102.1008]. In the limit where the interactions become short ranged, the model has a ground state with an extensive entropy and dipolar charge-charge correlations. When long-range interactions are introduced, the exact degeneracy is broken. We study the thermodynamics of the model and show the presence of a correlated charge liquid within a temperature window in which the physics is well described as a liquid of screened charged defects. The structure factor in this phase, which has smeared pinch points at the reciprocal lattice points, may be used to detect charge ice experimentally. In addition, the model exhibits fractionally charged excitations ±q/2 which are shown to interact via a 1/r potential. At lower temperatures, the model exhibits a transition to a long-range ordered phase. We are able to treat the Coulombic charge ice model and the dipolar spin ice model on an equal footing by mapping both to a constrained charge model on the diamond lattice. We find that states of the two ice models are related by a staggering field which is reflected in the energetics of these two models. From this perspective, we can understand the origin of the spin ice and charge ice ground states as coming from a dipolar model on a diamond lattice. We study the properties of charge ice in an external electric field, finding that the correlated liquid is robust to the presence of a field in contrast to the case of spin ice in a magnetic field. Finally, we comment on the transport properties of Coulombic charge ice in the correlated liquid phase.

  19. Charge radii and electromagnetic moments of Li and Be isotopes from the ab initio no-core shell model

    International Nuclear Information System (INIS)

    Forssen, C.; Caurier, E.; Navratil, P.

    2009-01-01

    Recently, charge radii and ground-state electromagnetic moments of Li and Be isotopes were measured precisely. We have performed large-scale ab initio no-core shell model calculations for these isotopes using high-precision nucleon-nucleon potentials. The isotopic trends of our computed charge radii and quadrupole and magnetic-dipole moments are in good agreement with experimental results with the exception of the 11 Li charge radius. The magnetic moments are in particular well described, whereas the absolute magnitudes of the quadrupole moments are about 10% too small. The small magnitude of the 6 Li quadrupole moment is reproduced, and with the CD-Bonn NN potential, also its correct sign

  20. Computer-aided model analysis for ionic strength-dependent effective charge of protein in ion-exchange chromatography

    DEFF Research Database (Denmark)

    Lim, Young-il; Jørgensen, Sten Bay; Kim, In-Ho

    2005-01-01

    differential algebraic equation (PDAE) system, a fast and accurate numerical method (i.e., conservation element/solution element (CE/SE) method), is proposed. Sensitivity and elasticity of the model parameters (e.g., steric/shape factors, adsorption heat coefficient, effective protein charge, equilibrium...... constant, mass transfer coefficient, axial dispersion coefficient and bed voidage) are analyzed for a BSA-salt system in a low protein concentration range. Within a low concentration range of bovine serum albumin (BSA) where linear adsorption isotherms are shown, the adsorption heat coefficient, shape...... salt concentrations, it is proposed that the effective protein charge could depend upon the salt concentration (or ionic strength). The reason for this dependence may be a steric hindrance of protein binding sites combined with a salt shielding effect neutralizing the surface charges of the protein. (c...

  1. 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.

  2. Modeling space-charge-limited currents in organic semiconductors: Extracting trap density and mobility

    KAUST Repository

    Dacuña, Javier

    2011-11-28

    We have developed and have applied a mobility edge model that takes drift and diffusion currents to characterize the space-charge-limited current in organic semiconductors into account. The numerical solution of the drift-diffusion equation allows the utilization of asymmetric contacts to describe the built-in potential within the device. The model has been applied to extract information of the distribution of traps from experimental current-voltage measurements of a rubrene single crystal from Krellner showing excellent agreement across several orders of magnitude in the current. Although the two contacts are made of the same metal, an energy offset of 580 meV between them, ascribed to differences in the deposition techniques (lamination vs evaporation) was essential to correctly interpret the shape of the current-voltage characteristics at low voltage. A band mobility of 0.13cm 2V-1s-1 for holes is estimated, which is consistent with transport along the long axis of the orthorhombic unit cell. The total density of traps deeper than 0.1 eV was 2.2×1016cm -3. The sensitivity analysis and error estimation in the obtained parameters show that it is not possible to accurately resolve the shape of the trap distribution for energies deeper than 0.3 eV or shallower than 0.1 eV above the valence-band edge. The total number of traps deeper than 0.3 eV, however, can be estimated. Contact asymmetry and the diffusion component of the current play an important role in the description of the device at low bias and are required to obtain reliable information about the distribution of deep traps. © 2011 American Physical Society.

  3. Spectral modeling of the charge-exchange X-ray emission from M82

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuinai; Ji, Li; Zhou, Xin [Purple Mountain Observatory, CAS, Nanjing 210008 (China); Wang, Q. Daniel [Astronomy Department, University of Massachusetts, Amherst, MA 01003 (United States); Smith, Randall K.; Foster, Adam R., E-mail: snzhang@pmo.ac.cn [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States)

    2014-10-10

    It has been proposed that the charge-exchange (CX) process at the interface between hot and cool interstellar gases could contribute significantly to the observed soft X-ray emission in star-forming galaxies. We analyze the XMM-Newton/reflection grating spectrometer (RGS) spectrum of M82 using a newly developed CX model combined with a single-temperature thermal plasma to characterize the volume-filling hot gas. The CX process is largely responsible for not only the strongly enhanced forbidden lines of the Kα triplets of various He-like ions but also good fractions of the Lyα transitions of C VI (∼87%), O VIII, and N VII (≳50%) as well. In total about a quarter of the X-ray flux in the RGS 6-30 Å band originates in the CX. We infer an ion incident rate of 3 × 10{sup 51} s{sup –1} undergoing CX at the hot and cool gas interface and an effective area of the interface of ∼2 × 10{sup 45} cm{sup 2} that is one order of magnitude larger than the cross section of the global biconic outflow. With the CX contribution accounted for, the best-fit temperature of the hot gas is 0.6 keV, and the metal abundances are approximately solar. We further show that the same CX/thermal plasma model also gives an excellent description of the EPIC-pn spectrum of the outflow Cap, projected at 11.6 kpc away from the galactic disk of M82. This analysis demonstrates that the CX is potentially an important contributor to the X-ray emission from starburst galaxies and also an invaluable tool to probe the interface astrophysics.

  4. Nonlinear dynamics for charges particle beams with a curved axis in the matrix - recursive model

    Energy Technology Data Exchange (ETDEWEB)

    Dymnikov, A D [University of St Petersburg, (Russian Federation). Institute of Computational Mathematics and Control Process

    1994-12-31

    In this paper a new matrix and recursive approach has been outlined for treating nonlinear optics of charged particle beams. This approach is a new analytical and computational tool for designers of optimal beam control systems. 9 refs.

  5. Nonlinear dynamics for charges particle beams with a curved axis in the matrix - recursive model

    Energy Technology Data Exchange (ETDEWEB)

    Dymnikov, A.D. [University of St Petersburg, (Russian Federation). Institute of Computational Mathematics and Control Process

    1993-12-31

    In this paper a new matrix and recursive approach has been outlined for treating nonlinear optics of charged particle beams. This approach is a new analytical and computational tool for designers of optimal beam control systems. 9 refs.

  6. Nonlinear dynamics for charges particle beams with a curved axis in the matrix - recursive model

    International Nuclear Information System (INIS)

    Dymnikov, A.D.

    1993-01-01

    In this paper a new matrix and recursive approach has been outlined for treating nonlinear optics of charged particle beams. This approach is a new analytical and computational tool for designers of optimal beam control systems. 9 refs

  7. Modeling and state-of-charge prediction of lithium-ion battery and ultracapacitor hybrids with a co-estimator

    International Nuclear Information System (INIS)

    Wang, Yujie; Liu, Chang; Pan, Rui; Chen, Zonghai

    2017-01-01

    The modeling and state-of-charge estimation of the batteries and ultracapacitors are crucial to the battery/ultracapacitor hybrid energy storage system. In recent years, the model based state estimators are welcomed widely, since they can adjust the gain according to the error between the model predictions and measurements timely. In most of the existing algorithms, the model parameters are either configured by theoretical values or identified off-line without adaption. But in fact, the model parameters always change continuously with loading wave or self-aging, and the lack of adaption will reduce the estimation accuracy significantly. To overcome this drawback, a novel co-estimator is proposed to estimate the model parameters and state-of-charge simultaneously. The extended Kalman filter is employed for parameter updating. To reduce the convergence time, the recursive least square algorithm and the off-line identification method are used to provide initial values with small deviation. The unscented Kalman filter is employed for the state-of-charge estimation. Because the unscented Kalman filter takes not only the measurement uncertainties but also the process uncertainties into account, it is robust to the noise. Experiments are executed to explore the robustness, stability and precision of the proposed method. - Highlights: • A co-estimator is proposed to estimate the model parameters and state-of-charge. • The extended Kalman filter is used for model parameter adaption. • The unscented Kalman filter is designed for state estimation with strong robust. • The dynamic profiles are employed to verify the proposed co-estimator.

  8. Surface speciation of yttrium and neodymium sorbed on rutile: Interpretations using the charge distribution model

    Science.gov (United States)

    Ridley, Moira K.; Hiemstra, Tjisse; Machesky, Michael L.; Wesolowski, David J.; van Riemsdijk, Willem H.

    2012-10-01

    The adsorption of Y3+ and Nd3+ onto rutile has been evaluated over a wide range of pH (3-11) and surface loading conditions, as well as at two ionic strengths (0.03 and 0.3 m), and temperatures (25 and 50 °C). The experimental results reveal the same adsorption behavior for the two trivalent ions onto the rutile surface, with Nd3+ first adsorbing at slightly lower pH values. The adsorption of both Y3+ and Nd3+ commences at pH values below the pHznpc of rutile. The experimental results were evaluated using a charge distribution (CD) and multisite complexation (MUSIC) model, and Basic Stern layer description of the electric double layer (EDL). The coordination geometry of possible surface complexes were constrained by molecular-level information obtained from X-ray standing wave measurements and molecular dynamic (MD) simulation studies. X-ray standing wave measurements showed an inner-sphere tetradentate complex for Y3+ adsorption onto the (1 1 0) rutile surface (Zhang et al., 2004b). The MD simulation studies suggest additional bidentate complexes may form. The CD values for all surface species were calculated based on a bond valence interpretation of the surface complexes identified by X-ray and MD. The calculated CD values were corrected for the effect of dipole orientation of interfacial water. At low pH, the tetradentate complex provided excellent fits to the Y3+ and Nd3+ experimental data. The experimental and surface complexation modeling results show a strong pH dependence, and suggest that the tetradentate surface species hydrolyze with increasing pH. Furthermore, with increased surface loading of Y3+ on rutile the tetradentate binding mode was augmented by a hydrolyzed-bidentate Y3+ surface complex. Collectively, the experimental and surface complexation modeling results demonstrate that solution chemistry and surface loading impacts Y3+ surface speciation. The approach taken of incorporating molecular-scale information into surface complexation models

  9. 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.

  10. Modeling the effect of shunt current on the charge transfer efficiency of an all-vanadium redox flow battery

    Science.gov (United States)

    Chen, Yong-Song; Ho, Sze-Yuan; Chou, Han-Wen; Wei, Hwa-Jou

    2018-06-01

    In an all-vanadium redox flow battery (VRFB), a shunt current is inevitable owing to the electrically conductive electrolyte that fills the flow channels and manifolds connecting cells. The shunt current decreases the performance of a VRFB stack as well as the energy conversion efficiency of a VRFB system. To understand the shunt-current loss in a VRFB stack with various designs and operating conditions, a mathematical model is developed to investigate the effects of the shunt current on battery performance. The model is calibrated with experimental data under the same operating conditions. The effects of the battery design, including the number of cells, state of charge (SOC), operating current, and equivalent resistance of the electrolytes in the flow channels and manifolds, on the shunt current are analyzed and discussed. The charge-transfer efficiency is calculated to investigate the effects of the battery design parameters on the shunt current. When the cell number is increased from 5 to 40, the charge transfer efficiency is decreased from 0.99 to a range between 0.76 and 0.88, depending on operating current density. The charge transfer efficiency can be maintained at higher than 0.9 by limiting the cell number to less than 20.

  11. Thermally coupled moving boundary model for charge-discharge of LiFePO4/C cells

    Science.gov (United States)

    Khandelwal, Ashish; Hariharan, Krishnan S.; Gambhire, Priya; Kolake, Subramanya Mayya; Yeo, Taejung; Doo, Seokgwang

    2015-04-01

    Optimal thermal management is a key requirement in commercial utilization of lithium ion battery comprising of phase change electrodes. In order to facilitate design of battery packs, thermal management systems and fast charging profiles, a thermally coupled electrochemical model that takes into account the phase change phenomenon is required. In the present work, an electrochemical thermal model is proposed which includes the biphasic nature of phase change electrodes, such as lithium iron phosphate (LFP), via a generalized moving boundary model. The contribution of phase change to the heat released during the cell operation is modeled using an equivalent enthalpy approach. The heat released due to phase transformation is analyzed in comparison with other sources of heat such as reversible, irreversible and ohmic. Detailed study of the thermal behavior of the individual cell components with changing ambient temperature, rate of operation and heat transfer coefficient is carried out. Analysis of heat generation in the various regimes is used to develop cell design and operating guidelines. Further, different charging protocols are analyzed and a model based methodology is suggested to design an efficient quick charging protocol.

  12. 3-D pore-scale resolved model for coupled species/charge/fluid transport in a vanadium redox flow battery

    International Nuclear Information System (INIS)

    Qiu Gang; Joshi, Abhijit S.; Dennison, C.R.; Knehr, K.W.; Kumbur, E.C.; Sun Ying

    2012-01-01

    The vanadium redox flow battery (VRFB) has emerged as a viable grid-scale energy storage technology that offers cost-effective energy storage solutions for renewable energy applications. In this paper, a novel methodology is introduced for modeling of the transport mechanisms of electrolyte flow, species and charge in the VRFB at the pore scale of the electrodes; that is, at the level where individual carbon fiber geometry and electrolyte flow are directly resolved. The detailed geometry of the electrode is obtained using X-ray computed tomography (XCT) and calibrated against experimentally determined pore-scale characteristics (e.g., pore and fiber diameter, porosity, and surface area). The processed XCT data is then used as geometry input for modeling of the electrochemical processes in the VRFB. The flow of electrolyte through the pore space is modeled using the lattice Boltzmann method (LBM) while the finite volume method (FVM) is used to solve the coupled species and charge transport and predict the performance of the VRFB under various conditions. An electrochemical model using the Butler–Volmer equations is used to provide species and charge coupling at the surfaces of the carbon fibers. Results are obtained for the cell potential distribution, as well as local concentration, overpotential and current density profiles under galvanostatic discharge conditions. The cell performance is investigated as a function of the electrolyte flow rate and external drawing current. The model developed here provides a useful tool for building the structure–property–performance relationship of VRFB electrodes.

  13. Overview of Lithium-Ion Battery Modeling Methods for State-of-Charge Estimation in Electrical Vehicles

    DEFF Research Database (Denmark)

    Jinhao, Meng; Guangzhao, Luo; Ricco, Mattia

    2018-01-01

    As a critical indictor in the Battery Management System (BMS), State of Charge (SOC) is closely related to the reliable and safe operation of lithium-ion (Li-ion) batteries. Model-based methods are an effective solution for accurate and robust SOC estimation, the performance of which heavily relies...... on the battery model. This paper mainly focuses on battery modeling methods, which have the potential to be used in a model-based SOC estimation structure. Battery modeling methods are classified into four categories on the basis of their theoretical foundations, and their expressions and features are detailed....... Furthermore, the four battery modeling methods are compared in terms of their pros and cons. Future research directions are also presented. In addition, after optimizing the parameters of the battery models by a Genetic Algorithm (GA), four typical battery models including a combined model, two RC Equivalent...

  14. Modeling on oxide dependent 2DEG sheet charge density and threshold voltage in AlGaN/GaN MOSHEMT

    Science.gov (United States)

    Panda, J.; Jena, K.; Swain, R.; Lenka, T. R.

    2016-04-01

    We have developed a physics based analytical model for the calculation of threshold voltage, two dimensional electron gas (2DEG) density and surface potential for AlGaN/GaN metal oxide semiconductor high electron mobility transistors (MOSHEMT). The developed model includes important parameters like polarization charge density at oxide/AlGaN and AlGaN/GaN interfaces, interfacial defect oxide charges and donor charges at the surface of the AlGaN barrier. The effects of two different gate oxides (Al2O3 and HfO2) are compared for the performance evaluation of the proposed MOSHEMT. The MOSHEMTs with Al2O3 dielectric have an advantage of significant increase in 2DEG up to 1.2 × 1013 cm-2 with an increase in oxide thickness up to 10 nm as compared to HfO2 dielectric MOSHEMT. The surface potential for HfO2 based device decreases from 2 to -1.6 eV within 10 nm of oxide thickness whereas for the Al2O3 based device a sharp transition of surface potential occurs from 2.8 to -8.3 eV. The variation in oxide thickness and gate metal work function of the proposed MOSHEMT shifts the threshold voltage from negative to positive realizing the enhanced mode operation. Further to validate the model, the device is simulated in Silvaco Technology Computer Aided Design (TCAD) showing good agreement with the proposed model results. The accuracy of the developed calculations of the proposed model can be used to develop a complete physics based 2DEG sheet charge density and threshold voltage model for GaN MOSHEMT devices for performance analysis.

  15. The measurement and modeling of alpha-particle-induced charge collection in dynamic memories

    International Nuclear Information System (INIS)

    Oldiges, P.J.

    1989-01-01

    This thesis addresses the problem of α-particle-induced charge collection in high-density dynamic random access memories. A novel technique for the measurement of charge collection in high-density memory cells and bit lines due to α-particle strikes was developed. The technique involves D.C. tests on simple test structures with an α-particle source on the device package as a lid. The advantages of this new measurement technique are: the method allows for in-situ measurements of charge collection on both MOS capacitors and bit lines found in present-day memories; the on-chip measurement technique minimizes errors due to external probes loading the device under test; the measurements can be controlled by a personal computer, with the data being able to be reduced on the same machine. Results obtained using this new measurement technique show that the charge collection is found to depend upon test-structure size and the configuration of its neighbors. Results of two-dimensional simulations of charge flow along the surface of an MOS capacitor from current injection due to an α-particle strike indicate that a spatial potential variation of 0.5V may occur between the point of current injection and capacitor edge for a 1M dRAM capacitor

  16. Theoretical model for the detection of charged proteins with a silicon-on-insulator sensor

    International Nuclear Information System (INIS)

    Birner, S; Uhl, C; Bayer, M; Vogl, P

    2008-01-01

    For a bio-sensor device based on a silicon-on-insulator structure, we calculate the sensitivity to specific charge distributions in the electrolyte solution that arise from protein binding to the semiconductor surface. This surface is bio-functionalized with a lipid layer so that proteins can specifically bind to the headgroups of the lipids on the surface. We consider charged proteins such as the green fluorescent protein (GFP) and artificial proteins that consist of a variable number of aspartic acids. Specifically, we calculate self-consistently the spatial charge and electrostatic potential distributions for different ion concentrations in the electrolyte. We fully take into account the quantum mechanical charge density in the semiconductor. We determine the potential change at the binding sites as a function of protein charge and ionic strength. Comparison with experiment is generally very good. Furthermore, we demonstrate the superiority of the full Poisson-Boltzmann equation by comparing its results to the simplified Debye-Hueckel approximation

  17. A schematic model for energy and charge transfer in the chlorophyll complex

    DEFF Research Database (Denmark)

    Bohr, Henrik; Malik, F.B.

    2011-01-01

    A theory for simultaneous charge and energy transfer in the carotenoid-chlorophyll-a complex is presented here and discussed. The observed charge transfer process in these chloroplast complexes is reasonably explained in terms of this theory. In addition, the process leads to a mechanism to drive...... an electron in a lower to a higher-energy state, thus providing a mechanism for the ejection of the electron to a nearby molecule (chlorophyll) or into the environment. The observed lifetimes of the electronically excited states are in accord/agreement with the investigations of Sundström et al....... and are in the range of pico-seconds and less. The change in electronic charge distribution in internuclear space as the system undergoes an electronic transition to a higher-energy state could, under appropriate physical conditions, lead to oscillating dipoles capable of transmitting energy from the carotenoid-chlorophylls...

  18. Space Charge Effects and Advanced Modelling for CERN Low Energy Machines

    CERN Document Server

    AUTHOR|(CDS)2088716; Rumolo, Giovanni

    The strong space charge regime of future operation of CERN’s circular particle accelerators is investigated and mitigation strategies are developed in the framework of the present thesis. The intensity upgrade of the injector chain of Large Hadron Collider (LHC) prepares the particle accelerators to meet the requirements of the High-Luminosity LHC project. Producing the specified characteristics of the future LHC beams imperatively relies on injecting brighter bunches into the Proton Synchrotron Booster (PSB), the downstream Proton Synchrotron (PS) and eventually the Super Proton Synchrotron (SPS). The increased brightness, i.e. bunch intensity per transverse emittance, entails stronger beam self-fields which can lead to harmful interaction with betatron resonances. Possible beam emittance growth and losses as a consequence thereof threaten to degrade the beam brightness. These space charge effects are partly mitigated by the upgrade of the PSB and PS injection energies. Nevertheless, the space charge tune ...

  19. Dynamic Price Vector Formation Model-Based Automatic Demand Response Strategy for PV-Assisted EV Charging Stations

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qifang; Wang, Fei; Hodge, Bri-Mathias; Zhang, Jianhua; Li, Zhigang; Shafie-Khah, Miadreza; Catalao, Joao P. S.

    2017-11-01

    A real-time price (RTP)-based automatic demand response (ADR) strategy for PV-assisted electric vehicle (EV) Charging Station (PVCS) without vehicle to grid is proposed. The charging process is modeled as a dynamic linear program instead of the normal day-ahead and real-time regulation strategy, to capture the advantages of both global and real-time optimization. Different from conventional price forecasting algorithms, a dynamic price vector formation model is proposed based on a clustering algorithm to form an RTP vector for a particular day. A dynamic feasible energy demand region (DFEDR) model considering grid voltage profiles is designed to calculate the lower and upper bounds. A deduction method is proposed to deal with the unknown information of future intervals, such as the actual stochastic arrival and departure times of EVs, which make the DFEDR model suitable for global optimization. Finally, both the comparative cases articulate the advantages of the developed methods and the validity in reducing electricity costs, mitigating peak charging demand, and improving PV self-consumption of the proposed strategy are verified through simulation scenarios.

  20. Electro-osmosis in kaolinite with pH-dependent surface charge modelling by homogenization

    Directory of Open Access Journals (Sweden)

    Sidarta A. Lima

    2010-03-01

    Full Text Available A new three-scale model to describe the coupling between pH-dependent flows and transient ion transport, including adsorption phenomena in kaolinite clays, is proposed. The kaolinite is characterized by three separate nano/micro and macroscopic length scales. The pore (micro-scale is characterized by micro-pores saturated by an aqueous solution containing four monovalent ions and charged solid particles surrounded by thin electrical double layers. The movement of the ions is governed by the Nernst-Planck equations, and the influence of the double layers upon the flow is dictated by the Helmholtz-Smoluchowski slip boundary condition on the tangential velocity. In addition, an adsorption interface condition for the Na+ transportis postulated to capture its retention in the electrical double layer. Thetwo-scalenano/micro model including salt adsorption and slip boundary condition is homogenized to the Darcy scale and leads to the derivation of macroscopic governing equations. One of the notable features of the three-scale model is there construction of the constitutive law of effective partition coefficient that governs the sodium adsorption in the double layer. To illustrate the feasibility of the three-scale model in simulating soil decontamination by electrokinetics, the macroscopic model is discretized by the finite volume method and the desalination of a kaolinite sample by electrokinetics is simulated.Neste artigo propomos um modelo em três escalas para descrever o acoplamento entre o fluxo eletroosmótico e o transporte de íons incluindo fenômenos de adsorção em uma caulinita. A argila é caracterizada por três escalas nano/micro e macroscópica. A escala microscópica é constituída por micro-poros saturados por uma solução aquosa contendo quatro íons monovalentes e partículas sólidas carregadas eletricamente circundadas por uma dupla camada elétrica fina. O movimento dos íons é governado pelas equações de Nernst-Planck e a

  1. A stochastic model of multiple scattering of charged particles: process, transport equation and solutions

    International Nuclear Information System (INIS)

    Papiez, L.; Moskvin, V.; Tulovsky, V.

    2001-01-01

    The process of angular-spatial evolution of multiple scattering of charged particles can be described by a special case of Boltzmann integro-differential equation called Lewis equation. The underlying stochastic process for this evolution is the compound Poisson process on the surface of the unit sphere. The significant portion of events that constitute compound Poisson process that describes multiple scattering have diffusional character. This property allows to analyze the process of angular-spatial evolution of multiple scattering of charged particles as combination of soft and hard collision processes and compute appropriately its transition densities. These computations provide a method of the approximate solution to the Lewis equation. (orig.)

  2. Modelling of prompt losses of high energy charged particles in Tokamaks

    International Nuclear Information System (INIS)

    Dillner, Oe.; Anderson, D.; Hamnen, H.; Lisak, M.

    1990-01-01

    A simple analytical expression for the total prompt loss fraction of high energy charged particles in an axisymmetric Tokamak is derived. The results are compared with predictions obtained from numerical simulations and show good agreement. An application is made to sawtooth induced changes in the losses of fusion generated high energy charged particles. Particular emphasis is given to the importance of sawtooth induced profile changes of the background ion densities and temperature as well as to redistribution of particles which have accumulated during the sawtooth rise but are being lost by redistribution at the sawtooth crash. (au)

  3. Non-standard charged Higgs decay at the LHC in Next-to-Minimal Supersymmetric Standard Model

    Energy Technology Data Exchange (ETDEWEB)

    Bandyopadhyay, Priyotosh [Dipartimento di Matematica e Fisica “Ennio De Giorgi”, Università del Salento and INFN-Lecce,Via Arnesano, 73100 Lecce (Italy); Huitu, Katri [Department of Physics, and Helsinki Institute of Physics,P.O.B 64 (Gustaf Hällströmin katu 2), FI-00014 University of Helsinki (Finland); Niyogi, Saurabh [The Institute of Mathematical Sciences,CIT Campus, Chennai (India)

    2016-07-04

    We consider next-to-minimal supersymmetric standard model (NMSSM) which has a gauge singlet superfield. In the scale invariant superpotential we do not have the mass terms and the whole Lagrangian has an additional Z{sub 3} symmetry. This model can have light scalar and/or pseudoscalar allowed by the recent data from LHC and the old data from LEP. We investigate the situation where a relatively light charged Higgs can decay to such a singlet-like pseudoscalar and a W{sup ±} boson giving rise to a final state containing τ and/or b-jets and lepton(s). Such decays evade the recent bounds on charged Higgs from the LHC, and according to our PYTHIA-FastJet based simulation can be probed with 10 fb{sup −1} at the LHC center of mass energy of 13 and 14 TeV.

  4. On neutrino and charged lepton masses and mixings: a view from the electroweak-scale right-handed neutrino model

    Energy Technology Data Exchange (ETDEWEB)

    Hung, P.Q.; Le, Trinh [Department of Physics, University of Virginia,Charlottesville, VA 22904-4714 (United States)

    2015-09-01

    We present a model of neutrino masses within the framework of the EW-ν{sub R} model in which the experimentally desired form of the PMNS matrix is obtained by applying an A{sub 4} symmetry to the Higgs singlet sector responsible for the neutrino Dirac mass matrix. This mechanism naturally avoids potential conflict with the LHC data which severely constrains the Higgs sector, in particular the Higgs doublets. Moreover, by making a simple ansa{sup ¨}tz we extract M{sub l}M{sub l}{sup †} for the charged lepton sector. A similar ansa{sup ¨}tz is proposed for the quark sector. The sources of masses for the neutrinos are entirely different from those for the charged leptons and for the quarks and this might explain why U{sub PMNS} is very different from V{sub CKM}.

  5. Phenomenology of the SU(3)cxSU(3)LxU(1)X model with exotic charged leptons

    International Nuclear Information System (INIS)

    Salazar, Juan C.; Ponce, William A.; Gutierrez, Diego A.

    2007-01-01

    A phenomenological analysis of the three-family model based on the local gauge group SU(3) c xSU(3) L xU(1) X with exotic charged leptons, is carried out. Instead of using the minimal scalar sector able to break the symmetry in a proper way, we introduce an alternative set of four Higgs scalar triplets, which combined with an anomaly-free discrete symmetry, produce quark and charged lepton mass spectrum without hierarchies in the Yukawa coupling constants. We also embed the structure into a simple gauge group and show some conditions to achieve a low energy gauge coupling unification, avoiding possible conflict with proton decay bounds. By using experimental results from the CERN-LEP, SLAC linear collider, and atomic parity violation data, we update constraints on several parameters of the model

  6. Charge and pairing dynamics in the attractive Hubbard model: Mode coupling and the validity of linear-response theory

    Science.gov (United States)

    Bünemann, Jörg; Seibold, Götz

    2017-12-01

    Pump-probe experiments have turned out as a powerful tool in order to study the dynamics of competing orders in a large variety of materials. The corresponding analysis of the data often relies on standard linear-response theory generalized to nonequilibrium situations. Here we examine the validity of such an approach for the charge and pairing response of systems with charge-density wave and (or) superconducting (SC) order. Our investigations are based on the attractive Hubbard model which we study within the time-dependent Hartree-Fock approximation. In particular, we calculate the quench and pump-probe dynamics for SC and charge order parameters in order to analyze the frequency spectra and the coupling of the probe field to the specific excitations. Our calculations reveal that the "linear-response assumption" is justified for small to moderate nonequilibrium situations (i.e., pump pulses) in the case of a purely charge-ordered ground state. However, the pump-probe dynamics on top of a superconducting ground state is determined by phase and amplitude modes which get coupled far from the equilibrium state indicating the failure of the linear-response assumption.

  7. Semiclassical model of atomic collisions: stopping and capture of the heavy charged particles and exotic atom formation

    International Nuclear Information System (INIS)

    Beck, W.A.

    2000-01-01

    The semiclassical model of atomic collisions, especially in different areas of the maximum stopping, when proton collides at the velocity of the boron order velocity, providing as the result for interactions of many bodies with an electron target, enabling application of the model with high degree of confidence to a clearly expressed experimental problem, such the antiproton capture on helium, is presented. The semiclassical collision model and stopping energy are considered. The stopping and capture of negatively-charged particles are investigated. The capture and angular moments of antiprotons, captures at the end of the collision cascade, are presented [ru

  8. Modeling and analysis of LiFePO4/Carbon battery considering two-phase transition during galvanostatic charging/discharging

    International Nuclear Information System (INIS)

    Li, Xueyan; Xiao, Meng; Choe, Song-Yul; Joe, Won Tae

    2015-01-01

    Highlights: • Reduced order model for LiFePO 4 particles considering two-phase transition • Model validation with experimental results of current and voltage • Analysis of two-phase transition and path dependence - Abstract: Batteries with lithium iron phosphate (LFP) cathode and carbon anode have shown various advantages over those with other chemistries, but the plateau and path dependence caused by the two-phase transition taking place during charging and discharging make it difficult to estimate the states of battery. Thus, based on electrochemical principles we propose a new reduced order model that has been validated against experimental data obtained during galvanostatic charging/discharging. The mechanism of the two-phase transition during lithiation and delithiation in LFP particles is approximated using a shrinking corewith a moving interface between the two phases and is described by modified diffusion equations that take into account multiple layers formed within LFP particles. The shrinking core model is integrated into a cell model developed previously, which is used to analyze the path dependence at different load profiles. The results show that the model is capable of representing the characteristics of the plateau and path dependence. Particularly, the available charge at a certain State of Charge (SOC) varies dependent upon paths to reach the SOC. When an initial SOC is reached by discharging, the cell can accept more charges during charging, while when an initial SOC is reached by charging, more charge will be available during discharging

  9. KOP program for calculating cross sections of neutron and charged particle interactions with atomic nuclei using the optical model

    International Nuclear Information System (INIS)

    Grudzevich, O.D.; Zelenetskij, A.V.; Pashchenko, A.B.

    1986-01-01

    The last version of the KOP program for calculating cross sections of neutron and charged particle interaction with atomic nuclei within the scope of the optical model is described. The structure and program organization, library of total parameters of the optical potential, program identificators and peculiarities of its operation, input of source data and output of calculational results for printing are described in detail. The KOP program is described in Fortran- and adapted for EC-1033 computer

  10. Electric dipole moments of charged leptons in the split fermion scenario in the two Higgs doublet model

    International Nuclear Information System (INIS)

    Iltan, E.O.

    2005-01-01

    We predict the charged lepton electric dipole moments in the split fermion scenario in the framework of the two Higgs doublet model. We observe that the numerical value of the muon (tau) electric dipole moment is of the order of the magnitude of 10 -22 e cm (10 -20 e cm) and there is an enhancement in the case of two extra dimensions, especially for the tau lepton electric dipole moment. (orig.)

  11. Theoretical modeling of influence of the structural disorder on the charge carrier mobility in triphenylene stacks

    Czech Academy of Sciences Publication Activity Database

    Mikolajczyk, M.; Toman, Petr; Bartkowiak, W.

    2010-01-01

    Roč. 485, 1-3 (2010), s. 253-257 ISSN 0009-2614 R&D Projects: GA MŠk MEB050815; GA AV ČR IAA401770601 Institutional research plan: CEZ:AV0Z40500505 Keywords : triphenylene * charge carrier mobility * tight-binding approximation Subject RIV: CD - Macromolecular Chemistry Impact factor: 2.282, year: 2010

  12. Battery Aging, Battery Charging and the Kinetic Battery Model : A First Exploration

    NARCIS (Netherlands)

    Jongerden, Marijn R.; Haverkort, Boudewijn R.; Bertrand, Nathalie; Bortolussi, Luca

    2017-01-01

    Rechargeable batteries are omnipresent and will be used more and more, for instance for wearables devices, electric vehicles or domestic energy storage. However, batteries can deliver power only for a limited time span. They slowly degrade with every charge-discharge cycle. This degradation needs to

  13. Modeling and Control of Flexible HEV Charging Station upgraded with Flywheel Energy Storage

    DEFF Research Database (Denmark)

    Dragicevic, Tomislav; Shafiee, Qobad; Wu, Dan

    2014-01-01

    This paper deals with the design of a fast DC charging station (FCS) for hybrid electric vehicles (HEVs) that is connected at a remote location. Power rating of this new technology can go up to a hundred kW and it represents a main challenge for its broad acceptance in distribution systems...

  14. Modelling the effect of nonplanarity on charge transport along conjugated polymer chains

    International Nuclear Information System (INIS)

    Correia, Helena M.G.; Ramos, Marta M.D.

    2007-01-01

    Conjugated polymers show interesting properties that make them appropriated for nanoelectronics. Several studies of poly(p-phenylene vinylene) (PPV) have suggested that each polymer chain consists of several planar segments, with conjugation length of nanoscale dimension, linked by twists or kinks. A pronounced twist between two planar segments in a PPV chain not only causes loss of main-chain conjugation but it may also alter electron and hole mobility along the chain, which has further implications for the percolation of charge through the polymer film. We used self-consistent quantum molecular dynamics calculations to provide information on the electric field needed to move the injected charges (either electrons or holes) along the planar segments of PPV and to cross the twist between two planar segments perpendicular to each other. Field-dependent charge mobility was also estimated for conjugated segments of various lengths. Our results suggest that electrons can cross the twist between adjacent planar segments for lower applied electric fields than holes if there is no more than one electronic charge (electron or hole) on the PPV chain, otherwise similar fields are needed

  15. The charge form factor of pseudoscalar mesons in a relativistic constituent quark model

    Energy Technology Data Exchange (ETDEWEB)

    Cardarelli, F.; Pace, E. [Univ. of Rome, Roma (Italy); Grach, I.L. [Inst. of Theoretical and Experimental Physics, Moscow (Russian Federation)] [and others

    1994-04-01

    The charge form factor of pseudoscalar mesons has been investigated in the light-cone formalism, up to Q{sup 2} relevant to CEBAF energies. The consequences of adopting the meson wave functions generated through the Godfrey-Isgur q{bar q} potential, which reproduces the mass spectra, are discussed.

  16. Modeling and application of plasma charge current in deep penetration laser welding

    International Nuclear Information System (INIS)

    Zhang, Xudong; Chen, Wuzhu; Jiang, Ping; Guo, Jing; Tian, Zhiling

    2003-01-01

    Plasma charge current distribution during deep penetration CO 2 laser welding was analyzed theoretically and experimentally. The laser-induced plasma above the workpiece surface expands up to the nozzle, driven by the particle concentration gradient, forming an electric potential between the workpiece and the nozzle due to the large difference between the diffusion velocities of the ions and the electrons. The plasma-induced current obtained by electrically connecting the nozzle and the workpiece can be increased by adding a negative external voltage. For a fixed set of welding conditions, the plasma charge current increases with the external voltage to a saturation value. The plasma charge current decreases as the nozzle-to-workpiece distance increases. Therefore, closed-loop control of the nozzle-to-workpiece distance for laser welding can be based on the linear relationship between the plasma charge current and the distance. In addition, the amount of plasma above the keyhole can be reduced by a transverse magnetic field, which reduces the attenuation of the incident laser power by the plasma so as to increase the laser welding thermal efficiency

  17. Conical Intersections, charge localization, and photoisomerization pathway selection in a minimal model of a degenerate monomethine dye

    International Nuclear Information System (INIS)

    Olsen, Seth; McKenzie, Ross H.

    2009-01-01

    We propose a minimal model Hamiltonian for the electronic structure of a monomethine dye, in order to describe the photoisomerization of such dyes. The model describes interactions between three diabatic electronic states, each of which can be associated with a valence bond structure. Monomethine dyes are characterized by a charge-transfer resonance; the indeterminacy of the single-double bonding structure dictated by the resonance is reflected in a duality of photoisomerization pathways corresponding to the different methine bonds. The possible multiplicity of decay channels complicates mechanistic models of the effect of the environment on fluorescent quantum yields, as well as coherent control strategies. We examine the extent and topology of intersection seams between the electronic states of the dye and how they relate to charge localization and selection between different decay pathways. We find that intersections between the S 1 and S 0 surfaces only occur for large twist angles. In contrast, S 2 /S 1 intersections can occur near the Franck-Condon region. When the molecule has left-right symmetry, all intersections are associated with con- or disrotations and never with single bond twists. For asymmetric molecules (i.e., where the bridge couples more strongly to one end) the S 2 and S 1 surfaces bias torsion about different bonds. Charge localization and torsion pathway biasing are correlated. We relate our observations with several recent experimental and theoretical results, which have been obtained for dyes with similar structure.

  18. A model for the chain-to-plane charge transfer in YBa2Cu3O6+x

    International Nuclear Information System (INIS)

    Matic, V. M.; Lazarov, N. Dj.; Milic, M.

    2012-01-01

    A model for the chain-to-plane charge transfer is proposed to account for the two plateaus, at 60 K and at 90 K, of the T c (x) characteristics of the YBa 2 Cu 3 O 6+x high-T c superconductor. It is assumed that the number of holes transferred from a CuO chain of length l to two nearby CuO 2 sheets is proportional to l (that is, to the number of oxygen atoms in the chain), if the chain length is greater than, or equal to, a certain critical chain length, l cr , that is required to trigger the charge transfer process. No holes are assumed to have been transferred from chains of length l cr . The calculated T c (x) dependence is found to be in excellent agreement with the experimentally reported T c (x). The critical chain length parameter is estimated to be equal to l cr = 11 (eleven oxygen atoms in a chain), which is a greater value than that obtained in the previously proposed model for the chain-to-plane charge transfer (l cr = 4). The results obtained out of the proposed model are briefly discussed

  19. Charge imbalance

    International Nuclear Information System (INIS)

    Clarke, J.

    1981-01-01

    This article provides a long theoretical development of the main ideas of charge imbalance in superconductors. Concepts of charge imbalance and quasiparticle charge are introduced, especially in regards to the use of tunnel injection in producing and detecting charge imbalance. Various mechanisms of charge relaxation are discussed, including inelastic scattering processes, elastic scattering in the presence of energy-gap anisotropy, and various pair-breaking mechanisms. In each case, present theories are reviewed in comparison with experimental data

  20. Modelling charge transport of discotic liquid-crystalline triindoles: the role of peripheral substitution.

    Science.gov (United States)

    Volpi, Riccardo; Camilo, Ana Claudia Santos; Filho, Demetrio A da Silva; Navarrete, Juan T López; Gómez-Lor, Berta; Delgado, M Carmen Ruiz; Linares, Mathieu

    2017-09-13

    We have performed a multiscale approach to study the influence of peripheral substitution in the semiconducting properties of discotic liquid-crystalline triindoles. Charge carrier mobility as high as 1.4 cm 2 V -1 s -1 was experimentally reported for triindoles substituted with alkynyl chains on the periphery (Gómez-Lor et al. Angew. Chem., Int. Ed., 2011, 50, 7399-7402). In this work, our goal is to get a deeper understanding of both the molecular electronic structure and microscopic factors affecting the charge transport properties in triindoles as a function of the spacer group connecting the central cores with the external alkyl chains (i.e., alkyne or phenyl spacers groups). To this end, we first perform Quantum Mechanical (QM) calculations to assess how the peripheral substitution affects the electronic structure and the internal reorganization energy. Secondly, boxes of stacked molecules were built and relaxed through molecular dynamics to obtain realistic structures. Conformational analysis and calculations of transfer integrals for closed neighbours were performed. Our results show that the insertion of ethynyl spacers between the central aromatic core and the flexible peripheral chains results in lower reorganization energies and enhanced intermolecular order within the stacks with a preferred cofacial 60° staggered conformation, which would result in high charge-carrier mobilities in good agreement with the experimental data. This work allows a deeper understanding of charge carrier mobility in columnar phases, linking the structural order at the molecular level to the property of interest, i.e. the charge carrier mobility. We hope that this understanding will improve the design of systems at the supramolecular level aiming at obtaining a more defined conducting channel, higher mobility and smaller fluctuations within the column.

  1. Quasi-integrable non-linear Schrödinger models, infinite towers of exactly conserved charges and bright solitons

    Science.gov (United States)

    Blas, H.; do Bonfim, A. C. R.; Vilela, A. M.

    2017-05-01

    Deformations of the focusing non-linear Schrödinger model (NLS) are considered in the context of the quasi-integrability concept. We strengthen the results of JHEP 09 (2012) 103 10.1007/JHEP06(2015)177" TargetType="URL"/> for bright soliton collisions. We addressed the focusing NLS as a complement to the one in JHEP 03 (2016) 005 10.1007/JHEP06(2015)177" TargetType="URL"/> , in which the modified defocusing NLS models with dark solitons were shown to exhibit an infinite tower of exactly conserved charges. We show, by means of analytical and numerical methods, that for certain two-bright-soliton solutions, in which the modulus and phase of the complex modified NLS field exhibit even parities under a space-reflection symmetry, the first four and the sequence of even order charges are exactly conserved during the scattering process of the solitons. We perform extensive numerical simulations and consider the bright solitons with deformed potential V=2η /2+\\upepsilon{({|ψ |}^2)}^{2+\\upepsilon},\\upepsilon \\in \\mathbb{R},η <0 . However, for two-soliton field components without definite parity we also show numerically the vanishing of the first non-trivial anomaly and the exact conservation of the relevant charge. So, the parity symmetry seems to be a sufficient but not a necessary condition for the existence of the infinite tower of conserved charges. The model supports elastic scattering of solitons for a wide range of values of the amplitudes and velocities and the set { η, ɛ}. Since the NLS equation is ubiquitous, our results may find potential applications in several areas of non-linear science.

  2. Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

    Science.gov (United States)

    Belkić, Dževad

    1999-06-01

    Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/ dΩ for the basic charge exchange process H ++H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Pad

  3. Critical validity assessment of theoretical models: charge-exchange at intermediate and high energies

    International Nuclear Information System (INIS)

    Belkic, Dzevad

    1999-01-01

    Exact comprehensive computations are carried out by means of four leading second-order approximations yielding differential cross sections dQ/dΩ for the basic charge exchange process H + +H(1s)→H(1s)+H + at intermediate and high energies. The obtained extensive set of results is thoroughly tested against all the existing experimental data with the purpose of critically assessing the validity of the boundary corrected second-Born (CB2), continuum-distorted wave (CDW), impulse approximation (IA) and the reformulated impulse approximation (RIA). The conclusion which emerges from this comparative study clearly indicates that the RIA agrees most favorably with the measurements available over a large energy range 25 keV-5 MeV. Such a finding reaffirms the few-particle quantum scattering theory which imposes several strict conditions on adequate second-order methods. These requirements satisfied by the RIA are: (i) normalisations of all the scattering wave functions, (ii) correct boundary conditions in both entrance and exit channels, (iii) introduction of a mathematically justified two-center continuum state for the sum of an attractive and a repulsive Coulomb potential with the same interaction strength, (iv) inclusion of the multiple scattering effects neglected in the IA, (v) a proper description of the Thomas double scattering in good agreement with the experiments and without any unobserved peak splittings. Nevertheless, the performed comparative analysis of the above four approximations indicates that none of the methods is free from some basic shortcomings. Despite its success, the RIA remains essentially a high-energy model like the other three methods under study. More importantly, their perturbative character leaves virtually no room for further systematic improvements, since the neglected higher-order terms are prohibitively tedious for practical purposes and have never been computed exactly. To bridge this gap, we presently introduce the variational Pade

  4. A combination Kalman filter approach for State of Charge estimation of lithium-ion battery considering model uncertainty

    International Nuclear Information System (INIS)

    Li, Yanwen; Wang, Chao; Gong, Jinfeng

    2016-01-01

    An accurate battery State of Charge estimation plays an important role in battery electric vehicles. This paper makes two contributions to the existing literature. (1) A recursive least squares method with fuzzy adaptive forgetting factor has been presented to update the model parameters close to the real value more quickly. (2) The statistical information of the innovation sequence obeying chi-square distribution has been introduced to identify model uncertainty, and a novel combination algorithm of strong tracking unscented Kalman filter and adaptive unscented Kalman filter has been developed to estimate SOC (State of Charge). Experimental results indicate that the novel algorithm has a good performance in estimating the battery SOC against initial SOC errors and voltage sensor drift. A comparison with the unscented Kalman filter-based algorithms and adaptive unscented Kalman filter-based algorithms shows that the proposed SOC estimation method has better accuracy, robustness and convergence behavior. - Highlights: • Recursive least squares method with fuzzy adaptive forgetting factor is presented. • The innovation obeying chi-square distribution is used to identify uncertainty. • A combination Karman filter approach for State of Charge estimation is presented. • The performance of the proposed method is verified by comparison results.

  5. Analytical charge control model for AlGaN/GaN MIS-HFETs including an undepleted barrier layer

    Energy Technology Data Exchange (ETDEWEB)

    Shenghui, Lu; Jiangfeng, Du; Qian, Luo; Qi, Yu; Wei, Zhou; Jianxin, Xia; Mohua, Yang, E-mail: lushenghui@sohu.co [State key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Science and Technology of China, Chengdu 610054 (China)

    2010-09-15

    An analytical charge control model considering the insulator/AlGaN interface charge and undepleted Al-GaN barrier layer is presented for AlGaN/GaN metal-insulator-semiconductor heterostructure field effect transistors (MIS-HFETs) over the entire operation range of gate voltage. The whole process of charge control is analyzed in detail and partitioned into four regions: I-full depletion, II-partial depletion, III-neutral region and IV-electron accumulation at the insulator/AlGaN interface. The results show that two-dimensional electron gas (2DEG) saturates at the boundary of region II/III and the gate voltage should not exceed the 2DEG saturation voltage in order to keep the channel in control. In addition, the span of region II accounts for about 50% of the range of gate voltage before 2DEG saturates. The good agreement of the calculated transfer characteristic with the measured data confirms the validity of the proposed model. (semiconductor devices)

  6. Kondo lattice model: Unitary transformations, spin dynamics, strongly correlated charged modes, and vacuum instability

    OpenAIRE

    Prats, J. M.; Lopez-Aguilar, F.

    1996-01-01

    Using unitary transformations, we express the Kondo lattice Hamiltonian in terms of fermionic operators that annihilate the ground state of the interacting system and that represent the best possible approximations to the actual charged excitations. In this way, we obtain an effective Hamiltonian which, for small couplings, consists in a kinetic term for conduction electrons and holes, an RKKY-like term, and a renormalized Kondo interaction. The physical picture of the system implied by this ...

  7. Modeling two-phase flow in barrels of weapons with combined charges

    Directory of Open Access Journals (Sweden)

    Nebojša P. Hristov

    2011-10-01

    Full Text Available The processes occurring during the firing within barrels of weapons with combined charges are described aiming at the improvement of fire power of existing weapons and the design of new ones. The firing process simulation enables the optimization of gunpowders. The analysis of the obtained results helps in choosing the best combination of input-output parameters for the highest muzzle velocity possible while keeping powder gas maximum pressures inside the barrel at the lowest possible level.

  8. Form factors and charge radii in a quantum chromodynamics-inspired potential model using variationally improved perturbation theory

    International Nuclear Information System (INIS)

    Hazarika, Bhaskar Jyoti; Choudhury, D.K.

    2015-01-01

    We use variationally improved perturbation theory (VIPT) for calculating the elastic form factors and charge radii of D, D s , B, B s and B c mesons in a quantum chromodynamics (QCD)-inspired potential model. For that, we use linear-cum-Coulombic potential and opt the Coulombic part first as parent and then the linear part as parent. The results show that charge radii and form factors are quite small for the Coulombic parent compared to the linear parent. Also, the analysis leads to a lower as well as upper bounds on the four-momentum transfer Q 2 , hinting at a workable range of Q 2 within this approach, which may be useful in future experimental analyses. Comparison of both the options shows that the linear parent is the better option. (author)

  9. Composite space charge density functions for the calculation of gamma sensitivity of self-powered neutron detectors, using Warren's model

    Science.gov (United States)

    Mahant, A. K.; Rao, P. S.; Misra, S. C.

    1994-07-01

    In the calculational model developed by Warren and Shah for the computation of the gamma sensitivity ( Sγ) it has been observed that the computed Sγ value is quite sensitive to the space charge distribution function assumed for the insulator region and the energy of the gamma photons. The Sγ of SPNDs with Pt, Co and V emitters (manufactured by Thermocoax, France) has been measured at 60Co photon energy and a good correlation between the measured and computed values has been obtained using a composite space charge density function (CSCD), the details of which are presented in this paper. The arguments are extended for evaluating the Sγ values of several SPNDs for which Warren and Shah reported the measured values for a prompt fission gamma spectrum obtained in a swimming pool reactor. These results are also discussed.

  10. Flavor structure of the nucleon electromagnetic form factors and transverse charge densities in the chiral quark-soliton model

    Science.gov (United States)

    Silva, António; Urbano, Diana; Kim, Hyun-Chul

    2018-02-01

    We investigate the flavor decomposition of the electromagnetic form factors of the nucleon, based on the chiral quark-soliton model (χQSM) with symmetry-conserving quantization. We consider the rotational 1/N_c and linear strange-quark mass (ms) corrections. We discuss the results of the flavor-decomposed electromagnetic form factors in comparison with the recent experimental data. In order to see the effects of the strange quark, we compare the SU(3) results with those of SU(2). Finally, we discuss the transverse charge densities for both unpolarized and polarized nucleons. The transverse charge density inside a neutron turns out to be negative in the vicinity of the center within the SU(3) χQSM, which can be explained by the contribution of the strange quark.

  11. Charge transfer in astrophysical nebulae

    International Nuclear Information System (INIS)

    Shields, G.A.

    1990-01-01

    Charge transfer has become a standard ingredient in models of ionized nebulae, supernovae remnants and active galactic nuclei. Charge transfer rate coefficients and the physics of ionized nebulae are considered. Charge transfer is applied to the ionization structure and line emission of ionized nebulae. Photoionized nebulae observations are used to test theoretical predictions of charge transfer rates. (author)

  12. Optimal III-nitride HEMTs: from materials and device design to compact model of the 2DEG charge density

    Science.gov (United States)

    Li, Kexin; Rakheja, Shaloo

    2017-02-01

    In this paper, we develop a physically motivated compact model of the charge-voltage (Q-V) characteristics in various III-nitride high-electron mobility transistors (HEMTs) operating under highly non-equilibrium transport conditions, i.e. high drain-source current. By solving the coupled Schrödinger-Poisson equation and incorporating the two-dimensional electrostatics in the channel, we obtain the charge at the top-of-the-barrier for various applied terminal voltages. The Q-V model accounts for cutting off of the negative momenta states from the drain terminal under high drain-source bias and when the transmission in the channel is quasi-ballistic. We specifically focus on AlGaN and AlInN as barrier materials and InGaN and GaN as the channel material in the heterostructure. The Q-V model is verified and calibrated against numerical results using the commercial TCAD simulator Sentaurus from Synopsys for a 20-nm channel length III-nitride HEMT. With 10 fitting parameters, most of which have a physical origin and can easily be obtained from numerical or experimental calibration, the compact Q-V model allows us to study the limits and opportunities of III-nitride technology. We also identify optimal material and geometrical parameters of the device that maximize the carrier concentration in the HEMT channel in order to achieve superior RF performance. Additionally, the compact charge model can be easily integrated in a hierarchical circuit simulator, such as Keysight ADS and CADENCE, to facilitate circuit design and optimization of various technology parameters.

  13. Analysis of a Mathematical Model of Lithium-Sulfur Cells Part III: Electrochemical Reaction Kinetics, Transport Properties and Charging

    International Nuclear Information System (INIS)

    Ghaznavi, Mahmoudreza; Chen, P.

    2014-01-01

    Highlights: • The discharge behavior of Li-S cells in wide range of exchange current densities of electrochemical reactions is studied. • Among all reduction reactions, 1/2 S 8(l) +e − ⇌1/2 S 8 2− and 1/2 S 2 2− +e − ⇌2S 2− play the most important role in capacity performance. • Low diffusion increases the precipitation of polysulfides in separator which may block the anode surface. • Large solubility of Li 2 S is needed for the model to be able to simulate the charging process. - Abstract: Sensitivity analysis of a mathematical model of a lithium-sulfur (Li-S) battery was performed by investigating the response of the model to variation of the exchange current densities, diffusion coefficients, and cathode thickness over a wide range; the results of the analysis were used to explain the some aspects of the behavior of the system which may be seen in experiments. In particular, among all the exchange current densities, the exchange current density of the elemental sulfur reduction has the most significant effect on the discharge capacity of the cell. The variation of the diffusion coefficients was also analyzed, providing information on the non-uniformity of precipitants in the cell after discharge. An optimum cathode thickness was presented to gain the highest capacity of the cell. Finally, the simulation of charging was studied, showing that the model needs a large solubility product of di-lithium sulfide to be able to simulate the charge process of a cell

  14. Equivalent circuit model parameters of a high-power Li-ion battery: Thermal and state of charge effects

    Science.gov (United States)

    Gomez, Jamie; Nelson, Ruben; Kalu, Egwu E.; Weatherspoon, Mark H.; Zheng, Jim P.

    2011-05-01

    Equivalent circuit model (EMC) of a high-power Li-ion battery that accounts for both temperature and state of charge (SOC) effects known to influence battery performance is presented. Electrochemical impedance measurements of a commercial high power Li-ion battery obtained in the temperature range 20 to 50 °C at various SOC values was used to develop a simple EMC which was used in combination with a non-linear least squares fitting procedure that used thirteen parameters for the analysis of the Li-ion cell. The experimental results show that the solution and charge transfer resistances decreased with increase in cell operating temperature and decreasing SOC. On the other hand, the Warburg admittance increased with increasing temperature and decreasing SOC. The developed model correlations that are capable of being used in process control algorithms are presented for the observed impedance behavior with respect to temperature and SOC effects. The predicted model parameters for the impedance elements Rs, Rct and Y013 show low variance of 5% when compared to the experimental data and therefore indicates a good statistical agreement of correlation model to the actual experimental values.

  15. Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches.

    Science.gov (United States)

    Bal, Kristof M; Neyts, Erik C

    2018-03-28

    A number of recent computational material design studies based on density functional theory (DFT) calculations have put forward a new class of materials with electrically switchable chemical characteristics that can be exploited in the development of tunable gas storage and electrocatalytic applications. We find systematic flaws in almost every computational study of gas adsorption on polarized or charged surfaces, stemming from an improper and unreproducible treatment of periodicity, leading to very large errors of up to 3 eV in some cases. Two simple corrective procedures that lead to consistent results are proposed, constituting a crucial course correction to the research in the field.

  16. Modelling of charge carrier transport in conjugated polymers doped by polar additives

    Czech Academy of Sciences Publication Activity Database

    Toman, Petr; Nešpůrek, Stanislav; Bartkowiak, W.

    2009-01-01

    Roč. 27, č. 3 (2009), s. 797-812 ISSN 0137-1339. [International Conference on Electrical and Related Properties of Organic Solids /11./. Piechowice, 13.07.2008-17.07.2008] R&D Projects: GA ČR GA203/06/0285; GA AV ČR KAN400720701; GA MŠk MEB050815 Institutional research plan: CEZ:AV0Z40500505 Keywords : conjugated polymers * charge carrier transport * molecular electronics Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.384, year: 2009

  17. Increased-accuracy numerical modeling of electron-optical systems with space-charge

    International Nuclear Information System (INIS)

    Sveshnikov, V.

    2011-01-01

    This paper presents a method for improving the accuracy of space-charge computation for electron-optical systems. The method proposes to divide the computational region into two parts: a near-cathode region in which analytical solutions are used and a basic one in which numerical methods compute the field distribution and trace electron ray paths. A numerical method is used for calculating the potential along the interface, which involves solving a non-linear equation. Preliminary results illustrating the improvement of accuracy and the convergence of the method for a simple test example are presented.

  18. Model experiments on direct conversion of charged particle energy for open-type reactors

    International Nuclear Information System (INIS)

    Dimitrov, S.K.; Makhin, A.V.; Mikhin, S.G.

    1984-01-01

    The energy recuperation of non monoenergetic charged particle flux ranning out from open-type magnetic mirror trap by particles braking in an electric field has been investigated. For more complex energy electron taking off adiabatic beam expansion in a dropping magnetic field after the trap has been realized. The recuperation system has been located in the mirror face part and consisted of electron collector, input diaphragm and antidinatron electrode. By calculation data based on measurements, the efficiency of real one-coelector energy convertor of ionic flows is to constitute 40-50%

  19. Fokker-Planck Modelling of Delayed Loss of Charged Fusion Products in TFTR

    International Nuclear Information System (INIS)

    Edenstrasser, J.W.; Goloborod'ko, V.Ya.; Reznik, S.N.; Yavorskij, V.A.; Zweben, S.

    1998-01-01

    The results of a Fokker-Planck simulation of the ripple-induced loss of charged fusion products in the Tokamak Fusion Test Reactor (TFTR) are presented. It is shown that the main features of the measured ''delayed loss'' of partially thermalized fusion products, such as the differences between deuterium-deuterium and deuterium-tritium discharges, the plasma current and major radius dependencies, etc., are in satisfactory agreement with the classical collisional ripple transport mechanism. The inclusion of the inward shift of the vacuum flux surfaces turns out to be necessary for an adequate and consistent explanation of the origin of the partially thermalized fusion product loss to the bottom of TFTR

  20. Modelling of charge carrier mobility for transport between elastic polyacetylene-like polymer nanorods

    Czech Academy of Sciences Publication Activity Database

    Menšík, Miroslav; Sun, S. J.; Toman, Petr; Král, Karel

    2017-01-01

    Roč. 61, č. 2 (2017), s. 127-135 ISSN 0862-5468 R&D Projects: GA MŠk(CZ) LD14011; GA ČR(CZ) GA15-05095S Grant - others:European Commission(XE) COST Action MP1202 HINT; AV ČR(CZ) KONNECT-007 Program:Bilaterální spolupráce Institutional support: RVO:61389013 ; RVO:68378271 Keywords : charge carrier mobility * polymers * electron-phonon coupling Subject RIV: CF - Physical ; Theoretical Chemistry; CF - Physical ; Theoretical Chemistry (FZU-D) OBOR OECD: Physical chemistry; Physical chemistry (FZU-D) Impact factor: 0.439, year: 2016

  1. The influence of the charge-exchange reactions of carbon in the photoionization models for spectrum-line emitting region in the quasi-stellar objects

    International Nuclear Information System (INIS)

    Souza Pellegrini, P.S. de.

    1976-08-01

    The charge exchange reactions: C +2 + H sub(e) 0 → H +1 + C +1 and C +2 + H 0 → H +1 + C +1 were taken into account in the ionization equilibrium of Carbon in photoionization models for line emitting regions of quasi-stellar objects. The new ionization structure of Carbon was obtained and the intensities of the most important emission lines of this element usually observed in QSO's with large redshifts were calculated. The charge exchange with Hidrogen produces negligible effects while the importance of taking into account the charge exchange with Helium can be seen from the change of the ionization structure of Carbon in all considered models. The homogeneous optically thin model is shown not to be consistent with the observations. For non homogeneous optically thick models observable changes in line intensities occur when in the region where charge exhange is dominant the electron density is high enough to produce collisional excitation and consequent line emission. (Author)

  2. Fractional charges

    International Nuclear Information System (INIS)

    Saminadayar, L.

    2001-01-01

    20 years ago fractional charges were imagined to explain values of conductivity in some materials. Recent experiments have proved the existence of charges whose value is the third of the electron charge. This article presents the experimental facts that have led theorists to predict the existence of fractional charges from the motion of quasi-particles in a linear chain of poly-acetylene to the quantum Hall effect. According to the latest theories, fractional charges are neither bosons nor fermions but anyons, they are submitted to an exclusive principle that is less stringent than that for fermions. (A.C.)

  3. Modelling and design of high compression electron guns for EBIS/T charge breeders

    CERN Document Server

    AUTHOR|(CDS)2087190; Zschornack, G.; Lettry, J.; Wenander, F.

    In this thesis the optimization of the REXEBIS charge breeder at the ISOLDE facility is presented. REXEBIS in its current state provides a current density of 200A/cm² inside the trapping region at 2 T and will be optimized to the physical limit of its design. To overcome this limit a new electron gun, the HEC² gun, was designed in collaboration with the BNL and is in commission at TestEBIS. This electron gun promises a current density of >10 kA/cm², which decreases the charge breeding time significantly. This thesis presents novel simulation techniques supporting the commissioning phase by explaining the sources of occurring loss current and, in addition, evaluate the currently installed collector for compatibility with the HEC2 gun operating at its design limit. The experience gained from the commission of the HEC² gun and the established numerical techniques lead to the development of a smaller high-compression electron gun for medical purposes, the MEDeGUN. This electron gun should provide a high-quali...

  4. Charged particle motion in a time-dependent flux-driven ring: an exactly solvable model

    International Nuclear Information System (INIS)

    Luan, P-G; Tang, C-S

    2007-01-01

    We consider a charged particle driven by a time-dependent flux threading a quantum ring. The dynamics of the charged particle is investigated using a classical treatment, a Fourier expansion technique, a time-evolution method, and the Lewis-Riesenfeld approach. We have shown that, by properly managing the boundary conditions, a time-dependent wavefunction can be obtained using a general non-Hermitian time-dependent invariant, which is a specific linear combination of initial angular-momentum and azimuthal-angle operators. It is shown that the linear invariant eigenfunction can be realized as a Gaussian-type wavepacket with a peak moving along the classical angular trajectory, while the distribution of the wavepacket is determined by the ratio of the coefficient of the initial angle to that of the initial canonical angular momentum. From the topologically nontrivial nature as well as the classical trajectory and angular momentum, one can determine the dynamical motion of the wavepacket. It should be noted that the peak position is no longer an expectation value of the angle operator, and hence the Ehrenfest theorem is not directly applicable in such a topologically nontrivial system

  5. Quantum-Size Dependence of the Energy for Vacancy Formation in Charged Small Metal Clusters. Drop Model

    Science.gov (United States)

    Pogosov, V. V.; Reva, V. I.

    2018-04-01

    Self-consistent computations of the monovacancy formation energy are performed for Na N , Mg N , and Al N (12 < N ≤ 168) spherical clusters in the drop model for stable jelly. Scenarios of the Schottky vacancy formation and "bubble vacancy blowing" are considered. It is shown that the asymptotic behavior of the size dependences of the energy for the vacancy formation by these two mechanisms is different and the difference between the characteristics of a charged and neutral cluster is entirely determined by the difference between the ionization potentials of clusters and the energies of electron attachment to them.

  6. 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...

  7. The motion of color-charged particles as a means of testing the non-Abelian dark matter model

    OpenAIRE

    Dzhunushaliev, V.; Folomeev, V.; Protsenko, N.

    2018-01-01

    A possibility is discussed for experimental testing of the dark matter model supported by a classic non-Abelian SU(3) gauge (Yang-Mills) field. Our approach is based on the analysis of the motion of color-charged particles on the background of color electric and magnetic fields using the Wong equations. Estimating the magnitudes of the color fields near the edge of a galaxy, we employ them in obtaining the general analytic solutions to the Wong equations. Using the latter, we calculate the ma...

  8. Cell adhesion and spreading at a charged interface: Insight into the mechanism using surface techniques and mathematical modelling

    International Nuclear Information System (INIS)

    DeNardis, Nadica Ivošević; Ilić, Jadranka Pečar; Ružić, Ivica; Pletikapić, Galja

    2015-01-01

    Highlights: • Kinetics of adhesion and spreading of the algal cell at a charged interface is explored. • Amperometric signals are analyzed using extended methodology and the reaction kinetics model. • The model reconstructs and quantifies individual states of the three-step adhesion process. • Adhesion kinetics of the algal cell is slower than that of its plasma membrane vesicle. • Slow spreading of organic film at the interface could be due to the attenuated effect of the potential. - Abstract: We study the kinetics of adhesion and spreading of an algal cell and its plasma membrane vesicle at the charged interface. A simple system of an isolated plasma membrane vesicle without internal content has been developed and characterized by atomic force microscopy (AFM). We extend the methodology based on the reaction kinetics model and empirical fitting for the analysis of amperometric signals, and demonstrate its validity and pertinence in a wide range of surface charge densities. Adhesion kinetics of the algal cell is slower than that of its plasma membrane vesicle. Isolated plasma membrane contributes about one quarter to the cell contact area. The model reconstructs and quantifies individual states of the three-step adhesion process of the algal cell and makes it possible to associate them with various features of amperometric signal. At the time of current amplitude, the ruptured state predominates and the cell spread contact area is larger than its initial area as well as the contact area of the plasma membrane vesicle. These results suggest that a major structural disruption of the cell membrane, collapse of cytoskeleton and leakage of intracellular material could appear close to the time of current amplitude. Further, slow kinetics of the organic film spreading at the interface to its maximal extent is considered as the rate determining step, which could be a consequence of the attenuated effect of potential at the modified interface, stronger

  9. Evaluation of the density of the charge trapped in organic ferroelectric capacitors based on the Mott-Schottky model

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Won-Ho [Samsung Display Co. Ltd., Yongin (Korea, Republic of); Kwon, Jin-Hyuk; Park, Gyeong-Tae; Kim, Jae-Hyun; Bae, Jin-Hyuk [Kyungpook National University, Daegu (Korea, Republic of); Zhang, Xue; Park, Jae-Hoon [Hallym University, Chuncheon (Korea, Republic of)

    2014-09-15

    Organic ferroelectric capacitors were fabricated using pentacene and poly (vinylidene fluoride trifluoroethylene) (PVDF-TrFE) as an organic semiconductor and a ferroelectric material, respectively. A paraelectric poly(vinyl cinnamate) layer was adopted as an interlayer between the PVDFTrFE layer and the bottom electrode. The paraelectric interlayer induced a depolarization field opposite to the direction of the polarization formed in the ferroelectric PVDF-TrFE insulator, thereby suppressing spontaneous polarization. As a result, the Mott-Schottky model could be used to evaluate, from the extracted flat-band voltages, the density of the charge trapped in the organic ferroelectric capacitors.

  10. A novel Gaussian process regression model for state-of-health estimation of lithium-ion battery using charging curve

    Science.gov (United States)

    Yang, Duo; Zhang, Xu; Pan, Rui; Wang, Yujie; Chen, Zonghai

    2018-04-01

    The state-of-health (SOH) estimation is always a crucial issue for lithium-ion batteries. In order to provide an accurate and reliable SOH estimation, a novel Gaussian process regression (GPR) model based on charging curve is proposed in this paper. Different from other researches where SOH is commonly estimated by cycle life, in this work four specific parameters extracted from charging curves are used as inputs of the GPR model instead of cycle numbers. These parameters can reflect the battery aging phenomenon from different angles. The grey relational analysis method is applied to analyze the relational grade between selected features and SOH. On the other hand, some adjustments are made in the proposed GPR model. Covariance function design and the similarity measurement of input variables are modified so as to improve the SOH estimate accuracy and adapt to the case of multidimensional input. Several aging data from NASA data repository are used for demonstrating the estimation effect by the proposed method. Results show that the proposed method has high SOH estimation accuracy. Besides, a battery with dynamic discharging profile is used to verify the robustness and reliability of this method.

  11. Enhanced online model identification and state of charge estimation for lithium-ion battery with a FBCRLS based observer

    International Nuclear Information System (INIS)

    Wei, Zhongbao; Meng, Shujuan; Xiong, Binyu; Ji, Dongxu; Tseng, King Jet

    2016-01-01

    Highlights: • Integrated online model identification and SOC estimate is explored. • Noise variances are online estimated in a data-driven way. • Identification bias caused by noise corruption is attenuated. • SOC is online estimated with high accuracy and fast convergence. • Algorithm comparison shows the superiority of proposed method. - Abstract: State of charge (SOC) estimators with online identified battery model have proven to have high accuracy and better robustness due to the timely adaption of time varying model parameters. In this paper, we show that the common methods for model identification are intrinsically biased if both the current and voltage sensors are corrupted with noises. The uncertainties in battery model further degrade the accuracy and robustness of SOC estimate. To address this problem, this paper proposes a novel technique which integrates the Frisch scheme based bias compensating recursive least squares (FBCRLS) with a SOC observer for enhanced model identification and SOC estimate. The proposed method online estimates the noise statistics and compensates the noise effect so that the model parameters can be extracted without bias. The SOC is further estimated in real time with the online updated and unbiased battery model. Simulation and experimental studies show that the proposed FBCRLS based observer effectively attenuates the bias on model identification caused by noise contamination and as a consequence provides more reliable estimate on SOC. The proposed method is also compared with other existing methods to highlight its superiority in terms of accuracy and convergence speed.

  12. Synthesis, growth, structural modeling and physio-chemical properties of a charge transfer molecule: Guanidinium tosylate

    Science.gov (United States)

    Era, Paavai; Jauhar, RO. MU.; Vinitha, G.; Murugakoothan, P.

    2018-05-01

    An organic nonlinear optical material, guanidinium tosylate was synthesized adopting slow evaporation method and the crystals were harvested from aqueous methanolic medium with dimensions 13 × 9 × 3 mm3. Constitution of crystalline material was confirmed by single crystal X-ray diffraction study. The title compound crystallizes in the monoclinic crystal system with space group P21/c. The UV-vis-NIR spectral study of the grown crystal exhibits high transparency of 80% in the entire visible region with lower cut-off wavelength at 282 nm. Optimized molecular geometry of the grown crystal was obtained using density functional theory (DFT) and the frontier energy gaps calculated from the DFT aids to understand the charge transfer taking place in the molecule. The dielectric properties were studied as a function of temperature and frequency to find the charge distribution within the crystal. The titular compound is thermally stable up to 230 °C assessed by thermogravimetric and differential thermal analysis. Anisotropy in the mechanical behavior was observed while measuring for individual planes. The laser induced surface damage threshold of the grown crystal was measured to be 0.344 GW/cm2 for 1064 nm Nd:YAG laser radiation. Z-scan technique confirms the third-order nonlinear optical property with the ascertained nonlinear refractive index (n2), nonlinear absorption coefficient (β) and third order nonlinear susceptibility (χ(3)). Optical limiting study divulges that the transmitted output power step-up linearly with the increase of the input power at lower power realms and saturates from the threshold 24.95 mW/cm2 and amplitude 0.23 mW/cm2.

  13. Hydrogen in oxygen-free, phosphorus-doped copper - Charging techniques, hydrogen contents and modelling of hydrogen diffusion and depth profile

    Energy Technology Data Exchange (ETDEWEB)

    Martinsson, Aasa [Swerea KIMAB, Kista (Sweden); Sandstroem, Rolf [Swerea KIMAB, Kista (Sweden); Div. of Materials Science and Engineering, KTH Royal Institute of Technology, Stockholm (Sweden); Lilja, Christina [Swedish Nuclear Fuel and Waste Management Co., Stockholm (Sweden)

    2013-01-15

    In Sweden spent nuclear fuel is planned to be disposed of by encapsulating in cast iron inserts protected by a copper shell. The copper can be exposed to hydrogen released during corrosion processes in the inserts. If the hydrogen is taken up by the copper, it could lead to hydrogen embrittlement. Specimens from oxygen-free copper have been hydrogen charged using two different methods. The purpose was to investigate how hydrogen could be introduced into copper in a controlled way. The thermal charging method resulted in a reduction of the initial hydrogen content. After electrochemical charging of cylindrical specimens, the measured hydrogen content was 2.6 wt. ppm which should compared with 0.6 wt. ppm before charging. The retained hydrogen after two weeks was reduced by nearly 40%. Recently the paper 'Hydrogen depth profile in phosphorus-doped, oxygen-free copper after cathodic charging' (Martinsson and Sandstrom, 2012) has been published. The paper describes experimental results for bulk specimens as well as presenting a model. Almost all the hydrogen is found to be located less than 100 {mu}m from the surface. This model is used to interpret the experimental results on foils in the present report. Since the model is fully based on fundamental equations, it can be used to analyse what happens in new situations. In this report the effect of the charging intensity, the grain size, the critical nucleus size for hydrogen bubble formation as well as the charging time are analysed.

  14. Hydrogen in oxygen-free, phosphorus-doped copper-Charging techniques, hydrogen contents and modelling of hydrogen diffusion and depth profile

    International Nuclear Information System (INIS)

    Martinsson, Aasa; Sandstroem, Rolf; Lilja, Christina

    2013-01-01

    In Sweden spent nuclear fuel is planned to be disposed of by encapsulating in cast iron inserts protected by a copper shell. The copper can be exposed to hydrogen released during corrosion processes in the inserts. If the hydrogen is taken up by the copper, it could lead to hydrogen embrittlement. Specimens from oxygen-free copper have been hydrogen charged using two different methods. The purpose was to investigate how hydrogen could be introduced into copper in a controlled way. The thermal charging method resulted in a reduction of the initial hydrogen content. After electrochemical charging of cylindrical specimens, the measured hydrogen content was 2.6 wt. ppm which should compared with 0.6 wt. ppm before charging. The retained hydrogen after two weeks was reduced by nearly 40%. Recently the paper 'Hydrogen depth profile in phosphorus-doped, oxygen-free copper after cathodic charging' (Martinsson and Sandstrom, 2012) has been published. The paper describes experimental results for bulk specimens as well as presenting a model. Almost all the hydrogen is found to be located less than 100 μm from the surface. This model is used to interpret the experimental results on foils in the present report. Since the model is fully based on fundamental equations, it can be used to analyse what happens in new situations. In this report the effect of the charging intensity, the grain size, the critical nucleus size for hydrogen bubble formation as well as the charging time are analysed

  15. A multi-timescale estimator for battery state of charge and capacity dual estimation based on an online identified model

    International Nuclear Information System (INIS)

    Wei, Zhongbao; Zhao, Jiyun; Ji, Dongxu; Tseng, King Jet

    2017-01-01

    Highlights: •SOC and capacity are dually estimated with online adapted battery model. •Model identification and state dual estimate are fully decoupled. •Multiple timescales are used to improve estimation accuracy and stability. •The proposed method is verified with lab-scale experiments. •The proposed method is applicable to different battery chemistries. -- Abstract: Reliable online estimation of state of charge (SOC) and capacity is critically important for the battery management system (BMS). This paper presents a multi-timescale method for dual estimation of SOC and capacity with an online identified battery model. The model parameter estimator and the dual estimator are fully decoupled and executed with different timescales to improve the model accuracy and stability. Specifically, the model parameters are online adapted with the vector-type recursive least squares (VRLS) to address the different variation rates of them. Based on the online adapted battery model, the Kalman filter (KF)-based SOC estimator and RLS-based capacity estimator are formulated and integrated in the form of dual estimation. Experimental results suggest that the proposed method estimates the model parameters, SOC, and capacity in real time with fast convergence and high accuracy. Experiments on both lithium-ion battery and vanadium redox flow battery (VRB) verify the generality of the proposed method on multiple battery chemistries. The proposed method is also compared with other existing methods on the computational cost to reveal its superiority for practical application.

  16. Modelling and Fixed Step Simulation of a Turbo Charged Diesel Engine

    OpenAIRE

    Ritzén, Jesper

    2003-01-01

    Having an engine model that is accurate but not too complicated is desirable when working with on-board diagnosis or engine control. In this thesis a four state mean value model is introduced. To make the model usable in an on-line automotive application it is discrete and simulated with a fixed step size solver. Modelling is done with simplicity as main object. Some simple static models are also presented. To validate the model measuring is carried out in a Scania R124LB truck with a 12 lit...

  17. The spin-charge-family theory offers understanding of the triangle anomalies cancellation in the standard model

    Energy Technology Data Exchange (ETDEWEB)

    Mankoc Borstnik, N.S. [University of Ljubljana (Slovenia); Nielsen, H.B.F. [Niels Bohr Institute, Copenhagen (Denmark)

    2017-12-15

    The standard model has for massless quarks and leptons ''miraculously'' no triangle anomalies due to the fact that the sum of all possible traces T r[τ{sup Ai}τ{sup Bj}τ{sup Ck}] - where τ{sup Ai}, τ{sup Bi} and τ{sup Ck} are the generators of one, of two or of three of the groups SU(3), SU(2) and U(1) - over the representations of one family of the left handed fermions and anti-fermions (and separately of the right handed fermions and anti-fermions), contributing to the triangle currents, is equal to zero.{sup [1-4]} It is demonstrated in this paper that this cancellation of the standard model triangle anomaly follows straightforwardly if the SO(3, 1), SU(2), U(1) and SU(3) are the subgroups of the orthogonal group SO(13, 1), as it is in the spin-charge-family theory.{sup [5-22]} We comment on the SO(10) anomaly cancellation, which works if handedness and charges are related ''by hand''. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. A new expression of Ns versus Ef to an accurate control charge model for AlGaAs/GaAs

    Science.gov (United States)

    Bouneb, I.; Kerrour, F.

    2016-03-01

    Semi-conductor components become the privileged support of information and communication, particularly appreciation to the development of the internet. Today, MOS transistors on silicon dominate largely the semi-conductors market, however the diminution of transistors grid length is not enough to enhance the performances and respect Moore law. Particularly, for broadband telecommunications systems, where faster components are required. For this reason, alternative structures proposed like hetero structures IV-IV or III-V [1] have been.The most effective components in this area (High Electron Mobility Transistor: HEMT) on IIIV substrate. This work investigates an approach for contributing to the development of a numerical model based on physical and numerical modelling of the potential at heterostructure in AlGaAs/GaAs interface. We have developed calculation using projective methods allowed the Hamiltonian integration using Green functions in Schrodinger equation, for a rigorous resolution “self coherent” with Poisson equation. A simple analytical approach for charge-control in quantum well region of an AlGaAs/GaAs HEMT structure was presented. A charge-control equation, accounting for a variable average distance of the 2-DEG from the interface was introduced. Our approach which have aim to obtain ns-Vg characteristics is mainly based on: A new linear expression of Fermi-level variation with two-dimensional electron gas density in high electron mobility and also is mainly based on the notion of effective doping and a new expression of AEc

  19. A forward model for the helium plume effect and the interpretation of helium charge exchange measurements at ASDEX Upgrade

    Science.gov (United States)

    Kappatou, A.; McDermott, R. M.; Pütterich, T.; Dux, R.; Geiger, B.; Jaspers, R. J. E.; Donné, A. J. H.; Viezzer, E.; Cavedon, M.; the ASDEX Upgrade Team

    2018-05-01

    The analysis of the charge exchange measurements of helium is hindered by an additional emission contributing to the spectra, the helium ‘plume’ emission (Fonck et al 1984 Phys. Rev. A 29 3288), which complicates the interpretation of the measurements. The plume emission is indistinguishable from the active charge exchange signal when standard analysis of the spectra is applied and its intensity is of comparable magnitude for ASDEX Upgrade conditions, leading to a significant overestimation of the He2+ densities if not properly treated. Furthermore, the spectral line shape of the plume emission is non-Gaussian and leads to wrong ion temperature and flow measurements when not taken into account. A kinetic model for the helium plume emission has been developed for ASDEX Upgrade. The model is benchmarked against experimental measurements and is shown to capture the underlying physics mechanisms of the plume effect, as it can reproduce the experimental spectra and provides consistent values for the ion temperature, plasma rotation, and He2+ density.

  20. DC Model Cable under Polarity Inversion and Thermal Gradient: Build-Up of Design-Related Space Charge

    Directory of Open Access Journals (Sweden)

    Nugroho Adi

    2017-07-01

    Full Text Available In the field of energy transport, High-Voltage DC (HVDC technologies are booming at present due to the more flexible power converter solutions along with needs to bring electrical energy from distributed production areas to consumption sites and to strengthen large-scale energy networks. These developments go with challenges in qualifying insulating materials embedded in those systems and in the design of insulations relying on stress distribution. Our purpose in this communication is to illustrate how far the field distribution in DC insulation systems can be anticipated based on conductivity data gathered as a function of temperature and electric field. Transient currents and conductivity estimates as a function of temperature and field were recorded on miniaturized HVDC power cables with construction of 1.5 mm thick crosslinked polyethylene (XLPE insulation. Outputs of the conductivity model are compared to measured field distributions using space charge measurements techniques. It is shown that some features of the field distribution on model cables put under thermal gradient can be anticipated based on conductivity data. However, space charge build-up can induce substantial electric field strengthening when materials are not well controlled.

  1. c-function and central charge of the sine-Gordon model from the non-perturbative renormalization group flow

    Directory of Open Access Journals (Sweden)

    V. Bacsó

    2015-12-01

    Full Text Available In this paper we study the c-function of the sine-Gordon model taking explicitly into account the periodicity of the interaction potential. The integration of the c-function along trajectories of the non-perturbative renormalization group flow gives access to the central charges of the model in the fixed points. The results at vanishing frequency β2, where the periodicity does not play a role, are retrieved and the independence on the cutoff regulator for small frequencies is discussed. Our findings show that the central charge obtained integrating the trajectories starting from the repulsive low-frequencies fixed points (β2<8π to the infra-red limit is in good quantitative agreement with the expected Δc=1 result. The behavior of the c-function in the other parts of the flow diagram is also discussed. Finally, we point out that including also higher harmonics in the renormalization group treatment at the level of local potential approximation is not sufficient to give reasonable results, even if the periodicity is taken into account. Rather, incorporating the wave-function renormalization (i.e. going beyond local potential approximation is crucial to get sensible results even when a single frequency is used.

  2. Internal Charging

    Science.gov (United States)

    Minow, Joseph I.

    2014-01-01

    (1) High energy (>100keV) electrons penetrate spacecraft walls and accumulate in dielectrics or isolated conductors; (2) Threat environment is energetic electrons with sufficient flux to charge circuit boards, cable insulation, and ungrounded metal faster than charge can dissipate; (3) Accumulating charge density generates electric fields in excess of material breakdown strenght resulting in electrostatic discharge; and (4) System impact is material damage, discharge currents inside of spacecraft Faraday cage on or near critical circuitry, and RF noise.

  3. A new equivalent circuit model for porous carbon electrodes in charge transfer reaction of iodide/triiodide redox couples

    International Nuclear Information System (INIS)

    Kwon, Woosung; Kim, Jung-Min; Rhee, Shi-Woo

    2012-01-01

    In this research, a new equivalent circuit for porous carbon electrodes is proposed. In order to analyze the validity of the new model, electrochemical impedance spectra of carbon black (CB) electrodes in a symmetric cell configuration are examined by varying the CB particle size and the electrode thickness. This model decouples and identifies the following elements: (i) the electron transport resistance and trap capacitance in the CB layer, (ii) the charge transfer resistance and the double layer capacitance, and (iii) the Nernst diffusion impedance at the electrode/electrolyte interface. The fit quality is quantified by the chi-square test, and the fit data show consistency with the measured conductivity, surface area, and thickness of the CB electrode.

  4. Inner ear manifestations in CHARGE: Abnormalities, treatments, animal models, and progress toward treatments in auditory and vestibular structures.

    Science.gov (United States)

    Choo, Daniel I; Tawfik, Kareem O; Martin, Donna M; Raphael, Yehoash

    2017-12-01

    The inner ear contains the sensory organs for hearing and balance. Both hearing and balance are commonly affected in individuals with CHARGE syndrome (CS), an autosomal dominant condition caused by heterozygous pathogenic variants in the CHD7 gene. Semicircular canal dysplasia or aplasia is the single most prevalent feature in individuals with CHARGE leading to deficient gross motor skills and ambulation. Identification of CHD7 as the major gene affected in CHARGE has enabled acceleration of research in this field. Great progress has been made in understanding the role of CHD7 in the development and function of the inner ear, as well as in related organs such as the middle ear and auditory and vestibular neural pathways. The goals of current research on CHD7 and CS are to (a) improve our understanding of the pathology caused by CHD7 pathogenic variants and (b) to provide better tools for prognosis and treatment. Current studies utilize cells and whole animals, from flies to mammals. The mouse is an excellent model for exploring mechanisms of Chd7 function in the ear, given the evolutionary conservation of ear structure, function, Chd7 expression, and similarity of mutant phenotypes between mice and humans. Newly recognized developmental functions for mouse Chd7 are shedding light on how abnormalities in CHD7 might lead to CS symptoms in humans. Here we review known human inner ear phenotypes associated with CHD7 pathogenic variants and CS, summarize progress toward diagnosis and treatment of inner ear-related pathologies, and explore new avenues for treatment based on basic science discoveries. © 2017 Wiley Periodicals, Inc.

  5. Evaluation of Lithium-Ion Battery Equivalent Circuit Models for State of Charge Estimation by an Experimental Approach

    Directory of Open Access Journals (Sweden)

    Jinxin Fan

    2011-03-01

    Full Text Available To improve the use of lithium-ion batteries in electric vehicle (EV applications, evaluations and comparisons of different equivalent circuit models are presented in this paper. Based on an analysis of the traditional lithium-ion battery equivalent circuit models such as the Rint, RC, Thevenin and PNGV models, an improved Thevenin model, named dual polarization (DP model, is put forward by adding an extra RC to simulate the electrochemical polarization and concentration polarization separately. The model parameters are identified with a genetic algorithm, which is used to find the optimal time constant of the model, and the experimental data from a Hybrid Pulse Power Characterization (HPPC test on a LiMn2O4 battery module. Evaluations on the five models are carried out from the point of view of the dynamic performance and the state of charge (SoC estimation. The dynamic performances of the five models are obtained by conducting the Dynamic Stress Test (DST and the accuracy of SoC estimation with the Robust Extended Kalman Filter (REKF approach is determined by performing a Federal Urban Driving Schedules (FUDS experiment. By comparison, the DP model has the best dynamic performance and provides the most accurate SoC estimation. Finally, sensitivity of the different SoC initial values is investigated based on the accuracy of SoC estimation with the REKF approach based on the DP model. It is clear that the errors resulting from the SoC initial value are significantly reduced and the true SoC is convergent within an acceptable error.

  6. Biological dose estimation for charged-particle therapy using an improved PHITS code coupled with a microdosimetric kinetic model

    International Nuclear Information System (INIS)

    Sato, Tatsuhiko; Watanabe, Ritsuko; Kase, Yuki; Niita, Koji; Sihver, Lembit

    2009-01-01

    High-energy heavy ions (HZE particles) have become widely used for radiotherapy of tumors owing to their high biological effectiveness. In the treatment planning of such charged-particle therapy, it is necessary to estimate not only physical but also biological dose, which is the product of physical dose and relative biological effectiveness (RBE). In the Heavy-ion Medical Accelerator in Chiba (HIMAC), the biological dose is estimated by a method proposed by Kanai et al., which is based on the linear-quadratic (LQ) model with its parameters α and β determined by the dose distribution in terms of the unrestricted linear energy transfer (LET). Thus, RBE is simply expressed as a function of LET in their model. However, RBE of HZE particles cannot be uniquely determined from their LET because of their large cross sections for high-energy δ-ray production. Hence, development of a biological dose estimation model that can explicitly consider the track structure of δ-rays around the trajectory of HZE particles is urgently needed. Microdosimetric quantities such as lineal energy y are better indexes for representing RBE of HZE particles in comparison to LET, since they can express the decrease of ionization densities around their trajectories due to the production of δ-rays. The difference of the concept between LET and y is illustrated in Figure 1. However, the use of microdosimetric quantities in computational dosimetry was severely limited because of the difficulty in calculating their probability densities (PDs) in macroscopic matter. We therefore improved the 3-dimensional particle transport simulation code PHITS, providing it with the capability of estimating the microdosimetric PDs in a macroscopic framework by incorporating a mathematical function that can instantaneously calculate the PDs around the trajectory of HZE particles with precision equivalent to a microscopic track-structure simulation. A new method for estimating biological dose from charged

  7. Kalman filtering state of charge estimation for battery management system based on a stochastic fuzzy neural network battery model

    International Nuclear Information System (INIS)

    Xu Long; Wang Junping; Chen Quanshi

    2012-01-01

    Highlights: ► A novel extended Kalman Filtering SOC estimation method based on a stochastic fuzzy neural network (SFNN) battery model is proposed. ► The SFNN which has filtering effect on noisy input can model the battery nonlinear dynamic with high accuracy. ► A robust parameter learning algorithm for SFNN is studied so that the parameters can converge to its true value with noisy data. ► The maximum SOC estimation error based on the proposed method is 0.6%. - Abstract: Extended Kalman filtering is an intelligent and optimal means for estimating the state of a dynamic system. In order to use extended Kalman filtering to estimate the state of charge (SOC), we require a mathematical model that can accurately capture the dynamics of battery pack. In this paper, we propose a stochastic fuzzy neural network (SFNN) instead of the traditional neural network that has filtering effect on noisy input to model the battery nonlinear dynamic. Then, the paper studies the extended Kalman filtering SOC estimation method based on a SFNN model. The modeling test is realized on an 80 Ah Ni/MH battery pack and the Federal Urban Driving Schedule (FUDS) cycle is used to verify the SOC estimation method. The maximum SOC estimation error is 0.6% compared with the real SOC obtained from the discharging test.

  8. Adaptive estimation of state of charge and capacity with online identified battery model for vanadium redox flow battery

    Science.gov (United States)

    Wei, Zhongbao; Tseng, King Jet; Wai, Nyunt; Lim, Tuti Mariana; Skyllas-Kazacos, Maria

    2016-11-01

    Reliable state estimate depends largely on an accurate battery model. However, the parameters of battery model are time varying with operating condition variation and battery aging. The existing co-estimation methods address the model uncertainty by integrating the online model identification with state estimate and have shown improved accuracy. However, the cross interference may arise from the integrated framework to compromise numerical stability and accuracy. Thus this paper proposes the decoupling of model identification and state estimate to eliminate the possibility of cross interference. The model parameters are online adapted with the recursive least squares (RLS) method, based on which a novel joint estimator based on extended Kalman Filter (EKF) is formulated to estimate the state of charge (SOC) and capacity concurrently. The proposed joint estimator effectively compresses the filter order which leads to substantial improvement in the computational efficiency and numerical stability. Lab scale experiment on vanadium redox flow battery shows that the proposed method is highly authentic with good robustness to varying operating conditions and battery aging. The proposed method is further compared with some existing methods and shown to be superior in terms of accuracy, convergence speed, and computational cost.

  9. State of Charge Estimation Using the Extended Kalman Filter for Battery Management Systems Based on the ARX Battery Model

    Directory of Open Access Journals (Sweden)

    Hongjie Wu

    2013-01-01

    Full Text Available State of charge (SOC is a critical factor to guarantee that a battery system is operating in a safe and reliable manner. Many uncertainties and noises, such as fluctuating current, sensor measurement accuracy and bias, temperature effects, calibration errors or even sensor failure, etc. pose a challenge to the accurate estimation of SOC in real applications. This paper adds two contributions to the existing literature. First, the auto regressive exogenous (ARX model is proposed here to simulate the battery nonlinear dynamics. Due to its discrete form and ease of implemention, this straightforward approach could be more suitable for real applications. Second, its order selection principle and parameter identification method is illustrated in detail in this paper. The hybrid pulse power characterization (HPPC cycles are implemented on the 60AH LiFePO4 battery module for the model identification and validation. Based on the proposed ARX model, SOC estimation is pursued using the extended Kalman filter. Evaluation of the adaptability of the battery models and robustness of the SOC estimation algorithm are also verified. The results indicate that the SOC estimation method using the Kalman filter based on the ARX model shows great performance. It increases the model output voltage accuracy, thereby having the potential to be used in real applications, such as EVs and HEVs.

  10. Stability Analysis for Li-Ion Battery Model Parameters and State of Charge Estimation by Measurement Uncertainty Consideration

    Directory of Open Access Journals (Sweden)

    Shifei Yuan

    2015-07-01

    Full Text Available Accurate estimation of model parameters and state of charge (SoC is crucial for the lithium-ion battery management system (BMS. In this paper, the stability of the model parameters and SoC estimation under measurement uncertainty is evaluated by three different factors: (i sampling periods of 1/0.5/0.1 s; (ii current sensor precisions of ±5/±50/±500 mA; and (iii voltage sensor precisions of ±1/±2.5/±5 mV. Firstly, the numerical model stability analysis and parametric sensitivity analysis for battery model parameters are conducted under sampling frequency of 1–50 Hz. The perturbation analysis is theoretically performed of current/voltage measurement uncertainty on model parameter variation. Secondly, the impact of three different factors on the model parameters and SoC estimation was evaluated with the federal urban driving sequence (FUDS profile. The bias correction recursive least square (CRLS and adaptive extended Kalman filter (AEKF algorithm were adopted to estimate the model parameters and SoC jointly. Finally, the simulation results were compared and some insightful findings were concluded. For the given battery model and parameter estimation algorithm, the sampling period, and current/voltage sampling accuracy presented a non-negligible effect on the estimation results of model parameters. This research revealed the influence of the measurement uncertainty on the model parameter estimation, which will provide the guidelines to select a reasonable sampling period and the current/voltage sensor sampling precisions in engineering applications.

  11. Charge preamplifier

    International Nuclear Information System (INIS)

    Chaminade, R.; Passerieux, J.P.

    1961-01-01

    We describe a charge preamplifier having the following properties: - large open loop gain giving both stable gain and large input charge transfer; - stable input grid current with aging and without any adjustment; - fairly fast rise; - nearly optimum noise performance; - industrial material. (authors)

  12. Charge Meter

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 4. Charge Meter: Easy Way to Measure Charge and Capacitance: Some Interesting Electrostatic Experiments. M K Raghavendra V Venkataraman. Classroom Volume 19 Issue 4 April 2014 pp 376-390 ...

  13. Tests of dielectric model descriptions of chemical charge displacements in water

    International Nuclear Information System (INIS)

    Tawa, G.J.; Pratt, L.R.

    1994-01-01

    A dielectric model of electrostatic solvation is applied to describe potentials of mean force in water along reaction paths for (a) pairing of sodium and/or chloride ions; (b) the symmetric S N 2 exchange of chloride in methylchloride; (c) nucleophilic attack of formaldehyde by hydroxide anion. For these cases simulation and XRISM results are available for comparison. The accuracy of model predictions varies from spectacular to poor. It is argued that: (a) dielectric models are physical models, even though simplistic and empirical; (b) their successes suggest that second-order perturbation theory is a physically sound description of free energies of electrostatic solvation; and (c) the most serious deficiency of the dielectric models lies in the definition of cavity volumes. Second-order perturbation theory should therefore be used to refine the dielectric models. These dielectric models make no attempt to assess the role of packing effects but for salvation of classical electrostatic interactions the dielectric models appear to perform as well as the more detailed XRISM theory

  14. A Markov chain approach to modelling charge exchange processes of an ion beam in monotonically increasing or decreasing potentials

    International Nuclear Information System (INIS)

    Shrier, O; Khachan, J; Bosi, S

    2006-01-01

    A Markov chain method is presented as an alternative approach to Monte Carlo simulations of charge exchange collisions by an energetic hydrogen ion beam with a cold background hydrogen gas. This method was used to determine the average energy of the resulting energetic neutrals along the path of the beam. A comparison with Monte Carlo modelling showed a good agreement but with the advantage that it required much less computing time and produced no numerical noise. In particular, the Markov chain method works well for monotonically increasing or decreasing electrostatic potentials. Finally, a good agreement is obtained with experimental results from Doppler shift spectroscopy on energetic beams from a hollow cathode discharge. In particular, the average energy of ions that undergo charge exchange reaches a plateau that can be well below the full energy that might be expected from the applied voltage bias, depending on the background gas pressure. For example, pressures of ∼20 mTorr limit the ion energy to ∼20% of the applied voltage

  15. Revising the Local Bubble Model due to Solar Wind Charge Exchange X-ray Emission

    Science.gov (United States)

    Shelton, Robin L.

    2009-03-01

    The hot Local Bubble surrounding the solar neighborhood has been primarily studied through observations of its soft X-ray emission. The measurements were obtained by attributing all of the observed local soft X-rays to the bubble. However, mounting evidence shows that the heliosphere also produces diffuse X-rays. The source is solar wind ions that have received an electron from another atom. The presence of this alternate explanation for locally produced diffuse X-rays calls into question the existence and character of the Local Bubble. This article addresses these questions. It reviews the literature on solar wind charge exchange (SWCX) X-ray production, finding that SWCX accounts for roughly half of the observed local 1/4 keV X-rays found at low latitudes. This article also makes predictions for the heliospheric O VI column density and intensity, finding them to be smaller than the observational error bars. Evidence for the continued belief that the Local Bubble contains hot gas includes the remaining local 1/4 keV intensity, the observed local O VI column density, and the need to fill the local region with some sort of plasma. If the true Local Bubble is half as bright as previously thought, then its electron density and thermal pressure are 1/sqrt{2} as great as previously thought, and its energy requirements and emission measure are 1/2 as great as previously thought. These adjustments can be accommodated easily, and, in fact, bring the Local Bubble’s pressure more in line with that of the adjacent material. Suggestions for future work are made.

  16. Charging Customers or Making Profit? Business Model Change in the Software Industry

    Directory of Open Access Journals (Sweden)

    Margit Malmmose Peyton

    2014-08-01

    Full Text Available Purpose: Advancements in technology, changing customer demands or new market entrants are often seen as a necessary condition to trigger the creation of new Business Models, or disruptive change in existing ones. Yet, the sufficient condition is often determined by pricing and how customers are willing to pay for the technology (Chesbrough and Rosenbloom, 2002. As a consequence, much research on Business Models has focused on innovation and technology management (Rajala et al., 2012; Zott et al., 2011, and software-specific frameworks for Business Models have emerged (Popp, 2011; Rajala et al., 2003; Rajala et al., 2004; Stahl, 2004. This paper attempts to illustrate Business Model change in the software industry. Design: Drawing on Rajala et al. (2003, this case study explores the (1 antecedents and (2 consequences of a Business Model-change in a logistics software company. The company decided to abolish their profitable fee-based licensing for an internet-based version of its core product and to offer it as freeware including unlimited service. Findings: Firstly, we illustrate how external developments in technology and customer demands (pricing, as well as the desire for a sustainable Business Model, have led to this drastic change. Secondly, we initially find that much of the company’s new Business Model is congruent with the company-focused framework of Rajala et al. (2003 [product strategy; distribution model, services and implementation; revenue logic]. Value: The existing frameworks for Business Models in the software industry cannot fully explain the disruptive change in the Business Model. Therefore, we suggest extending the framework by the element of ‘innovation’.

  17. Charging machine

    International Nuclear Information System (INIS)

    Medlin, J.B.

    1976-01-01

    A charging machine for loading fuel slugs into the process tubes of a nuclear reactor includes a tubular housing connected to the process tube, a charging trough connected to the other end of the tubular housing, a device for loading the charging trough with a group of fuel slugs, means for equalizing the coolant pressure in the charging trough with the pressure in the process tubes, means for pushing the group of fuel slugs into the process tube and a latch and a seal engaging the last object in the group of fuel slugs to prevent the fuel slugs from being ejected from the process tube when the pusher is removed and to prevent pressure liquid from entering the charging machine. 3 claims, 11 drawing figures

  18. A method for state-of-charge estimation of Li-ion batteries based on multi-model switching strategy

    International Nuclear Information System (INIS)

    Wang, Yujie; Zhang, Chenbin; Chen, Zonghai

    2015-01-01

    Highlights: • Build a multi-model switching SOC estimate method for Li-ion batteries. • Build an improved interpretative structural modeling method for model switching. • The feedback strategy of bus delay is applied to improve the real-time performance. • The EKF method is used for SOC estimation to improve the estimated accuracy. - Abstract: The accurate state-of-charge (SOC) estimation and real-time performance are critical evaluation indexes for Li-ion battery management systems (BMS). High accuracy algorithms often take long program execution time (PET) in the resource-constrained embedded application systems, which will undoubtedly lead to the decrease of the time slots of other processes, thereby reduce the overall performance of BMS. Considering the resource optimization and the computational load balance, this paper proposes a multi-model switching SOC estimation method for Li-ion batteries. Four typical battery models are employed to build a close-loop SOC estimation system. The extended Kalman filter (EKF) method is employed to eliminate the effect of the current noise and improve the accuracy of SOC. The experiments under dynamic current conditions are conducted to verify the accuracy and real-time performance of the proposed method. The experimental results indicate that accurate estimation results and reasonable PET can be obtained by the proposed method

  19. Massive quiver matrix models for massive charged particles in AdS

    Energy Technology Data Exchange (ETDEWEB)

    Asplund, Curtis T.; Denef, Frederik [Department of Physics, Columbia University,538 West 120th Street, New York, New York 10027 (United States); Dzienkowski, Eric [Department of Physics, Broida Hall, University of California Santa Barbara,Santa Barbara, California 93106 (United States)

    2016-01-11

    We present a new class of N=4 supersymmetric quiver matrix models and argue that it describes the stringy low-energy dynamics of internally wrapped D-branes in four-dimensional anti-de Sitter (AdS) flux compactifications. The Lagrangians of these models differ from previously studied quiver matrix models by the presence of mass terms, associated with the AdS gravitational potential, as well as additional terms dictated by supersymmetry. These give rise to dynamical phenomena typically associated with the presence of fluxes, such as fuzzy membranes, internal cyclotron motion and the appearance of confining strings. We also show how these models can be obtained by dimensional reduction of four-dimensional supersymmetric quiver gauge theories on a three-sphere.

  20. Irrational Charge from Topological Order

    Science.gov (United States)

    Moessner, R.; Sondhi, S. L.

    2010-10-01

    Topological or deconfined phases of matter exhibit emergent gauge fields and quasiparticles that carry a corresponding gauge charge. In systems with an intrinsic conserved U(1) charge, such as all electronic systems where the Coulombic charge plays this role, these quasiparticles are also characterized by their intrinsic charge. We show that one can take advantage of the topological order fairly generally to produce periodic Hamiltonians which endow the quasiparticles with continuously variable, generically irrational, intrinsic charges. Examples include various topologically ordered lattice models, the three-dimensional resonating valence bond liquid on bipartite lattices as well as water and spin ice. By contrast, the gauge charges of the quasiparticles retain their quantized values.

  1. A Novel Methodology for Charging Station Deployment

    Science.gov (United States)

    Sun, Zhonghao; Zhao, Yunwei; He, Yueying; Li, Mingzhe

    2018-02-01

    Lack of charging stations has been a main obstacle to the promotion of electric vehicles. This paper studies deploying charging stations in traffic networks considering grid constraints to balance the charging demand and grid stability. First, we propose a statistical model for charging demand. Then we combine the charging demand model with power grid constraints and give the formulation of the charging station deployment problem. Finally, we propose a theoretical solution for the problem by transforming it to a Markov Decision Process.

  2. A novel multi-model probability battery state of charge estimation approach for electric vehicles using H-infinity algorithm

    International Nuclear Information System (INIS)

    Lin, Cheng; Mu, Hao; Xiong, Rui; Shen, Weixiang

    2016-01-01

    Highlights: • A novel multi-model probability battery SOC fusion estimation approach was proposed. • The linear matrix inequality-based H∞ technique is employed to estimate the SOC. • The Bayes theorem has been employed to realize the optimal weight for the fusion. • The robustness of the proposed approach is verified by different batteries. • The results show that the proposed method can promote global estimation accuracy. - Abstract: Due to the strong nonlinearity and complex time-variant property of batteries, the existing state of charge (SOC) estimation approaches based on a single equivalent circuit model (ECM) cannot provide the accurate SOC for the entire discharging period. This paper aims to present a novel SOC estimation approach based on a multiple ECMs fusion method for improving the practical application performance. In the proposed approach, three battery ECMs, namely the Thevenin model, the double polarization model and the 3rd order RC model, are selected to describe the dynamic voltage of lithium-ion batteries and the genetic algorithm is then used to determine the model parameters. The linear matrix inequality-based H-infinity technique is employed to estimate the SOC from the three models and the Bayes theorem-based probability method is employed to determine the optimal weights for synthesizing the SOCs estimated from the three models. Two types of lithium-ion batteries are used to verify the feasibility and robustness of the proposed approach. The results indicate that the proposed approach can improve the accuracy and reliability of the SOC estimation against uncertain battery materials and inaccurate initial states.

  3. Irreversible mean-field model of the critical behavior of charge-density waves below the threshold for sliding

    Science.gov (United States)

    Sornette, Didier

    1993-05-01

    A mean-field (MF) model of the critical behavior of charge-density waves below the threshold for sliding is proposed, which replaces the combined effect of the pinning force and of the forces exerted by the neighbors on a given particle n by an effective force threshold Xn. It allows one to rationalize the numerical results of Middleton and Fisher [Phys. Rev. Lett. 66 (1991) 92] on the divergence of the polarization and of the largest correlation length and of Pla and Nori [Phys. Rev. Lett. 67 (1991) 919] on the distribution D( d) of sliding bursts of size d, measured in narrow intervals of driving fields E at a finite distance below the threshold Ec.

  4. Charge independence and charge symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Miller, G A [Washington Univ., Seattle, WA (United States). Dept. of Physics; van Oers, W T.H. [Manitoba Univ., Winnipeg, MB (Canada). Dept. of Physics; [TRIUMF, Vancouver, BC (Canada)

    1994-09-01

    Charge independence and charge symmetry are approximate symmetries of nature, violated by the perturbing effects of the mass difference between up and down quarks and by electromagnetic interactions. The observations of the symmetry breaking effects in nuclear and particle physics and the implications of those effects are reviewed. (author). 145 refs., 3 tabs., 11 figs.

  5. Charge independence and charge symmetry

    International Nuclear Information System (INIS)

    Miller, G.A.

    1994-09-01

    Charge independence and charge symmetry are approximate symmetries of nature, violated by the perturbing effects of the mass difference between up and down quarks and by electromagnetic interactions. The observations of the symmetry breaking effects in nuclear and particle physics and the implications of those effects are reviewed. (author). 145 refs., 3 tabs., 11 figs

  6. Measurement of Neutrino Induced, Charged Current, Charged Pion Production

    Energy Technology Data Exchange (ETDEWEB)

    Wilking, Michael Joseph [Univ. of Colorado, Boulder, CO (United States)

    2009-05-01

    Neutrinos are among the least understood particles in the standard model of particle physics. At neutrino energies in the 1 GeV range, neutrino properties are typically determined by observing the outgoing charged lepton produced in a charged current quasi-elastic interactions. The largest charged current background to these measurements comes from charged current pion production interactions, for which there is very little available data.

  7. A one-dimensional Q-machine model taking into account charge-exchange collisions

    International Nuclear Information System (INIS)

    Maier, H.; Kuhn, S.

    1992-01-01

    The Q-machine is a nontrivial bounded plasma system which is excellently suited not only for fundamental plasma physics investigations but also for the development and testing of new theoretical methods for modeling such systems. However, although Q-machines have now been around for over thirty years, it appears that there exist no comprehensive theoretical models taking into account their considerable geometrical and physical complexity with a reasonable degree of self-consistency. In the present context we are concerned with the low-density, single-emitter Q-machine, for which the most widely used model is probably the (one-dimensional) ''collisionless plane-diode model'', which has originally been developed for thermionic diodes. Although the validity of this model is restricted to certain ''axial'' phenomena, we consider it a suitable starting point for extensions of various kinds. While a generalization to two-dimensional geometry (with still collisionless plasma) is being reported elsewhere, the present work represents a first extension to collisional plasma (with still one-dimensional geometry). (author) 12 refs., 2 figs

  8. New approach of modeling charged particles track development in CR-39 detectors

    International Nuclear Information System (INIS)

    Azooz, A.A.; Hermsdorf, D.; Al-Jubbori, M.A.

    2013-01-01

    In this work, previous modeling of protons and alpha particles track length development in CR-39 solid state nuclear track detectors SSNTD is modified and further extended. The extension involved the accommodation of heavier ions into the model. These ions include deuteron, lithium, boron, carbon, nitrogen and oxygen ions. The new modeling does not contain any case sensitive free fitting parameters. Model calculation results are found to be in good agreement with both experimental data and SRIM software range energy dependence predictions. The access to a single unified and differentiable track length development equation results in the ability to obtain direct results for track etching rates. - Highlights: • New modeling of ions track length evolution measured by different authors. • Ions considered are p, d, α, Li, B, C, N, O. • Equations obtained to describe L(t) and etch rate for all ions at wide energy range. • Equations obtained do not involve any free fitting parameters. • Ions range values obtained compare well with results of SRIM software

  9. A surface structural model for ferrihydrite I: Sites related to primary charge, molar mass, and mass density

    Science.gov (United States)

    Hiemstra, Tjisse; Van Riemsdijk, Willem H.

    2009-08-01

    A multisite surface complexation (MUSIC) model for ferrihydrite (Fh) has been developed. The surface structure and composition of Fh nanoparticles are described in relation to ion binding and surface charge development. The site densities of the various reactive surface groups, the molar mass, the mass density, the specific surface area, and the particle size are quantified. As derived theoretically, molecular mass and mass density of nanoparticles will depend on the types of surface groups and the corresponding site densities and will vary with particle size and surface area because of a relatively large contribution of the surface groups in comparison to the mineral core of nanoparticles. The nano-sized (˜2.6 nm) particles of freshly prepared 2-line Fh as a whole have an increased molar mass of M ˜ 101 ± 2 g/mol Fe, a reduced mass density of ˜3.5 ± 0.1 g/cm 3, both relatively to the mineral core. The specific surface area is ˜650 m 2/g. Six-line Fh (5-6 nm) has a molar mass of M ˜ 94 ± 2 g/mol, a mass density of ˜3.9 ± 0.1 g/cm 3, and a surface area of ˜280 ± 30 m 2/g. Data analysis shows that the mineral core of Fh has an average chemical composition very close to FeOOH with M ˜ 89 g/mol. The mineral core has a mass density around ˜4.15 ± 0.1 g/cm 3, which is between that of feroxyhyte, goethite, and lepidocrocite. These results can be used to constrain structural models for Fh. Singly-coordinated surface groups dominate the surface of ferrihydrite (˜6.0 ± 0.5 nm -2). These groups can be present in two structural configurations. In pairs, the groups either form the edge of a single Fe-octahedron (˜2.5 nm -2) or are present at a single corner (˜3.5 nm -2) of two adjacent Fe octahedra. These configurations can form bidentate surface complexes by edge- and double-corner sharing, respectively, and may therefore respond differently to the binding of ions such as uranyl, carbonate, arsenite, phosphate, and others. The relatively low PZC of

  10. The broad component of hydrogen emission lines in nuclei of Seyfert galaxies: Comments on a charge exchange model

    International Nuclear Information System (INIS)

    Katz, A.

    1975-01-01

    A model to account for the broad hydrogen line emission from the nuclei of Seyfert galaxies based on charge exchange and collisional processes, as proposed by Ptak and Stoner, is investigated. The model consists of a source of fast (E approx. 10 5 eV) protons streaming through a medium of quiescent gas. One of the major problems that results from such a model concerns the strong narrow hydrogen line core that would be produced, in direct conflict with the observations. The lines cannot arise from gas arranged throughout a spherical volume surrounding the source of the fast particles because the fast protons would produce far more ionizations than the possible number of recombinations. A very dense shell source of less than 1 AU in thickness and at least several tens of parsecs in radius must be invoked to reproduce the asymmetric broad profiles observed. There must be absorption throughout the center of the shell to account for the line profiles. The gas cannot be arranged in dense clumps throughout a large volume because momentum exchange of the gas with the primary particles would quickly accelerate any clumps. The energy balance and energy requirements of such a model are investigated, and it is found that an energy equal to or greater than the total luminosity of most Seyfert galaxies is required to produce the hydrogen line alone. The gas must be mostly neutral and den []e (N approx. 10 7 ) if a reasonable temperature is to be maintained

  11. Testing the Standard Model by precision measurement of the weak charges of quarks

    Energy Technology Data Exchange (ETDEWEB)

    Ross Young; Roger Carlini; Anthony Thomas; Julie Roche

    2007-05-01

    In a global analysis of the latest parity-violating electron scattering measurements on nuclear targets, we demonstrate a significant improvement in the experimental knowledge of the weak neutral-current lepton-quark interactions at low-energy. The precision of this new result, combined with earlier atomic parity-violation measurements, limits the magnitude of possible contributions from physics beyond the Standard Model - setting a model-independent, lower-bound on the scale of new physics at ~1 TeV.

  12. A Thin Lens Model for Charged-Particle RF Accelerating Gaps

    Energy Technology Data Exchange (ETDEWEB)

    Allen, Christopher K. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-07-01

    Presented is a thin-lens model for an RF accelerating gap that considers general axial fields without energy dependence or other a priori assumptions. Both the cosine and sine transit time factors (i.e., Fourier transforms) are required plus two additional functions; the Hilbert transforms the transit-time factors. The combination yields a complex-valued Hamiltonian rotating in the complex plane with synchronous phase. Using Hamiltonians the phase and energy gains are computed independently in the pre-gap and post-gap regions then aligned using the asymptotic values of wave number. Derivations of these results are outlined, examples are shown, and simulations with the model are presented.

  13. Integration of the metal ion charge neutralization model for humic acid complexation into the geochemical speciation code EQ3/6

    International Nuclear Information System (INIS)

    Brendler, V.

    2002-01-01

    Geochemical modeling often requires the consideration of humics as major complexing agent and colloid. The metal ion charge neutralization model can handle respective interactions and has therefore been integrated into the speciation software EQ3/6. An application showing the influence of the pH-dependence of the loading capacity on actinide speciation is given. (orig.)

  14. Affine-response model of molecular solvation of ions: Accurate predictions of asymmetric charging free energies

    Czech Academy of Sciences Publication Activity Database

    Bardhan, J. P.; Jungwirth, Pavel; Makowski, L.

    Roč. 137, č. 12 ( 2012 ), 124101/1-124101/6 ISSN 0021-9606 R&D Projects: GA MŠk LH12001 Institutional research plan: CEZ:AV0Z40550506 Keywords : ion solvation * continuum models * linear response Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.164, year: 2012

  15. Charge superlattice effects on the electronic structure of a model acceptor graphite intercalation compound

    International Nuclear Information System (INIS)

    Campagnoli, G.; Tosatti, E.

    1981-08-01

    In the present attempt we have considered a model ordered situation (a super-superlattice) where starting from a basic stoichiometry C 8 X, a fraction 1/3 of the molecules acquire one electron, the remaining 2/3 being left neutral. We have performed an electronic structure calculation using tight-binding plus electrostatic (Hartree) self-consistency

  16. Sheet beam model for intense space charge: Application to Debye screening and the distribution of particle oscillation frequencies in a thermal equilibrium beam

    Directory of Open Access Journals (Sweden)

    Steven M. Lund

    2011-05-01

    Full Text Available A one-dimensional Vlasov-Poisson model for sheet beams is reviewed and extended to provide a simple framework for analysis of space-charge effects. Centroid and rms envelope equations including image-charge effects are derived and reasonable parameter equivalences with commonly employed 2D transverse models of unbunched beams are established. This sheet-beam model is then applied to analyze several problems of fundamental interest. A sheet-beam thermal equilibrium distribution in a continuous focusing channel is constructed and shown to have analogous properties to two- and three-dimensional thermal equilibrium models in terms of the equilibrium structure and Debye screening properties. The simpler formulation for sheet beams is exploited to explicitly calculate the distribution of particle oscillation frequencies within a thermal equilibrium beam. It is shown that as space-charge intensity increases, the frequency distribution becomes broad, suggesting that beams with strong space-charge can have improved stability relative to beams with weak space-charge.

  17. Performance Analysis of Machine-Learning Approaches for Modeling the Charging/Discharging Profiles of Stationary Battery Systems with Non-Uniform Cell Aging

    Directory of Open Access Journals (Sweden)

    Nandha Kumar Kandasamy

    2017-06-01

    Full Text Available The number of Stationary Battery Systems (SBS connected to various power distribution networks across the world has increased drastically. The increase in the integration of renewable energy sources is one of the major contributors to the increase in the number of SBS. SBS are also used in other applications such as peak load management, load-shifting, voltage regulation and power quality improvement. Accurately modeling the charging/discharging characteristics of such SBS at various instances (charging/discharging profile is vital for many applications. Capacity loss due to the aging of the batteries is an important factor to be considered for estimating the charging/discharging profile of SBS more accurately. Empirical modeling is a common approach used in the literature for estimating capacity loss, which is further used for estimating the charging/discharging profiles of SBS. However, in the case of SBS used for renewable integration and other grid related applications, machine-learning (ML based models provide extreme flexibility and require minimal resources for implementation. The models can even leverage existing smart meter data to estimate the charging/discharging profile of SBS. In this paper, an analysis on the performance of different ML approaches that can be applied for lithium iron phosphate battery systems and vanadium redox flow battery systems used as SBS is presented for the scenarios where the aging of individual cells is non-uniform.

  18. Surface Complexation Modeling in Variable Charge Soils: Prediction of Cadmium Adsorption

    Directory of Open Access Journals (Sweden)

    Giuliano Marchi

    2015-10-01

    Full Text Available ABSTRACT Intrinsic equilibrium constants for 22 representative Brazilian Oxisols were estimated from a cadmium adsorption experiment. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. Intrinsic equilibrium constants were optimized by FITEQL and by hand calculation using Visual MINTEQ in sweep mode, and Excel spreadsheets. Data from both models were incorporated into Visual MINTEQ. Constants estimated by FITEQL and incorporated in Visual MINTEQ software failed to predict observed data accurately. However, FITEQL raw output data rendered good results when predicted values were directly compared with observed values, instead of incorporating the estimated constants into Visual MINTEQ. Intrinsic equilibrium constants optimized by hand calculation and incorporated in Visual MINTEQ reliably predicted Cd adsorption reactions on soil surfaces under changing environmental conditions.

  19. The Compound Binomial Risk Model with Randomly Charging Premiums and Paying Dividends to Shareholders

    Directory of Open Access Journals (Sweden)

    Xiong Wang

    2013-01-01

    Full Text Available Based on characteristics of the nonlife joint-stock insurance company, this paper presents a compound binomial risk model that randomizes the premium income on unit time and sets the threshold for paying dividends to shareholders. In this model, the insurance company obtains the insurance policy in unit time with probability and pays dividends to shareholders with probability when the surplus is no less than . We then derive the recursive formulas of the expected discounted penalty function and the asymptotic estimate for it. And we will derive the recursive formulas and asymptotic estimates for the ruin probability and the distribution function of the deficit at ruin. The numerical examples have been shown to illustrate the accuracy of the asymptotic estimations.

  20. Inner shell Coulomb ionization by heavy charged particles studied by the SCA model

    International Nuclear Information System (INIS)

    Hansteen, J.M.

    1976-12-01

    The seven papers, introduced by the most recent, subtitled 'A condensed status review', form a survey of the work by the author and his colleagues on K-, L-, and M-shell ionisation by impinging protons, deuterons and α-particles in the period 1971-1976. The SCA model is discussed and compared with other approximations for inner shell Coulomb ionisation. The future aspects in this field are also discussed. (JIW)

  1. Petroleum migration pathways and charge concentration: A three-dimensional model

    Energy Technology Data Exchange (ETDEWEB)

    Hindle, A.D. [Anadarko Algeria Corp., Middlesex (United Kingdom)

    1997-09-01

    Petroleum migration pathways through a basin are determined by the three-dimensional distribution of discontinuous sealing surfaces, which are usually parallel to bedding. The petroleum migrates below the sealing surface, taking the structurally most advantageous route. The three-dimensional distribution of migration pathways within the petroleum system can be modeled on a personal computer using a program based on the parameters discussed in this paper. Application of the model to the Paris and Williston basins demonstrates that a good correlation between predicted pathways and discovered accumulations can be made using simple models. Pathways form a dense network overlying generating areas in the central parts of basins. Toward the basin margins these routes commonly become increasingly focused into discrete pathways by the sealing-surface morphologies. Eventually, these pathways may reach the surface as seepages. It is important to integrate surface outcrops of migration routes (surface seepages) into migration modeling. Deflection of the pathways from the structurally most advantageous route below the sealing surface may be caused by lateral sealing barriers due to faces variation in the carrier rock below the seal, fault juxtaposition, or cross-formational seals such as salt intrusions. Deflection of pathways also occurs where there are hydrodynamic conditions in response to topography-driven groundwater flow. Zones of vertical migration are associated with facies changes along the horizon of the sealing surface into a nonsealing facies, or juxtaposition to nonsealing strata by faults. Vertical migration from either normally or abnormally pressured strata is most likely to occur into normally or lesser pressured strata at intrabasinal highs where hydrocarbons can be stored and transferred at times of temporary seal rupture.

  2. Proton and neutron charge form factors in soliton model with dilaton-quarkonium fields

    International Nuclear Information System (INIS)

    Magar, E.N.; Nikolaev, V.A.; Tkachev, O.G.; Novozhilov, V.Yu.

    1997-01-01

    Nucleon electromagnetic form factors are considered in the framework of the generalized Skyrme model with dilaton-quarkonium fields. In our first publication we got big discrepancy between calculated form factors and dipole approximation formula. Here we have reasonably good accordance between them in finite impulse region after vector meson dominance has been taken into account. Omega- and rho-mesons have been included only into hadron structure of the photon

  3. Dynamic model of elementary particles and the nature of mass and “electric” charge

    OpenAIRE

    Kreidik, Leonid G.; Institute of Mathematics & Physics, UTA; Shpenkov, George P.; Institute of Mathematics & Physics, UTA

    2009-01-01

    The physical model of elementary particles, based on the wave features of their behavior, is described here. Elementary particles are regarded as elementary dynamical structures of the microworld, interrelated with all levels of the Universe, i.e., inseparable from the structure of the Universe as a whole. Between any elementary particles and the ambient field of matter-space-time, as well as between elementary particles themselves, there exists an interchange of matter-space-time occurring b...

  4. Modeling spin selectivity in charge transfer across the DNA/Gold interface

    Energy Technology Data Exchange (ETDEWEB)

    Behnia, S., E-mail: s.behnia@sci.uut.ac.ir [Department of Physics, Urmia University of Technology, Urmia (Iran, Islamic Republic of); Fathizadeh, S. [Department of Physics, Urmia University of Technology, Urmia (Iran, Islamic Republic of); Akhshani, A. [Department of Physics, Urmia Branch, Islamic Azad University, Urmia (Iran, Islamic Republic of)

    2016-09-30

    Highlights: • DNA in spintronics is applied. Nearly pure spin current is observed in the system. • A combined spin-polaronic PBH model is proposed for spin transfer in DNA molecule. • Spin Hall effect in DNA due to spin–orbit coupling is verified. • The temperature dependence of Hall conductivity is appeared. • Regions of parameters were determined that polarization of spin current is maximum. - Abstract: Experimental results show that the photoelectrons emitted from the gold substrate due to laser radiation, passe through DNA nanowires with spin-polarized nature. This study proposes the use of chiral DNA molecule in spintronics and information processing. To investigate the spin transfer in DNA molecules, we established a theoretical model based on a combined spin-polaronic Peyrard–Bishop–Holstein model. Accordingly, a nearly pure spin current is appeared. The simultaneous effects of the incident radiation and external magnetic field create characteristic islands corresponding to the pure spin currents, which can be predicted and detected using the multifractal dimensions spectrum. We can verify the spin Hall effect on DNA oligomers through spin–orbit coupling. As such, we can proceed to our significant purpose, which is to create a nearly pure spin current for information transfer and determine the regions of parameter values from which the maximal polarization in spin current emerges.

  5. Does really Born-Oppenheimer approximation break down in charge transfer processes? An exactly solvable model

    International Nuclear Information System (INIS)

    Kuznetsov, Alexander M.; Medvedev, Igor G.

    2006-01-01

    Effects of deviation from the Born-Oppenheimer approximation (BOA) on the non-adiabatic transition probability for the transfer of a quantum particle in condensed media are studied within an exactly solvable model. The particle and the medium are modeled by a set of harmonic oscillators. The dynamic interaction of the particle with a single local mode is treated explicitly without the use of BOA. Two particular situations (symmetric and non-symmetric systems) are considered. It is shown that the difference between the exact solution and the true BOA is negligibly small at realistic parameters of the model. However, the exact results differ considerably from those of the crude Condon approximation (CCA) which is usually considered in the literature as a reference point for BOA (Marcus-Hush-Dogonadze formula). It is shown that the exact rate constant can be smaller (symmetric system) or larger (non-symmetric one) than that obtained in CCA. The non-Condon effects are also studied

  6. Predictive modeling of performance of a helium charged Stirling engine using an artificial neural network

    International Nuclear Information System (INIS)

    Özgören, Yaşar Önder; Çetinkaya, Selim; Sarıdemir, Suat; Çiçek, Adem; Kara, Fuat

    2013-01-01

    Highlights: ► Max torque and power values were obtained at 3.5 bar Pch, 1273 K Hst and 1.4:1 r. ► According to ANOVA, the most influential parameter on power was Hst with 48.75%. ► According to ANOVA, the most influential parameter on torque was Hst with 41.78%. ► ANN (R 2 = 99.8% for T, P) was superior to regression method (R 2 = 92% for T, 81% for P). ► LM was the best learning algorithm in predicting both power and torque. - Abstract: In this study, an artificial neural network (ANN) model was developed to predict the torque and power of a beta-type Stirling engine using helium as the working fluid. The best results were obtained by 5-11-7-1 and 5-13-7-1 network architectures, with double hidden layers for the torque and power respectively. For these network architectures, the Levenberg–Marquardt (LM) learning algorithm was used. Engine performance values predicted with the developed ANN model were compared with the actual performance values measured experimentally, and substantially coinciding results were observed. After ANN training, correlation coefficients (R 2 ) of both engine performance values for testing and training data were very close to 1. Similarly, root-mean-square error (RMSE) and mean error percentage (MEP) values for the testing and training data were less than 0.02% and 3.5% respectively. These results showed that the ANN is an acceptable model for prediction of the torque and power of the beta-type Stirling engine

  7. SIMPLIFIED CHARGED PARTICLE BEAM TRANSPORT MODELING USING COMMONLY AVAILABLE COMMERCIAL SOFTWARE

    Energy Technology Data Exchange (ETDEWEB)

    D. Douglas; K. Beard; J. Eldred; P. Evtushenko; A. Jenkins; W. Moore; L. Osborne; D. Sexton; C. Tennant

    2007-06-18

    Particle beam modeling in accelerators has been the focus of considerable effort since the 1950s. Many generations of tools have resulted from this process, each leveraging both prior experience and increases in computer power. However, continuing innovation in accelerator technology results in systems that are not well described by existing tools, so the software development process is on-going. We discuss a novel response to this situation, which was encountered when Jefferson Lab began operation of its energy-recovering linacs. These machines were not readily described with legacy soft-ware; therefore a model was built using Microsoft Excel. This interactive simulation can query data from the accelerator, use it to compute machine parameters, analyze difference orbit data, and evaluate beam properties. It can also derive new accelerator tunings and rapidly evaluate the impact of changes in machine configuration. As it is spreadsheet-based, it can be easily user-modified in response to changing requirements. Examples for the JLab IR Upgrade FEL are presented.

  8. SIMPLIFIED CHARGED PARTICLE BEAM TRANSPORT MODELING USING COMMONLY AVAILABLE COMMERCIAL SOFTWARE

    International Nuclear Information System (INIS)

    D. Douglas; K. Beard; J. Eldred; P. Evtushenko; A. Jenkins; W. Moore; L. Osborne; D. Sexton; C. Tennant

    2007-01-01

    Particle beam modeling in accelerators has been the focus of considerable effort since the 1950s. Many generations of tools have resulted from this process, each leveraging both prior experience and increases in computer power. However, continuing innovation in accelerator technology results in systems that are not well described by existing tools, so the software development process is on-going. We discuss a novel response to this situation, which was encountered when Jefferson Lab began operation of its energy-recovering linacs. These machines were not readily described with legacy soft-ware; therefore a model was built using Microsoft Excel. This interactive simulation can query data from the accelerator, use it to compute machine parameters, analyze difference orbit data, and evaluate beam properties. It can also derive new accelerator tunings and rapidly evaluate the impact of changes in machine configuration. As it is spreadsheet-based, it can be easily user-modified in response to changing requirements. Examples for the JLab IR Upgrade FEL are presented

  9. Charge states of ions, and mechanisms of charge ordering transitions

    Science.gov (United States)

    Pickett, Warren E.; Quan, Yundi; Pardo, Victor

    2014-07-01

    To gain insight into the mechanism of charge ordering transitions, which conventionally are pictured as a disproportionation of an ion M as 2Mn+→M(n+1)+ + M(n-1)+, we (1) review and reconsider the charge state (or oxidation number) picture itself, (2) introduce new results for the putative charge ordering compound AgNiO2 and the dual charge state insulator AgO, and (3) analyze the cationic occupations of the actual (not formal) charge, and work to reconcile the conundrums that arise. We establish that several of the clearest cases of charge ordering transitions involve no disproportion (no charge transfer between the cations, and hence no charge ordering), and that the experimental data used to support charge ordering can be accounted for within density functional-based calculations that contain no charge transfer between cations. We propose that the charge state picture retains meaning and importance, at least in many cases, if one focuses on Wannier functions rather than atomic orbitals. The challenge of modeling charge ordering transitions with model Hamiltonians isdiscussed.

  10. Application of air traffic control competence reference models as a mean of air navigation services provider’s charge optimization

    Directory of Open Access Journals (Sweden)

    В.П. Харченко

    2010-01-01

    Full Text Available  The issue of application of Air Traffic Control (ATC competence reference models as a mean of air navigation services provider’s charge optimization is described in the article, and this issue is interpretated as an optimization task. The data relating to the significant growth of aviation traffic, especially using the airspace of Ukraine, given by authors, and the statement of fact that Air Traffic Management (ATM system’s technical component reliability increasement takes place on the basis of practically invariable psychophysiological abilities of aviation controller, make the substantiation of ANSP provision with the most trained ATC controllers for the work on the working places of ATC Unit actual. The ‘mechanism’ of ATC controllers competence reference model creation is defined step-by step. There is an example of candidate’s for the working place competence quantitative individual model forming as a common criteria of competence, which, in its turn, is the compressed format of all parameters of its working activity, received at the stage of control. The approach, according to which the individual parameters of graduating student’s output model’s professional characteristics, which he received after the examination of his work as Tower controller (ATM Unit of aerodrome control service, approach controller or area control service controller, are compared with the predetermined specialist’s competence reference model, relating to the special working place in ATM system, is supposed here. Notably, the conception, relating to the correspondence of the graduating student’s competence output level to the defined reference model of ATC controller, relating to the special working place of ATM Unit, is realised.

  11. Relativistic charged Bose gas

    International Nuclear Information System (INIS)

    Hines, D.F.; Frankel, N.E.

    1979-01-01

    The charged Bose has been previously studied as a many body problem of great intrinsic interest which can also serve as a model of some real physical systems, for example, superconductors, white dwarf stars and neutron stars. In this article the excitation spectrum of a relativistic spin-zero charged Bose gas is obtained in a dielectric response formulation. Relativity introduces a dip in the spectrum and consequences of this dip for the thermodynamic functions are discussed

  12. The Distribution of Charged Amino Acid Residues and the Ca2+ Permeability of Nicotinic Acetylcholine Receptors: A Predictive Model

    Directory of Open Access Journals (Sweden)

    Sergio Fucile

    2017-05-01

    Full Text Available Nicotinic acetylcholine receptors (nAChRs are cation-selective ligand-gated ion channels exhibiting variable Ca2+ permeability depending on their subunit composition. The Ca2+ permeability is a crucial functional parameter to understand the physiological role of nAChRs, in particular considering their ability to modulate Ca2+-dependent processes such as neurotransmitter release. The rings of extracellular and intracellular charged amino acid residues adjacent to the pore-lining TM2 transmembrane segment have been shown to play a key role in the cation selectivity of these receptor channels, but to date a quantitative relationship between these structural determinants and the Ca2+ permeability of nAChRs is lacking. In the last years the Ca2+ permeability of several nAChR subtypes has been experimentally evaluated, in terms of fractional Ca2+ current (Pf, i.e., the percentage of the total current carried by Ca2+ ions. In the present study, the available Pf-values of nAChRs are used to build a simplified modular model describing the contribution of the charged residues in defined regions flanking TM2 to the selectivity filter controlling Ca2+ influx. This model allows to predict the currently unknown Pf-values of existing nAChRs, as well as the hypothetical Ca2+ permeability of subunit combinations not able to assemble into functional receptors. In particular, basing on the amino acid sequences, a Pf > 50% would be associated with homomeric nAChRs composed by different α subunits, excluding α7, α9, and α10. Furthermore, according to the model, human α7β2 receptors should have Pf-values ranging from 3.6% (4:1 ratio to 0.1% (1:4 ratio, much lower than the 11.4% of homomeric α7 nAChR. These results help to understand the evolution and the function of the large diversity of the nicotinic receptor family.

  13. Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

    International Nuclear Information System (INIS)

    Auden, E.C.; Vizkelethy, G.; Serkland, D.K.; Bossert, D.J.; Doyle, B.L.

    2017-01-01

    The Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al_0_._3Ga_0_._7As/GaAs/Al_0_._2_5Ga_0_._7_5As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation as photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.

  14. Testing model energy spectra of charged particles produced in hadron interactions on the basis of atmospheric muons

    International Nuclear Information System (INIS)

    Dedenko, L. G.; Roganova, T. M.; Fedorova, G. F.

    2015-01-01

    An original method for calculating the spectrum of atmospheric muons with the aid of the CORSIKA 7.4 code package and numerical integration is proposed. The first step consists in calculating the energy distribution of muons for various fixed energies of primary-cosmic-ray particles and within several chosen hadron-interaction models included in the CORSIKA 7.4 code package. After that, the spectrum of atmospheric muons is calculated via integrating the resulting distribution densities with the chosen spectrum of primary-cosmic-ray particles. The atmospheric-muon fluxes that were calculated on the basis of the SIBYLL 2.1, QGSJET01, and QGSJET II-04 models exceed the predictions of the wellknown Gaisser approximation of this spectrum by a factor of 1.5 to 1.8 in the range of muon energies between about 10 3 and 10 4 GeV.Under the assumption that, in the region of extremely highmuon energies, a dominant contribution to the muon flux comes from one to two generations of charged π ± and K ± mesons, the production rate calculated for these mesons is overestimated by a factor of 1.3 to 1.5. This conclusion is confirmed by the results of the LHCf and TOTEM experiments

  15. Molecular interaction of selected phytochemicals under the charged environment of Plasmodium falciparum chloroquine resistance transporter (PfCRT) model.

    Science.gov (United States)

    Patel, Saumya K; Khedkar, Vijay M; Jha, Prakash C; Jasrai, Yogesh T; Pandya, Himanshu A; George, Linz-Buoy; Highland, Hyacinth N; Skelton, Adam A

    2016-01-01

    Phytochemicals of Catharanthus roseus Linn. and Tylophora indica have been known for their inhibition of malarial parasite, Plasmodium falciparum in cell culture. Resistance to chloroquine (CQ), a widely used antimalarial drug, is due to the CQ resistance transporter (CRT) system. The present study deals with computational modeling of Plasmodium falciparum chloroquine resistance transporter (PfCRT) protein and development of charged environment to mimic a condition of resistance. The model of PfCRT was developed using Protein homology/analogy engine (PHYRE ver 0.2) and was validated based on the results obtained using PSI-PRED. Subsequently, molecular interactions of selected phytochemicals extracted from C. roseus Linn. and T. indica were studied using multiple-iterated genetic algorithm-based docking protocol in order to investigate the translocation of these legends across the PfCRT protein. Further, molecular dynamics studies exhibiting interaction energy estimates of these compounds within the active site of the protein showed that compounds are more selective toward PfCRT. Clusters of conformations with the free energy of binding were estimated which clearly demonstrated the potential channel and by this means the translocation across the PfCRT is anticipated.

  16. Optimal Site Selection of Electric Vehicle Charging Stations Based on a Cloud Model and the PROMETHEE Method

    Directory of Open Access Journals (Sweden)

    Yunna Wu

    2016-03-01

    Full Text Available The task of site selection for electric vehicle charging stations (EVCS is hugely important from the perspective of harmonious and sustainable development. However, flaws and inadequacies in the currently used multi-criteria decision making methods could result in inaccurate and irrational decision results. First of all, the uncertainty of the information cannot be described integrally in the evaluation of the EVCS site selection. Secondly, rigorous consideration of the mutual influence between the various criteria is lacking, which is mainly evidenced in two aspects: one is ignoring the correlation, and the other is the unconscionable measurements. Last but not least, the ranking method adopted in previous studies is not very appropriate for evaluating the EVCS site selection problem. As a result of the above analysis, a Preference Ranking Organization Method for Enrichment Evaluations (PROMETHEE method-based decision system combined with the cloud model is proposed in this paper for EVCS site selection. Firstly, the use of the PROMETHEE method can bolster the confidence and visibility for decision makers. Secondly, the cloud model is recommended to describe the fuzziness and randomness of linguistic terms integrally and accurately. Finally, the Analytical Network Process (ANP method is adopted to measure the correlation of the indicators with a greatly simplified calculation of the parameters and the steps required.

  17. Interplay of electrostatics and lipid packing determines the binding of charged polymer coated nanoparticles to model membranes.

    Science.gov (United States)

    Biswas, Nupur; Bhattacharya, Rupak; Saha, Arindam; Jana, Nikhil R; Basu, Jaydeep K

    2015-10-07

    Understanding of nanoparticle-membrane interactions is useful for various applications of nanoparticles like drug delivery and imaging. Here we report on the studies of interaction between hydrophilic charged polymer coated semiconductor quantum dot nanoparticles with model lipid membranes. Atomic force microscopy and X-ray reflectivity measurements suggest that cationic nanoparticles bind and penetrate bilayers of zwitterionic lipids. Penetration and binding depend on the extent of lipid packing and result in the disruption of the lipid bilayer accompanied by enhanced lipid diffusion. On the other hand, anionic nanoparticles show minimal membrane binding although, curiously, their interaction leads to reduction in lipid diffusivity. It is suggested that the enhanced binding of cationic QDs at higher lipid packing can be understood in terms of the effective surface potential of the bilayers which is tunable through membrane lipid packing. Our results bring forth the subtle interplay of membrane lipid packing and electrostatics which determine nanoparticle binding and penetration of model membranes with further implications for real cell membranes.

  18. Modeling charge collection efficiency degradation in partially depleted GaAs photodiodes using the 1- and 2-carrier Hecht equations

    Energy Technology Data Exchange (ETDEWEB)

    Auden, E.C., E-mail: eauden@sandia.gov; Vizkelethy, G.; Serkland, D.K.; Bossert, D.J.; Doyle, B.L.

    2017-05-15

    The Hecht equation can be used to model the nonlinear degradation of charge collection efficiency (CCE) in response to radiation-induced displacement damage in both fully and partially depleted GaAs photodiodes. CCE degradation is measured for laser-generated photocurrent as a function of fluence and bias in Al{sub 0.3}Ga{sub 0.7}As/GaAs/Al{sub 0.25}Ga{sub 0.75}As p-i-n photodiodes which have been irradiated with 12 MeV C and 7.5 MeV Si ions. CCE is observed to degrade more rapidly with fluence in partially depleted photodiodes than in fully depleted photodiodes. When the intrinsic GaAs layer is fully depleted, the 2-carrier Hecht equation describes CCE degradation as photogenerated electrons and holes recombine at defect sites created by radiation damage in the depletion region. If the GaAs layer is partially depleted, CCE degradation is more appropriately modeled as the sum of the 2-carrier Hecht equation applied to electrons and holes generated within the depletion region and the 1-carrier Hecht equation applied to minority carriers that diffuse from the field-free (non-depleted) region into the depletion region. Enhanced CCE degradation is attributed to holes that recombine within the field-free region of the partially depleted intrinsic GaAs layer before they can diffuse into the depletion region.

  19. A relativistic self-consistent model for studying enhancement of space charge limited field emission due to counter-streaming ions

    International Nuclear Information System (INIS)

    Lin, M. C.; Lu, P. S.; Chang, P. C.; Ragan-Kelley, B.; Verboncoeur, J. P.

    2014-01-01

    Recently, field emission has attracted increasing attention despite the practical limitation that field emitters operate below the Child-Langmuir space charge limit. By introducing counter-streaming ion flow to neutralize the electron charge density, the space charge limited field emission (SCLFE) current can be dramatically enhanced. In this work, we have developed a relativistic self-consistent model for studying the enhancement of SCLFE by a counter-streaming ion current. The maximum enhancement is found when the ion effect is saturated, as shown analytically. The solutions in non-relativistic, intermediate, and ultra-relativistic regimes are obtained and verified with 1-D particle-in-cell simulations. This self-consistent model is general and can also serve as a benchmark or comparison for verification of simulation codes, as well as extension to higher dimensions

  20. Theoretical models of the spin-dependent charge-carrier dynamics in metals and semiconductors

    International Nuclear Information System (INIS)

    Krauss, Michael

    2010-01-01

    -spots'', which are an important characteristic of the spin-orbit interaction in the hole system. Based on the results for holes in GaAs, we have introduced a model for the laser-induced ultrafast demagnetization in the ferromagnetic transition metals cobalt and nickel. Our approach is based on an Elliott-Yafet-type mechanism, i.e., it describes spin-dependent dynamics due to (mainly electron-electron) scattering transitions between states including the spin-orbit interaction. By incorporating details of the optical excitation and scattering mechanisms as well as a sufficiently realistic single-particle band structure we obtain a good agreement with experimental results for the magnitude and time scale of the demagnetization in cobalt and nickel. The last part of this thesis is concerned with an attempt to include correlations of a magnetic type and to go beyond the scattering dynamics in single-particle band structures. We investigate model systems with parameters typical of ferromagnetic semiconductors. We examine correlated spin dynamics in a one-dimensional Kondo-lattice system, and explore the ground state properties by computing the relevant two-particle correlation functions starting from an uncorrelated initial state. (orig.)

  1. Managing charging loads of electric vehicles by monetary incentives. A model-based optimization; Monetaere Anreize zur Steuerung der Ladelast von Elektrofahrzeugen. Eine modellgestuetzte Optimierung

    Energy Technology Data Exchange (ETDEWEB)

    Paetz, Alexandra-Gwyn; Kaschub, Thomas; Kopp, Martin; Jochem, Patrick; Fichtner, Wolf [Karlsruher Institut fuer Technologie, Karlsruhe (Germany). Inst. fuer Industriebetriebslehre und Industrielle Produktion

    2013-03-15

    Electric mobility is supposed to contribute to climate policy targets by reducing CO{sub 2}-emissions in the transportation sector. Increasing penetration rates of electric vehicles (EV) can lead to new challenges in the electricity sector, especially with regard to local distribution networks. Thus the management of charging loads is discussed as a key issue in energy economics. Due to their long parking times, high electricity and power demand, EV seem to be predestined for load management. Monetary incentives as dynamic pricing can be suitable for that: They reflect the current supply situation, pass the information to the consumers and can thus lead to a corresponding charging behaviour. In this article we analyse this interaction between dynamic pricing and charging loads. For this reason we have developed the optimization model DS-Opt+. It models a total number of 4,000 households in two residential areas of a major city with regard to its electricity demand, its mobility behaviour and its equipment of photovoltaic systems. Four different pricing models are tested for their effects on charging behaviour and thus the total load of the residential area. The results illustrate that only fairly high penetration rates of EV lead to remarkably higher electricity demand and require some load management. The tested dynamic pricing models are suitable for influencing charging loads; load-based tariffs are best in achieving a balanced load curve. In our analysis uncontrolled charging strategies are superior regarding a balanced load curve than controlled strategies by time-varying tariffs. Our results lead to several implications relevant for the energy industry and further research.

  2. Charge orders in organic charge-transfer salts

    International Nuclear Information System (INIS)

    Kaneko, Ryui; Valentí, Roser; Tocchio, Luca F; Becca, Federico

    2017-01-01

    Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as κ -(BEDT-TTF) 2 Cu[N(CN) 2 ]Cl, we investigate magnetic and charge-ordered phases that emerge in an extended two-orbital Hubbard model on the anisotropic triangular lattice at 3/4 filling. This model takes into account the presence of two organic BEDT-TTF molecules, which form a dimer on each site of the lattice, and includes short-range intramolecular and intermolecular interactions and hoppings. By using variational wave functions and quantum Monte Carlo techniques, we find two polar states with charge disproportionation inside the dimer, hinting to ferroelectricity. These charge-ordered insulating phases are stabilized in the strongly correlated limit and their actual charge pattern is determined by the relative strength of intradimer to interdimer couplings. Our results suggest that ferroelectricity is not driven by magnetism, since these polar phases can be stabilized also without antiferromagnetic order and provide a possible microscopic explanation of the experimental observations. In addition, a conventional dimer-Mott state (with uniform density and antiferromagnetic order) and a nonpolar charge-ordered state (with charge-rich and charge-poor dimers forming a checkerboard pattern) can be stabilized in the strong-coupling regime. Finally, when electron–electron interactions are weak, metallic states appear, with either uniform charge distribution or a peculiar 12-site periodicity that generates honeycomb-like charge order. (paper)

  3. Scattering of massless lumps and non-local charges in the two-dimensional classical non-linear sigma-model

    International Nuclear Information System (INIS)

    Luescher, M.; Pohlmeyer, K.

    1977-09-01

    Finite energy solutions of the field equations of the non-linear sigma-model are shown to decay asymptotically into massless lumps. By means of a linear eigenvalue problem connected with the field equations we then find an infinite set of dynamical conserved charges. They, however, do not provide sufficient information to decode the complicated scattering of lumps. (orig.) [de

  4. Study on the influence of package parasitics and substrate resistance on the Charged Device Model(CDM) failure levels - possible protection methodology

    NARCIS (Netherlands)

    Sowariraj, M.S.B.; Smedes, Theo; Salm, Cora; Mouthaan, A.J.; Kuper, F.G.

    2003-01-01

    Charged Device Model (CDM) type of Electrostatic Discharge (ESD) stress events are becoming the major reason for field returns in the Integrated Circuit (IC) industry especially with downscaling of device dimensions and increased usage of automated handlers. In the case of CDM stress, the IC is both

  5. Quantum non-local charges and absence of particle production in the two-dimensional non-linear sigma-model

    International Nuclear Information System (INIS)

    Luescher, M.

    1977-12-01

    Conserved non-local charges are shown to exist in the quantum non-linear sigma-model by a non-perturbative method. They imply the absence of particle production and the 'factorization equations' for the two particle S-matrix, which can then be calculated explicitly. (Auth.)

  6. Atomic scale simulations of pyrochlore oxides with a tight-binding variable-charge model: implications for radiation tolerance

    International Nuclear Information System (INIS)

    Sattonnay, G; Tétot, R

    2014-01-01

    Atomistic simulations with new interatomic potentials derived from a tight-binding variable-charge model were performed in order to investigate the lattice properties and the defect formation energies in Gd 2 Ti 2 O 7 and Gd 2 Zr 2 O 7 pyrochlores. The main objective was to determine the role played by the defect stability on the radiation tolerance of these compounds. Calculations show that the titanate has a more covalent character than the zirconate. Moreover, the properties of oxygen Frenkel pairs, cation antisite defects and cation Frenkel pairs were studied. In Gd 2 Ti 2 O 7 the cation antisite defect and the Ti-Frenkel pair are not stable: they evolve towards more stable defect configurations during the atomic relaxation process. This phenomenon is driven by a decrease of the Ti coordination number down to five which leads to a local atomic reorganization and strong structural distortions around the defects. These kinds of atomic rearrangements are not observed around defects in Gd 2 Zr 2 O 7 . Therefore, the defect stability in A 2 B 2 O 7 depends on the ability of B atoms to accommodate high coordination number (higher than six seems impossible for Ti). The accumulation of structural distortions around Ti-defects due to this phenomenon could drive the Gd 2 Ti 2 O 7 amorphization induced by irradiation. (paper)

  7. Shell-model computed cross sections for charged-current scattering of astrophysical neutrinos off 40Ar

    Science.gov (United States)

    Kostensalo, Joel; Suhonen, Jouni; Zuber, K.

    2018-03-01

    Charged-current (anti)neutrino-40Ar cross sections for astrophysical neutrinos have been calculated. The initial and final nuclear states were calculated using the nuclear shell model. The folded solar-neutrino scattering cross section was found to be 1.78 (23 ) ×10-42cm2 , which is higher than what the previous papers have reported. The contributions from the 1- and 2- multipoles were found to be significant at supernova-neutrino energies, confirming the random-phase approximation (RPA) result of a previous study. The effects of neutrino flavor conversions in dense stellar matter (matter oscillations) were found to enhance the neutrino-scattering cross sections significantly for both the normal and inverted mass hierarchies. For the antineutrino scattering, only a small difference between the nonoscillating and inverted-hierarchy cross sections was found, while the normal-hierarchy cross section was 2-3 times larger than that of the nonoscillating cross section, depending on the adopted parametrization of the Fermi-Dirac distribution. This property of the supernova-antineutrino signal could probably be used to distinguish between the two hierarchies in megaton LAr detectors.

  8. Dense baryon matter with isospin and chiral imbalance in the framework of a NJL4 model at large Nc: Duality between chiral symmetry breaking and charged pion condensation

    Science.gov (United States)

    Khunjua, T. G.; Klimenko, K. G.; Zhokhov, R. N.

    2018-03-01

    In this paper the phase structure of dense quark matter has been investigated at zero temperature in the presence of baryon, isospin and chiral isospin chemical potentials in the framework of massless (3 +1 )-dimensional Nambu-Jona-Lasinio model with two quark flavors. It has been shown that in the large-Nc limit (Nc is the number of colors of quarks) there exists a duality correspondence between the chiral symmetry breaking phase and the charged pion condensation one. The key conclusion of our studies is the fact that chiral isospin chemical potential generates charged pion condensation in dense quark matter with isotopic asymmetry.

  9. The tight binding model study of the role of band filling on the charge gap in graphene-on-substrate in paramagnetic state

    Science.gov (United States)

    Panda, Rudrashish; Sahu, Sivabrata; Rout, G. C.

    2017-05-01

    We communicate here a tight binding theoretical model study of the band filling effect on the charge gap in graphene-on-substrate. The Hamiltonian consists of nearest neighbor electron hopping and substrate induced gap. Besides this the Coulomb interaction is considered here within mean-field approximation in the paramagnetic limit. The electron occupancies at two sublattices are calculated by Green's function technique and are solved self consistently. Finally the charge gap i.e. Δ ¯=U [ - ] is calculated and computed numerically. The results are reported.

  10. An on-line estimation of battery pack parameters and state-of-charge using dual filters based on pack model

    International Nuclear Information System (INIS)

    Zhang, Xu; Wang, Yujie; Yang, Duo; Chen, Zonghai

    2016-01-01

    Accurate estimation of battery pack state-of-charge plays a very important role for electric vehicles, which directly reflects the behavior of battery pack usage. However, the inconsistency of battery makes the estimation of battery pack state-of-charge different from single cell. In this paper, to estimate the battery pack state-of-charge on-line, the definition of battery pack is proposed, and the relationship between the total available capacity of battery pack and single cell is put forward to analyze the energy efficiency influenced by battery inconsistency, then a lumped parameter battery model is built up to describe the dynamic behavior of battery pack. Furthermore, the extend Kalman filter-unscented Kalman filter algorithm is developed to identify the parameters of battery pack and forecast state-of-charge concurrently. The extend Kalman filter is applied to update the battery pack parameters by real-time measured data, while the unscented Kalman filter is employed to estimate the battery pack state-of-charge. Finally, the proposed approach is verified by experiments operated on the lithium-ion battery under constant current condition and the dynamic stress test profiles. Experimental results indicate that the proposed method can estimate the battery pack state-of-charge with high accuracy. - Highlights: • A novel space state equation is built to describe the pack dynamic behavior. • The dual filters method is used to estimate the pack state-of-charge. • Battery inconsistency is considered to analyze the pack usage efficiency. • The accuracy of the proposed method is verified under different conditions.

  11. Modeling the Magnetospheric X-ray Emission from Solar Wind Charge Exchange with Verification from XMM-Newton Observations

    Science.gov (United States)

    2016-08-26

    Earth (i.e., hydrogen) to a heavy , high charge state, ion in the solarwind. The electron can be captured in an excited state and transition to lower... heavy ions , Geophys Res. Lett., 24, 105–109, doi:10.1029/96GL03780. Cravens, T. E. (2000), Heliospheric X-ray emission associated with charge transfer...quantifying charge exchange from other ions with emission lines around the 1 4 keV band have also been performed, though the lack of cross-sectional

  12. Modelling of the concentration-time relationship based on global diffusion-charge transfer parameters in a flow-by reactor with a 3D electrode

    International Nuclear Information System (INIS)

    Nava, J.L.; Sosa, E.; Carreno, G.; Ponce-de-Leon, C.; Oropeza, M.T.

    2006-01-01

    A concentration versus time relationship model based on the isothermal diffusion-charge transfer mechanism was developed for a flow-by reactor with a three-dimensional (3D) reticulated vitreous carbon (RVC) electrode. The relationship was based on the effectiveness factor (η) which lead to the simulation of the concentration decay at different electrode polarisation conditions, i.e. -0.1, -0.3 and -0.59 V versus SCE; the charge transfer process was used for the former and mix and a mass transport control was used for the latter. Charge transfer and mass transport parameters were estimated from experimental data using Electrochemical Impedance Spectroscopy (EIS) and Linear Voltammetry (LV) techniques, respectively

  13. Modelling of the concentration-time relationship based on global diffusion-charge transfer parameters in a flow-by reactor with a 3D electrode

    Energy Technology Data Exchange (ETDEWEB)

    Nava, J.L. [Universidad Autonoma Metropolitana-Iztapalapa, Departamento de Quimica, Av. San Rafael Atlixco 186, A.P. 55-534, C.P. 09340, Mexico D.F. (Mexico); Sosa, E. [Instituto Mexicano del Petroleo, Programa de Investigacion en Ingenieria Molecular, Eje Central 152, C.P. 07730, Mexico D.F. (Mexico); Carreno, G. [Universidad de Guanajuato, Facultad de Ingenieria en Geomatica e Hidraulica, Av. Juarez 77, C.P. 36000, Guanajuato, Gto. (Mexico); Ponce-de-Leon, C. [Electrochemical Engineering Group, School of Engineering Sciences, University of Southampton, Highfield, Southampton SO17 1BJ (United Kingdom)]. E-mail: capla@soton.ac.uk; Oropeza, M.T. [Centro de Graduados e Investigacion del Instituto Tecnologico de Tijuana, Blvd. Industrial, s/n, C.P. 22500, Tijuana B.C. (Mexico)

    2006-05-25

    A concentration versus time relationship model based on the isothermal diffusion-charge transfer mechanism was developed for a flow-by reactor with a three-dimensional (3D) reticulated vitreous carbon (RVC) electrode. The relationship was based on the effectiveness factor ({eta}) which lead to the simulation of the concentration decay at different electrode polarisation conditions, i.e. -0.1, -0.3 and -0.59 V versus SCE; the charge transfer process was used for the former and mix and a mass transport control was used for the latter. Charge transfer and mass transport parameters were estimated from experimental data using Electrochemical Impedance Spectroscopy (EIS) and Linear Voltammetry (LV) techniques, respectively.

  14. Impact of electron delocalization on the nature of the charge-transfer states in model pentacene/C60 Interfaces: A density functional theory study

    KAUST Repository

    Yang, Bing

    2014-12-04

    Electronic delocalization effects have been proposed to play a key role in photocurrent generation in organic photovoltaic devices. Here, we study the role of charge delocalization on the nature of the charge-transfer (CT) states in the case of model complexes consisting of several pentacene molecules and one fullerene (C60) molecule, which are representative of donor/acceptor heterojunctions. The energies of the CT states are examined by means of time-dependent density functional theory (TD-DFT) using the long-range-corrected functional, ωB97X, with an optimized range-separation parameter, ω. We provide a general description of how the nature of the CT states is impacted by molecular packing (i.e., interfacial donor/acceptor orientations), system size, and intermolecular interactions, features of importance in the understanding of the charge-separation mechanism.

  15. ɛ '/ ɛ anomaly and neutron EDM in SU(2) L × SU(2) R × U(1) B- L model with charge symmetry

    Science.gov (United States)

    Haba, Naoyuki; Umeeda, Hiroyuki; Yamada, Toshifumi

    2018-05-01

    The Standard Model prediction for ɛ '/ ɛ based on recent lattice QCD results exhibits a tension with the experimental data. We solve this tension through W R + gauge boson exchange in the SU(2) L × SU(2) R × U(1) B- L model with `charge symmetry', whose theoretical motivation is to attribute the chiral structure of the Standard Model to the spontaneous breaking of SU(2) R × U(1) B- L gauge group and charge symmetry. We show that {M_W}{_R}study a correlation between ɛ ' /ɛ and the neutron EDM. We confirm that the model can solve the ɛ ' /ɛ anomaly without conflicting the current bound on the neutron EDM, and further reveal that almost all parameter regions in which the ɛ ' /ɛ anomaly is explained will be covered by future neutron EDM searches, which leads us to anticipate the discovery of the neutron EDM.

  16. Charging and discharging tests for obtaining an accurate dynamic electro-thermal model of high power lithium-ion pack system for hybrid and EV applications

    DEFF Research Database (Denmark)

    Mihet-Popa, Lucian; Camacho, Oscar Mauricio Forero; Nørgård, Per Bromand

    2013-01-01

    This paper presents a battery test platform including two Li-ion battery designed for hybrid and EV applications, and charging/discharging tests under different operating conditions carried out for developing an accurate dynamic electro-thermal model of a high power Li-ion battery pack system....... The aim of the tests has been to study the impact of the battery degradation and to find out the dynamic characteristics of the cells including nonlinear open circuit voltage, series resistance and parallel transient circuit at different charge/discharge currents and cell temperature. An equivalent...... circuit model, based on the runtime battery model and the Thevenin circuit model, with parameters obtained from the tests and depending on SOC, current and temperature has been implemented in MATLAB/Simulink and Power Factory. A good alignment between simulations and measurements has been found....

  17. When is a heavy quark not a parton? Charged Higgs production and heavy quark mass effects in the QCD-based parton model

    International Nuclear Information System (INIS)

    Olness, F.I.; Tung, Wu-Ki

    1989-10-01

    Applications of the QCD-based parton model to new physics processes involving heavy partons are illustrated using charged Higgs production. The naive parton model predictions are found to over-estimate the actual cross section by a factor of 2 to 5. The role of the top quark as a ''parton'' is examined, and the energy range over which heavy quarks (or other particles) should or should not be naturally treated as ''partons'' is delineated. 12 refs., 5 figs

  18. One-Dimensional Brownian Motion of Charged Nanoparticles along Microtubules: A Model System for Weak Binding Interactions

    OpenAIRE

    Minoura, Itsushi; Katayama, Eisaku; Sekimoto, Ken; Muto, Etsuko

    2010-01-01

    Various proteins are known to exhibit one-dimensional Brownian motion along charged rodlike polymers, such as microtubules (MTs), actin, and DNA. The electrostatic interaction between the proteins and the rodlike polymers appears to be crucial for one-dimensional Brownian motion, although the underlying mechanism has not been fully clarified. We examined the interactions of positively-charged nanoparticles composed of polyacrylamide gels with MTs. These hydrophilic nanoparticles bound to MTs ...

  19. Combined effects of headgroup charge and tail unsaturation of lipids on lateral organization and diffusion of lipids in model biomembranes

    International Nuclear Information System (INIS)

    Chen Xiao-Jie; Liang Qing

    2017-01-01

    Lateral organization and dynamics of lipids in plasma membranes are crucial for several cellular processes such as signal transduction across the membrane and still remain elusive. In this paper, using coarse-grained molecular dynamics simulation, we theoretically study the combined effects of headgroup charge and tail unsaturation of lipids on the lateral organization and diffusion of lipids in ternary lipid bilayers. In neutral ternary lipid bilayers composed of saturated lipids, unsaturated lipids, and cholesterols, under the conditions of given temperature and components, the main factor for the phase separation is the unsaturation of unsaturated lipids and the bilayers can be separated into liquid-ordered domains enriched in saturated lipids and cholesterols and liquid-disordered domains enriched in unsaturated lipids. Once the headgroup charge is introduced, the electrostatic repulsion between the negatively charged lipid headgroups will increase the distance between the charged lipids. We find that the lateral organization and diffusion of the lipids in the (partially) charged ternary lipid bilayers are determined by the competition between the headgroup charge and the unsaturation of the unsaturated lipids. In the bilayers containing unsaturated lipids with lower unsaturation, the headgroup charge plays a crucial role in the lateral organization and diffusion of lipids. The headgroup charge may make the lipid domains unstable and even can suppress phase separation of the lipids in some systems. However, in the bilayers containing highly unsaturated lipids, the lateral organization and diffusion of lipids are mainly dominated by the unsaturation of the unsaturated lipids. This work may provide some theoretical insights into understanding the formation of nanosized domains and lateral diffusion of lipids in plasma membranes. (paper)

  20. Modelling altered revenue function based on varying power consumption distribution and electricity tariff charge using data analytics framework

    Science.gov (United States)

    Zainudin, W. N. R. A.; Ramli, N. A.

    2017-09-01

    In 2010, Energy Commission (EC) had introduced Incentive Based Regulation (IBR) to ensure sustainable Malaysian Electricity Supply Industry (MESI), promotes transparent and fair returns, encourage maximum efficiency and maintains policy driven end user tariff. To cater such revolutionary transformation, a sophisticated system to generate policy driven electricity tariff structure is in great need. Hence, this study presents a data analytics framework that generates altered revenue function based on varying power consumption distribution and tariff charge function. For the purpose of this study, the power consumption distribution is being proxy using proportion of household consumption and electricity consumed in KwH and the tariff charge function is being proxy using three-tiered increasing block tariff (IBT). The altered revenue function is useful to give an indication on whether any changes in the power consumption distribution and tariff charges will give positive or negative impact to the economy. The methodology used for this framework begins by defining the revenue to be a function of power consumption distribution and tariff charge function. Then, the proportion of household consumption and tariff charge function is derived within certain interval of electricity power. Any changes in those proportion are conjectured to contribute towards changes in revenue function. Thus, these changes can potentially give an indication on whether the changes in power consumption distribution and tariff charge function are giving positive or negative impact on TNB revenue. Based on the finding of this study, major changes on tariff charge function seems to affect altered revenue function more than power consumption distribution. However, the paper concludes that power consumption distribution and tariff charge function can influence TNB revenue to some great extent.

  1. On the connection between the macroscopical and microscopical evolution in an exactly soluble hopping model. II. Charged particles

    International Nuclear Information System (INIS)

    Banyai, L.; Gartner, P.

    1979-07-01

    The hopping rate equation for charged particles with self-consistent Coulomb interaction on an arbitrary periodic lattice can be solved exactly. It is shown that if one scales the time t and the distances x (including the characteristic length l as t → lambda 2 t, x → lambda x), then in the lambda → infinity limit the charge density and the potential tend to their macroscopical electrodynamic counterparts faster than lambda sup(-3) and lambda sup(-1) respectively. (author)

  2. DEM modeling of ball mills with experimental validation: influence of contact parameters on charge motion and power draw

    Science.gov (United States)

    Boemer, Dominik; Ponthot, Jean-Philippe

    2017-01-01

    Discrete element method simulations of a 1:5-scale laboratory ball mill are presented in this paper to study the influence of the contact parameters on the charge motion and the power draw. The position density limit is introduced as an efficient mathematical tool to describe and to compare the macroscopic charge motion in different scenarios, i.a. with different values of the contact parameters. While the charge motion and the power draw are relatively insensitive to the stiffness and the damping coefficient of the linear spring-slider-damper contact law, the coefficient of friction has a strong influence since it controls the sliding propensity of the charge. Based on the experimental calibration and validation by charge motion photographs and power draw measurements, the descriptive and predictive capabilities of the position density limit and the discrete element method are demonstrated, i.e. the real position of the charge is precisely delimited by the respective position density limit and the power draw can be predicted with an accuracy of about 5 %.

  3. A systematic Monte Carlo simulation study of the primitive model planar electrical double layer over an extended range of concentrations, electrode charges, cation diameters and valences

    Science.gov (United States)

    Valiskó, Mónika; Kristóf, Tamás; Gillespie, Dirk; Boda, Dezső

    2018-02-01

    The purpose of this study is to provide data for the primitive model of the planar electrical double layer, where ions are modeled as charged hard spheres, the solvent as an implicit dielectric background (with dielectric constant ɛ = 78.5), and the electrode as a smooth, uniformly charged, hard wall. We use canonical and grand canonical Monte Carlo simulations to compute the concentration profiles, from which the electric field and electrostatic potential profiles are obtained by solving Poisson's equation. We report data for an extended range of parameters including 1:1, 2:1, and 3:1 electrolytes at concentrations c = 0.0001 - 1 M near electrodes carrying surface charges up to σ = ±0.5 Cm-2. The anions are monovalent with a fixed diameter d- = 3 Å, while the charge and diameter of cations are varied in the range z+ = 1, 2, 3 and d+ = 1.5, 3, 6, and 9 Å (the temperature is 298.15 K). We provide all the raw data in the supplementary material (ftp://ftp.aip.org/epaps/aip_advances/E-AAIDBI-8-084802">supplementary material).

  4. A systematic Monte Carlo simulation study of the primitive model planar electrical double layer over an extended range of concentrations, electrode charges, cation diameters and valences

    Directory of Open Access Journals (Sweden)

    Mónika Valiskó

    2018-02-01

    Full Text Available The purpose of this study is to provide data for the primitive model of the planar electrical double layer, where ions are modeled as charged hard spheres, the solvent as an implicit dielectric background (with dielectric constant ϵ = 78.5, and the electrode as a smooth, uniformly charged, hard wall. We use canonical and grand canonical Monte Carlo simulations to compute the concentration profiles, from which the electric field and electrostatic potential profiles are obtained by solving Poisson’s equation. We report data for an extended range of parameters including 1:1, 2:1, and 3:1 electrolytes at concentrations c = 0.0001 − 1 M near electrodes carrying surface charges up to σ = ±0.5 Cm−2. The anions are monovalent with a fixed diameter d− = 3 Å, while the charge and diameter of cations are varied in the range z+ = 1, 2, 3 and d+ = 1.5, 3, 6, and 9 Å (the temperature is 298.15 K. We provide all the raw data in the supplementary material.

  5. Meteor smoke influences on the D-region charge balance – review of recent in situ measurements and one-dimensional model results

    Directory of Open Access Journals (Sweden)

    C. Baumann

    2013-11-01

    Full Text Available This work investigates the influence of meteoric smoke particles (MSP on the charge balance in the D-region ionosphere. Both experimental in situ measurements and a one-dimensional ionospheric model reveal a clear impact of MSP on the ionospheric composition of the D-region. The study reviews rocket-borne in situ measurements of electron and positive ion density, which show a distinct deficit of electrons in comparison to positive ions between 80 and 95 km. This deficit can be explained by the ambient negatively charged MSP measured simultaneously with a Faraday cup. The influence of MSP on the D-region charge balance is addressed with a simplified ionospheric model with only six components, i.e. electrons, positive and negative ions and neutral and charged MSP (both signs. The scheme includes reactions of plasma captured by MSP and MSP photo reactions as well as the standard ionospheric processes, e.g. ion-ion recombination. The model shows that the capture of plasma constituents by MSP is an important process leading to scavenging of electrons. Since Faraday cup measurements are biased towards heavy MSP because of aerodynamical filtering, we have applied an estimate of this filter on the modelled MSP densities. By doing that, we find good qualitative agreement between the experimental data and our model results. In addition, the model study reveals an increase of positive ions in the presence of MSP. That is primarily caused by the reduced dissociative recombination with electrons which have been removed from the gas phase by the MSP.

  6. Shell model for REO{sub x} nanoclusters in amorphous SiO{sub 2}: charge trapping and electroluminescence quenching

    Energy Technology Data Exchange (ETDEWEB)

    Tiagulskyi, S.; Nazarov, A.; Tyagulskii, I.; Lysenko, V. [Lashkaryov Institute of Semiconductor Physics, National Academy of Sciences of Ukraine, Prospekt Nauki 41, 03028 Kiev (Ukraine); Rebohle, L.; Lehmann, J.; Skorupa, W. [Institute of Ion Beam Physics and Materials Research, Helmholtz-Zentrum Dresden Rossendorf e.V., POB 510119, 01314 Dresden (Germany)

    2012-06-15

    In this work charge trapping and electroluminescence (EL) quenching in rare-earth (RE) implanted SiO{sub 2} on Si as a function of injected charge into the dielectric were studied. The blocking of the luminescent REO{sub X} nanoclusters from the hot exciting electrons by negative charge trapping in a defect region (shell) located in the vicinity of the REO{sub X} nanocluster/SiO{sub 2} interface is considered as the main mechanism of EL quenching for small size (up to 10 nm) REO{sub X} nanoclusters. It is suggested that the increase of the nanoclusters size results in disordering of the SiO{sub 2} matrix but in a decrease of local blocking for excitation of the luminescent centers. (copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  7. Charge imbalance: its relaxation, diffusion and oscillation

    International Nuclear Information System (INIS)

    Pethick, C.J.

    1981-01-01

    In this article, the authors use a model for charge density based on two charge components: the normal quasiparticle component and the superfluid/condensate component. Based on the quasiparticle Boltzmann equation, this two-component model, when used in nonequilibrium contexts, is fruitful in describing a variety of charge-imbalance phenomena in superconductors. The authors discuss various methods of generating charge-imbalances, charge-imbalance relaxation processes (such as phonons, impurity scattering and magnetic impurities) and applications of the two-component model of charge imbalance to spatially inhomogeneous conditions

  8. Discrete and continuum modeling of solvent effects in a twisted intramolecular charge transfer system: The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule.

    Science.gov (United States)

    Modesto-Costa, Lucas; Borges, Itamar

    2018-08-05

    The 4-N,N-dimethylaminobenzonitrile (DMABN) molecule is a prototypical system displaying twisted intramolecular (TICT) charge transfer effects. The ground and the first four electronic excited states (S 1 -S 4 ) in gas phase and upon solvation were studied. Charge transfer values as function of the torsion angle between the donor group (dimethylamine) and the acceptor moiety (benzonitrile) were explicitly computed. Potential energy curves were also obtained. The algebraic diagrammatic construction method at the second-order [ADC(2)] ab initio wave function was employed. Three solvents of increased polarities (benzene, DMSO and water) were investigated using discrete (average solvent electrostatic configuration - ASEC) and continuum (conductor-like screening model - COSMO) models. The results for the S 3 and S 4 excited states and the S 1 -S 4 charge transfer curves were not previously available in the literature. Electronic gas phase and solvent vertical spectra are in good agreement with previous theoretical and experimental results. In the twisted (90°) geometry the optical oscillator strengths have negligible values even for the S 2 bright state. Potential energy curves show two distinct pairs of curves intersecting at decreasing angles or not crossing in the more polar solvents. Charge transfer and electric dipole values allowed the rationalization of these results. The former effects are mostly independent of the solvent model and polarity. Although COSMO and ASEC solvent models mostly lead to similar results, there is an important difference: some crossings of the excitation energy curves appear only in the ASEC solvation model, which has important implications to the photochemistry of DMABN. Copyright © 2018 Elsevier B.V. All rights reserved.

  9. Management of water use in the Paraíba River, PB, Brazil basin based on water grants and charge models

    Directory of Open Access Journals (Sweden)

    Márcia Araújo de Almeida

    2016-11-01

    Full Text Available One of the challenges in the management of water resources is to advance water distribution mechanisms to allow them to balance the basin's available water with the demands of its various economic sectors. This research evaluated the combined use of a model of grant optimization with a proposed model of charging for the use of raw water in order to assist decision makers in the distribution of water of the Acauã Reservoir, located in the basin of the Paraiba River in the State of Paraiba, Brazil. The grant model allowed optimizing the achievement of the demand requests according to water use priorities defined in four scenarios, balancing demand and availability. It was shown that it can be used in decision-making processes in the evaluation of new grant requests in basins controlled by reservoirs. The proposed charging model incorporated various profiles of water users using various coefficients which enabled the definition of the amount to be charged to encourage the rational use of water, not just a tax collection mechanism.

  10. Charge Transport Along Phenylenevinylene Molecular Wires

    OpenAIRE

    2006-01-01

    Abstract A model to calculate the mobility of charges along molecular wires is presented. The model is based on the tight-binding approximation and combines a quantum mechanical description of the charge with a classical description of the structural degrees of freedom. It is demonstrated that the average mobility of charge carriers along molecular wires can be obtained by time-propagation of states which are initially localised. The model is used to calculate the mobility of charg...

  11. Does the concept of Clar's aromatic sextet work for dicationic forms of polycyclic aromatic hydrocarbons?--testing the model against charged systems in singlet and triplet states.

    Science.gov (United States)

    Dominikowska, Justyna; Palusiak, Marcin

    2011-07-07

    The concept of Clar's π-electron aromatic sextet was tested against a set of polycyclic aromatic hydrocarbons in neutral and doubly charged forms. Systems containing different types of rings (in the context of Clar's concept) were chosen, including benzene, naphthalene, anthracene, phenanthrene and triphenylene. In the case of dicationic structures both singlet and triplet states were considered. It was found that for singlet state dicationic structures the concept of aromatic sextet could be applied and the local aromaticity could be discussed in the context of that model, whereas in the case of triplet state dicationic structures Clar's model rather failed. Different aromaticity indices based on various properties of molecular systems were applied for the purpose of the studies. The discussion about the interdependence between the values of different aromaticity indices applied to neutral and charged systems in singlet and triplet states is also included. This journal is © the Owner Societies 2011

  12. Hidden charged dark matter

    International Nuclear Information System (INIS)

    Feng, Jonathan L.; Kaplinghat, Manoj; Tu, Huitzu; Yu, Hai-Bo

    2009-01-01

    Can dark matter be stabilized by charge conservation, just as the electron is in the standard model? We examine the possibility that dark matter is hidden, that is, neutral under all standard model gauge interactions, but charged under an exact (\\rm U)(1) gauge symmetry of the hidden sector. Such candidates are predicted in WIMPless models, supersymmetric models in which hidden dark matter has the desired thermal relic density for a wide range of masses. Hidden charged dark matter has many novel properties not shared by neutral dark matter: (1) bound state formation and Sommerfeld-enhanced annihilation after chemical freeze out may reduce its relic density, (2) similar effects greatly enhance dark matter annihilation in protohalos at redshifts of z ∼ 30, (3) Compton scattering off hidden photons delays kinetic decoupling, suppressing small scale structure, and (4) Rutherford scattering makes such dark matter self-interacting and collisional, potentially impacting properties of the Bullet Cluster and the observed morphology of galactic halos. We analyze all of these effects in a WIMPless model in which the hidden sector is a simplified version of the minimal supersymmetric standard model and the dark matter is a hidden sector stau. We find that charged hidden dark matter is viable and consistent with the correct relic density for reasonable model parameters and dark matter masses in the range 1 GeV ∼ X ∼< 10 TeV. At the same time, in the preferred range of parameters, this model predicts cores in the dark matter halos of small galaxies and other halo properties that may be within the reach of future observations. These models therefore provide a viable and well-motivated framework for collisional dark matter with Sommerfeld enhancement, with novel implications for astrophysics and dark matter searches

  13. Superconductivity, charge orderings, magnetism, and their phase separations in the ground state of lattice models of superconductor with very short coherence length

    OpenAIRE

    Kapcia, Konrad Jerzy

    2015-01-01

    This is an author-created, un-copyedited version of an article accepted for publication in Journal of Superconductivity and Novel Magnetism. We present the ground state results for lattice models of superconductor (SC) with extremely short coherence length, which also involve the interplay with charge (CO) and (anti-)ferromagnetic orderings. Our preliminary results at zero-temperature (derived by means of the variational approach which treats the on-site interaction term exactly and the in...

  14. System dynamic model and charging control of lead-acid battery for stand-alone solar PV system

    KAUST Repository

    Huang, B.J.; Hsu, P.C.; Wu, M.S.; Ho, P.Y.

    2010-01-01

    . This will reduce the storage energy capacity and reduce the service time in electricity supply. The design of charging control system however requires a good understanding of the system dynamic behaviour of the battery first. In the present study, a first

  15. Comparisons of Modeling and State of Charge Estimation for Lithium-Ion Battery Based on Fractional Order and Integral Order Methods

    Directory of Open Access Journals (Sweden)

    Renxin Xiao

    2016-03-01

    Full Text Available In order to properly manage lithium-ion batteries of electric vehicles (EVs, it is essential to build the battery model and estimate the state of charge (SOC. In this paper, the fractional order forms of Thevenin and partnership for a new generation of vehicles (PNGV models are built, of which the model parameters including the fractional orders and the corresponding resistance and capacitance values are simultaneously identified based on genetic algorithm (GA. The relationships between different model parameters and SOC are established and analyzed. The calculation precisions of the fractional order model (FOM and integral order model (IOM are validated and compared under hybrid test cycles. Finally, extended Kalman filter (EKF is employed to estimate the SOC based on different models. The results prove that the FOMs can simulate the output voltage more accurately and the fractional order EKF (FOEKF can estimate the SOC more precisely under dynamic conditions.

  16. Ab initio modeling of excitonic and charge-transfer states in organic semiconductors: the PTB1/PCBM low band gap system.

    Science.gov (United States)

    Borges, Itamar; Aquino, Adélia J A; Köhn, Andreas; Nieman, Reed; Hase, William L; Chen, Lin X; Lischka, Hans

    2013-12-11

    A detailed quantum chemical simulation of the excitonic and charge-transfer (CT) states of a bulk heterojunction model containing poly(thieno[3,4-b]thiophene benzodithiophene) (PTB1)/[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) is reported. The largest molecular model contains two stacked PTB1 trimer chains interacting with C60 positioned on top of and lateral to the (PTB1)3 stack. The calculations were performed using the algebraic diagrammatic construction method to second order (ADC(2)). One main result of the calculations is that the CT states are located below the bright inter-chain excitonic state, directly accessible via internal conversion processes. The other important aspects of the calculations are the formation of discrete bands of CT states originating from the lateral C60's and the importance of inter-chain charge delocalization for the stability of the CT states. A simple model for the charge separation step is also given, revealing the energetic feasibility of the overall photovoltaic process.

  17. Filling of charged cylindrical capillaries

    NARCIS (Netherlands)

    Das, Siddhartha; Chanda, Sourayon; Eijkel, J.C.T.; Tas, N.R.; Chakraborty, Suman; Mitra, Sushanta K.

    2014-01-01

    We provide an analytical model to describe the filling dynamics of horizontal cylindrical capillaries having charged walls. The presence of surface charge leads to two distinct effects: It leads to a retarding electrical force on the liquid column and also causes a reduced viscous drag force because

  18. Computational modeling of Metal-Organic Frameworks

    Science.gov (United States)

    Sung, Jeffrey Chuen-Fai

    In this work, the metal-organic frameworks MIL-53(Cr), DMOF-2,3-NH 2Cl, DMOF-2,5-NH2Cl, and HKUST-1 were modeled using molecular mechanics and electronic structure. The effect of electronic polarization on the adsorption of water in MIL-53(Cr) was studied using molecular dynamics simulations of water-loaded MIL-53 systems with both polarizable and non-polarizable force fields. Molecular dynamics simulations of the full systems and DFT calculations on representative framework clusters were utilized to study the difference in nitrogen adsorption between DMOF-2,3-NH2Cl and DMOF-2,5-NH 2Cl. Finally, the control of proton conduction in HKUST-1 by complexation of molecules to the Cu open metal site was investigated using the MS-EVB methodology.

  19. 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.

  20. Cooperative effects in the structuring of fluoride water clusters: Ab initio hybrid quantum mechanical/molecular mechanical model incorporating polarizable fluctuating charge solvent

    Science.gov (United States)

    Bryce, Richard A.; Vincent, Mark A.; Malcolm, Nathaniel O. J.; Hillier, Ian H.; Burton, Neil A.

    1998-08-01

    A new hybrid quantum mechanical/molecular mechanical model of solvation is developed and used to describe the structure and dynamics of small fluoride/water clusters, using an ab initio wave function to model the ion and a fluctuating charge potential to model the waters. Appropriate parameters for the water-water and fluoride-water interactions are derived, with the fluoride anion being described by density functional theory and a large Gaussian basis. The role of solvent polarization in determining the structure and energetics of F(H2O)4- clusters is investigated, predicting a slightly greater stability of the interior compared to the surface structure, in agreement with ab initio studies. An extended Lagrangian treatment of the polarizable water, in which the water atomic charges fluctuate dynamically, is used to study the dynamics of F(H2O)4- cluster. A simulation using a fixed solvent charge distribution indicates principally interior, solvated states for the cluster. However, a preponderance of trisolvated configurations is observed using the polarizable model at 300 K, which involves only three direct fluoride-water hydrogen bonds. Ab initio calculations confirm this trisolvated species as a thermally accessible state at room temperature, in addition to the tetrasolvated interior and surface structures. Extension of this polarizable water model to fluoride clusters with five and six waters gave less satisfactory agreement with experimental energies and with ab initio geometries. However, our results do suggest that a quantitative model of solvent polarization is fundamental for an accurate understanding of the properties of anionic water clusters.