Models of fast-electron penetration

International Nuclear Information System (INIS)

Perry, D.J.; Raisis, S.K.

1994-01-01

We introduce multiple scattering models of charged-particle penetration which are based on the previous analyses of Yang and Perry. Our development removes the main limitations of the Fermi-Eyges approach while retaining its considerable potential as a theory which is useful for applied work. We illustrate key predictions with sample calculations that are of particular interest in therapeutic applications, 5-20 MeV electrons incident on water. 8 refs., 5 figs

Reliability of conventional crystal field models in f-electron systems

Energy Technology Data Exchange (ETDEWEB)

Gajek, Z. [Polska Akademia Nauk, Wroclaw (Poland). Inst. Niskich Temperatur i Badan Strukturalnych

1995-03-15

Crystal field models commonly applied to explain the electronic properties of solid f-electron compounds are discussed from the point of view of their inherent limitations and the false conclusions they may lead to. Both phenomenological and ab initio approximate models are considered. The discussion is based on generalized perturbation model calculations of the crystal field parameters for europium, uranium, plutonium and neptunium ions in various crystals. The results reveal the inadequacy of various electrostatic approaches and the correctness of models based on renormalization terms. ((orig.))

Development of an Electronic Portfolio System Success Model: An Information Systems Approach

Science.gov (United States)

Balaban, Igor; Mu, Enrique; Divjak, Blazenka

2013-01-01

This research has two main goals: to develop an instrument for assessing Electronic Portfolio (ePortfolio) success and to build a corresponding ePortfolio success model using DeLone and McLean's information systems success model as the theoretical framework. For this purpose, we developed an ePortfolio success measurement instrument and structural…

Teaching Behavioral Modeling and Simulation Techniques for Power Electronics Courses

Science.gov (United States)

Abramovitz, A.

2011-01-01

This paper suggests a pedagogical approach to teaching the subject of behavioral modeling of switch-mode power electronics systems through simulation by general-purpose electronic circuit simulators. The methodology is oriented toward electrical engineering (EE) students at the undergraduate level, enrolled in courses such as "Power…

Rigorous bounds on the free energy of electron-phonon models

NARCIS (Netherlands)

Raedt, Hans De; Michielsen, Kristel

1997-01-01

We present a collection of rigorous upper and lower bounds to the free energy of electron-phonon models with linear electron-phonon interaction. These bounds are used to compare different variational approaches. It is shown rigorously that the ground states corresponding to the sharpest bounds do

Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

Science.gov (United States)

Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel

2018-04-01

We introduce a simple ansatz for the wave function of a many-body system based on coupled forward and backward propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in electron-phonon systems. The time evolution of the system is obtained from the Euler-Lagrange variational principle, and we show that this ansatz yields Ehrenfest mean-field theory in the limit that the forward and backward trajectories are orthogonal, and in the limit that they coalesce. We investigate accuracy and performance of this method by simulating electronic relaxation in the spin-boson model and the Holstein model. Although this method involves only pairs of semiclassical trajectories, it shows a substantial improvement over mean-field theory, capturing quantum coherence of nuclear dynamics as well as electron-nuclear correlations. This improvement is particularly evident in nonadiabatic systems, where the accuracy of this coupled trajectory method extends well beyond the perturbative electron-phonon coupling regime. This approach thus provides an attractive route forward to the ab initio description of relaxation processes, such as thermalization, in condensed phase systems.

Empirical modeling of high-intensity electron beam interaction with materials

Science.gov (United States)

Koleva, E.; Tsonevska, Ts; Mladenov, G.

2018-03-01

The paper proposes an empirical modeling approach to the prediction followed by optimization of the exact shape of the cross-section of a welded seam, as obtained by electron beam welding. The approach takes into account the electron beam welding process parameters, namely, electron beam power, welding speed, and distances from the magnetic lens of the electron gun to the focus position of the beam and to the surface of the samples treated. The results are verified by comparison with experimental results for type 1H18NT stainless steel samples. The ranges considered of the beam power and the welding speed are 4.2 – 8.4 kW and 3.333 – 13.333 mm/s, respectively.

Electron cyclotron current drive predictions for ITER: Comparison of different models

International Nuclear Information System (INIS)

Marushchenko, N.B.; Maassberg, H.; Beidler, C.D.; Turkin, Yu.

2007-01-01

Full text: Due to its high localization and operational flexibility, Electron Cyclotron Current Drive (ECCD) is envisaged for stabilizing the Neoclassical Tearing Mode (NTM) in tokamaks and correcting the rotational transform profile in stellarators. While the spatial location of the electron cyclotron resonant interaction is usually calculated by the ray-tracing technique, numerical tools for calculating the ECCD efficiency are not so common. Two different methods are often applied: i) direct calculation by Fokker-Planck modelling, and ii) by the adjoint approach technique. In the present report we analyze and compare different models used in the adjoint approach technique from the point of view of ITER applications. The numerical tools for calculating the ECCD efficiency developed to date do not completely cover the range of collisional regimes for the electrons involved in the current drive. Only two opposite limits are well developed, collisional and collisionless. Nevertheless, for the densities and temperatures expected for ECCD application in ITER, the collisionless limit model (with trapped particles taken into account) is quite suitable. We analyze the requisite ECCD scenarios with help of the new ray tracing code TRAVIS with the adjoint approach implemented. The (adjoint) Green's function applied for the current drive calculations is formulated with momentum conservation taken into account; this is especially important and even crucial for scenarios, in which mainly bulk electrons are responsible for absorption of the RF power. For comparison, the most common 'high speed limit' model in which the collision operator neglects the integral part and which is approximated by terms valid only for the tail electrons, produces an ECCD efficiency which is an underestimate for some cases by a factor of about 2. In order to select the appropriate model, a rough criterion of 'high speed limit' model applicability is formulated. The results are verified also by

A linear algebraic approach to electron-molecule collisions

International Nuclear Information System (INIS)

Collins, L.A.; Schnieder, B.I.

1982-01-01

The linear algebraic approach to electron-molecule collisions is examined by firstly deriving the general set of coupled integrodifferential equations that describe electron collisional processes and then describing the linear algebraic approach for obtaining a solution to the coupled equations. Application of the linear algebraic method to static-exchange, separable exchange and effective optical potential, is examined. (U.K.)

Consistent quantum approach to new laser-electron-nuclear effects in diatomic molecules

International Nuclear Information System (INIS)

Glushkov, A V; Malinovskaya, S V; Loboda, A V; Shpinareva, I M; Prepelitsa, G P

2006-01-01

We present a consistent, quantum approach to the calculation of electron-nuclear γ. spectra (set of vibrational and rotational satellites) for nuclei in diatomic molecules. The approach generelizes the well known Letokhov-Minogin model and is based on the Dunham model potential approximation for potential curves of diatomic molecules. The method is applied to the calculation of probabilities of the vibration-rotation-nuclear transitions in a case of emission and absorption spectrum for the nucleus 127 I (E γ (0) = 203 keV) linked with the molecule H 127 I

A Model-Driven Approach to e-Course Management

Science.gov (United States)

Savic, Goran; Segedinac, Milan; Milenkovic, Dušica; Hrin, Tamara; Segedinac, Mirjana

2018-01-01

This paper presents research on using a model-driven approach to the development and management of electronic courses. We propose a course management system which stores a course model represented as distinct machine-readable components containing domain knowledge of different course aspects. Based on this formally defined platform-independent…

Real-Time Robust Adaptive Modeling and Scheduling for an Electronic Commerce Server

Science.gov (United States)

Du, Bing; Ruan, Chun

With the increasing importance and pervasiveness of Internet services, it is becoming a challenge for the proliferation of electronic commerce services to provide performance guarantees under extreme overload. This paper describes a real-time optimization modeling and scheduling approach for performance guarantee of electronic commerce servers. We show that an electronic commerce server may be simulated as a multi-tank system. A robust adaptive server model is subject to unknown additive load disturbances and uncertain model matching. Overload control techniques are based on adaptive admission control to achieve timing guarantees. We evaluate the performance of the model using a complex simulation that is subjected to varying model parameters and massive overload.

Two-process approach to electron beam welding control

International Nuclear Information System (INIS)

Lastovirya, V.N.

1987-01-01

The analysis and synthesis of multi-dimensional welding control systems, which require the usage of computers, should be conducted within the temporal range. From the general control theory point two approaches - one-process and two-process - are possible to electron beam welding. In case of two-process approach, subprocesses of heat source formation and direct metal melting are separated. Two-process approach leads to two-profile control system and provides the complete controlability of electron beam welding within the frameworks of systems with concentrated, as well as, with distributed parameters. Approach choice for the given problem solution is determined, first of all, by stability degree of heat source during welding

StatSTEM: An efficient approach for accurate and precise model-based quantification of atomic resolution electron microscopy images

Energy Technology Data Exchange (ETDEWEB)

De Backer, A.; Bos, K.H.W. van den [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Van den Broek, W. [AG Strukturforschung/Elektronenmikroskopie, Institut für Physik, Humboldt-Universität zu Berlin, Newtonstraße 15, 12489 Berlin (Germany); Sijbers, J. [iMinds-Vision Lab, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Van Aert, S., E-mail: sandra.vanaert@uantwerpen.be [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium)

2016-12-15

An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighbouring columns, enabling the analysis of a large field of view. For this algorithm, the accuracy and precision with which measurements for the atomic column positions and scattering cross-sections from annular dark field (ADF) STEM images can be estimated, has been investigated. The highest attainable precision is reached even for low dose images. Furthermore, the advantages of the model-based approach taking into account overlap between neighbouring columns are highlighted. This is done for the estimation of the distance between two neighbouring columns as a function of their distance and for the estimation of the scattering cross-section which is compared to the integrated intensity from a Voronoi cell. To provide end-users this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. - Highlights: • An efficient model-based method for quantitative electron microscopy is introduced. • Images are modelled as a superposition of 2D Gaussian peaks. • Overlap between neighbouring columns is taken into account. • Structure parameters can be obtained with the highest precision and accuracy. • StatSTEM, auser friendly program (GNU public license) is developed.

Detailed modeling of electron emission for transpiration cooling of hypersonic vehicles

Science.gov (United States)

Hanquist, Kyle M.; Hara, Kentaro; Boyd, Iain D.

2017-02-01

Electron transpiration cooling (ETC) is a recently proposed approach to manage the high heating loads experienced at the sharp leading edges of hypersonic vehicles. Computational fluid dynamics (CFD) can be used to investigate the feasibility of ETC in a hypersonic environment. A modeling approach is presented for ETC, which includes developing the boundary conditions for electron emission from the surface, accounting for the space-charge limit effects of the near-wall plasma sheath. The space-charge limit models are assessed using 1D direct-kinetic plasma sheath simulations, taking into account the thermionically emitted electrons from the surface. The simulations agree well with the space-charge limit theory proposed by Takamura et al. for emitted electrons with a finite temperature, especially at low values of wall bias, which validates the use of the theoretical model for the hypersonic CFD code. The CFD code with the analytical sheath models is then used for a test case typical of a leading edge radius in a hypersonic flight environment. The CFD results show that ETC can lower the surface temperature of sharp leading edges of hypersonic vehicles, especially at higher velocities, due to the increase in ionized species enabling higher electron heat extraction from the surface. The CFD results also show that space-charge limit effects can limit the ETC reduction of surface temperatures, in comparison to thermionic emission assuming no effects of the electric field within the sheath.

Effective electron-electron and electron-phonon interactions in the Hubbard-Holstein model

International Nuclear Information System (INIS)

Aprea, G.; Di Castro, C.; Grilli, M. . E-mail marco.grilli@roma1.infn.it; Lorenzana, J.

2006-01-01

We investigate the interplay between the electron-electron and the electron-phonon interaction in the Hubbard-Holstein model. We implement the flow-equation method to investigate within this model the effect of correlation on the electron-phonon effective coupling and, conversely, the effect of phonons in the effective electron-electron interaction. Using this technique we obtain analytical momentum-dependent expressions for the effective couplings and we study their behavior for different physical regimes. In agreement with other works on this subject, we find that the electron-electron attraction mediated by phonons in the presence of Hubbard repulsion is peaked at low transferred momenta. The role of the characteristic energies involved is also analyzed

Core-electron binding energies from self-consistent field molecular orbital theory using a mixture of all-electron real atoms and valence-electron model atoms

International Nuclear Information System (INIS)

Quinn, C.M.; Schwartz, M.E.

1981-01-01

The chemistry of large systems such as clusters may be readily investigated by valence-electron theories based on model potentials, but such an approach does not allow for the examination of core-electron binding energies which are commonly measured experimentally for such systems. Here we merge our previously developed Gaussian based valence-electron model potential theory with all-electron ab initio theory to allow for the calculation of core orbital binding energies when desired. For the atoms whose cores are to be examined, we use the real nuclear changes, all of the electrons, and the appropriate many-electron basis sets. For the rest of the system we use reduced nuclear charges, the Gaussian based model potentials, only the valence electrons, and appropriate valence-electron basis sets. Detailed results for neutral Al 2 are presented for the cases of all-electron, mixed real--model, and model--model SCF--MO calculations. Several different all-electron and valence electron calculations have been done to test the use of the model potential per se, as well as the effect of basis set choice. The results are in all cases in excellent agreement with one another. Based on these studies, a set of ''double-zeta'' valence and all-electron basis functions have been used for further SCF--MO studies on Al 3 , Al 4 , AlNO, and OAl 3 . For a variety of difference combinations of real and model atoms we find excellent agreement for relative total energies, orbital energies (both core and valence), and Mulliken atomic populations. Finally, direct core-hole-state ionic calculations are reported in detail for Al 2 and AlNO, and noted for Al 3 and Al 4 . Results for corresponding frozen-orbital energy differences, relaxed SCF--MO energy differences, and relaxation energies are in all cases in excellent agreement (never differing by more than 0.07 eV, usually by somewhat less). The study clearly demonstrates the accuracy of the mixed real--model theory

Effective approaches for managing electronic records and archives

CERN Document Server

Dearstyne, Bruce W

2006-01-01

This is a book of fresh insights, perspectives, strategies, and approaches for managing electronic records and archives. The authors draw on first-hand experience to present practical solutions, including recommendations for building and sustaining strong electronic records programs.

ANALYSIS OF THEORETICAL AND METHODOLOGICAL APPROACHES TO DESIGN OF ELECTRONIC TEXTBOOKS FOR STUDENTS OF HIGHER AGRICULTURAL EDUCATIONAL INSTITUTIONS

Directory of Open Access Journals (Sweden)

Olena Yu. Balalaieva

2017-06-01

Full Text Available The article deals with theoretical and methodological approaches to the design of electronic textbook, in particular systems, competence, activity, personality oriented, technological one, that in complex reflect the general trends in the formation of a new educational paradigm, distinctive features of which lie in constructing the heuristic searching model of the learning process, focusing on developmental teaching, knowledge integration, skills development for the independent information search and processing, technification of the learning process. The approach in this study is used in a broad sense as a synthesis of the basic ideas, views, principles that determine the overall research strategy. The main provisions of modern approaches to design are not antagonistic, they should be applied in a complex, taking into account the advantages of each of them and leveling shortcomings for the development of optimal concept of electronic textbook. The model of electronic textbook designing and components of methodology for its using based on these approaches are described.

A deterministic partial differential equation model for dose calculation in electron radiotherapy.

Science.gov (United States)

Duclous, R; Dubroca, B; Frank, M

2010-07-07

High-energy ionizing radiation is a prominent modality for the treatment of many cancers. The approaches to electron dose calculation can be categorized into semi-empirical models (e.g. Fermi-Eyges, convolution-superposition) and probabilistic methods (e.g.Monte Carlo). A third approach to dose calculation has only recently attracted attention in the medical physics community. This approach is based on the deterministic kinetic equations of radiative transfer. We derive a macroscopic partial differential equation model for electron transport in tissue. This model involves an angular closure in the phase space. It is exact for the free streaming and the isotropic regime. We solve it numerically by a newly developed HLLC scheme based on Berthon et al (2007 J. Sci. Comput. 31 347-89) that exactly preserves the key properties of the analytical solution on the discrete level. We discuss several test cases taken from the medical physics literature. A test case with an academic Henyey-Greenstein scattering kernel is considered. We compare our model to a benchmark discrete ordinate solution. A simplified model of electron interactions with tissue is employed to compute the dose of an electron beam in a water phantom, and a case of irradiation of the vertebral column. Here our model is compared to the PENELOPE Monte Carlo code. In the academic example, the fluences computed with the new model and a benchmark result differ by less than 1%. The depths at half maximum differ by less than 0.6%. In the two comparisons with Monte Carlo, our model gives qualitatively reasonable dose distributions. Due to the crude interaction model, these so far do not have the accuracy needed in clinical practice. However, the new model has a computational cost that is less than one-tenth of the cost of a Monte Carlo simulation. In addition, simulations can be set up in a similar way as a Monte Carlo simulation. If more detailed effects such as coupled electron-photon transport, bremsstrahlung

A deterministic partial differential equation model for dose calculation in electron radiotherapy

Science.gov (United States)

Duclous, R.; Dubroca, B.; Frank, M.

2010-07-01

High-energy ionizing radiation is a prominent modality for the treatment of many cancers. The approaches to electron dose calculation can be categorized into semi-empirical models (e.g. Fermi-Eyges, convolution-superposition) and probabilistic methods (e.g. Monte Carlo). A third approach to dose calculation has only recently attracted attention in the medical physics community. This approach is based on the deterministic kinetic equations of radiative transfer. We derive a macroscopic partial differential equation model for electron transport in tissue. This model involves an angular closure in the phase space. It is exact for the free streaming and the isotropic regime. We solve it numerically by a newly developed HLLC scheme based on Berthon et al (2007 J. Sci. Comput. 31 347-89) that exactly preserves the key properties of the analytical solution on the discrete level. We discuss several test cases taken from the medical physics literature. A test case with an academic Henyey-Greenstein scattering kernel is considered. We compare our model to a benchmark discrete ordinate solution. A simplified model of electron interactions with tissue is employed to compute the dose of an electron beam in a water phantom, and a case of irradiation of the vertebral column. Here our model is compared to the PENELOPE Monte Carlo code. In the academic example, the fluences computed with the new model and a benchmark result differ by less than 1%. The depths at half maximum differ by less than 0.6%. In the two comparisons with Monte Carlo, our model gives qualitatively reasonable dose distributions. Due to the crude interaction model, these so far do not have the accuracy needed in clinical practice. However, the new model has a computational cost that is less than one-tenth of the cost of a Monte Carlo simulation. In addition, simulations can be set up in a similar way as a Monte Carlo simulation. If more detailed effects such as coupled electron-photon transport, bremsstrahlung

Electronic Cigarettes and Indoor Air Quality: A Simple Approach to Modeling Potential Bystander Exposures to Nicotine

Science.gov (United States)

Colard, Stéphane; O’Connell, Grant; Verron, Thomas; Cahours, Xavier; Pritchard, John D.

2014-01-01

There has been rapid growth in the use of electronic cigarettes (“vaping”) in Europe, North America and elsewhere. With such increased prevalence, there is currently a debate on whether the aerosol exhaled following the use of e-cigarettes has implications for the quality of air breathed by bystanders. Conducting chemical analysis of the indoor environment can be costly and resource intensive, limiting the number of studies which can be conducted. However, this can be modelled reasonably accurately based on empirical emissions data and using some basic assumptions. Here, we present a simplified model, based on physical principles, which considers aerosol propagation, dilution and extraction to determine the potential contribution of a single puff from an e-cigarette to indoor air. From this, it was then possible to simulate the cumulative effect of vaping over time. The model was applied to a virtual, but plausible, scenario considering an e-cigarette user and a non-user working in the same office space. The model was also used to reproduce published experimental studies and showed good agreement with the published values of indoor air nicotine concentration. With some additional refinements, such an approach may be a cost-effective and rapid way of assessing the potential exposure of bystanders to exhaled e-cigarette aerosol constituents. PMID:25547398

Electronic Cigarettes and Indoor Air Quality: A Simple Approach to Modeling Potential Bystander Exposures to Nicotine

Directory of Open Access Journals (Sweden)

Stéphane Colard

2014-12-01

Full Text Available There has been rapid growth in the use of electronic cigarettes (“vaping” in Europe, North America and elsewhere. With such increased prevalence, there is currently a debate on whether the aerosol exhaled following the use of e-cigarettes has implications for the quality of air breathed by bystanders. Conducting chemical analysis of the indoor environment can be costly and resource intensive, limiting the number of studies which can be conducted. However, this can be modelled reasonably accurately based on empirical emissions data and using some basic assumptions. Here, we present a simplified model, based on physical principles, which considers aerosol propagation, dilution and extraction to determine the potential contribution of a single puff from an e-cigarette to indoor air. From this, it was then possible to simulate the cumulative effect of vaping over time. The model was applied to a virtual, but plausible, scenario considering an e-cigarette user and a non-user working in the same office space. The model was also used to reproduce published experimental studies and showed good agreement with the published values of indoor air nicotine concentration. With some additional refinements, such an approach may be a cost-effective and rapid way of assessing the potential exposure of bystanders to exhaled e-cigarette aerosol constituents.

A novel approach to electron data background treatment in an online wide-angle spectrometer for laser-accelerated ion and electron bunches

Science.gov (United States)

Lindner, F. H.; Bin, J. H.; Englbrecht, F.; Haffa, D.; Bolton, P. R.; Gao, Y.; Hartmann, J.; Hilz, P.; Kreuzer, C.; Ostermayr, T. M.; Rösch, T. F.; Speicher, M.; Parodi, K.; Thirolf, P. G.; Schreiber, J.

2018-01-01

Laser-based ion acceleration is driven by electrical fields emerging when target electrons absorb laser energy and consecutively leave the target material. A direct correlation between these electrons and the accelerated ions is thus to be expected and predicted by theoretical models. We report on a modified wide-angle spectrometer, allowing the simultaneous characterization of angularly resolved energy distributions of both ions and electrons. Equipped with online pixel detectors, the RadEye1 detectors, the investigation of this correlation gets attainable on a single shot basis. In addition to first insights, we present a novel approach for reliably extracting the primary electron energy distribution from the interfering secondary radiation background. This proves vitally important for quantitative extraction of average electron energies (temperatures) and emitted total charge.

A real-space stochastic density matrix approach for density functional electronic structure.

Science.gov (United States)

Beck, Thomas L

2015-12-21

The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

3D invariant embedding model for backscattering electrons applied to materials characterization

International Nuclear Information System (INIS)

Figueroa, C.; Nieva, N.; Heluani, S.P.

2007-01-01

In this work, the results of a 3D model used to describe the fraction of backscattered electrons, together with its energy and angular distributions, are reported. This 3D model is the result of improvements in the Invariant Embedding Approach to Microanalysis (IEAM). Comparisons with experiment show that the theoretical results follow the general trend of experimental data, when parameters (such as atomic number, energy of the impinging electrons and tilted angle) are changed

Analytical thermal modelling of multilayered active embedded chips into high density electronic board

Directory of Open Access Journals (Sweden)

Monier-Vinard Eric

2013-01-01

Full Text Available The recent Printed Wiring Board embedding technology is an attractive packaging alternative that allows a very high degree of miniaturization by stacking multiple layers of embedded chips. This disruptive technology will further increase the thermal management challenges by concentrating heat dissipation at the heart of the organic substrate structure. In order to allow the electronic designer to early analyze the limits of the power dissipation, depending on the embedded chip location inside the board, as well as the thermal interactions with other buried chips or surface mounted electronic components, an analytical thermal modelling approach was established. The presented work describes the comparison of the analytical model results with the numerical models of various embedded chips configurations. The thermal behaviour predictions of the analytical model, found to be within ±10% of relative error, demonstrate its relevance for modelling high density electronic board. Besides the approach promotes a practical solution to study the potential gain to conduct a part of heat flow from the components towards a set of localized cooled board pads.

On quantum approach to modeling of plasmon photovoltaic effect

DEFF Research Database (Denmark)

Kluczyk, Katarzyna; David, Christin; Jacak, Witold Aleksander

2017-01-01

Surface plasmons in metallic nanostructures including metallically nanomodified solar cells are conventionally studied and modeled by application of the Mie approach to plasmons or by the finite element solution of differential Maxwell equations with imposed boundary and material constraints (e...... to the semiconductor solar cell mediated by surface plasmons in metallic nanoparticles deposited on the top of the battery. In addition, short-ranged electron-electron interaction in metals is discussed in the framework of the semiclassical hydrodynamic model. The significance of the related quantum corrections......-aided photovoltaic phenomena. Quantum corrections considerably improve both the Mie and COMSOL approaches in this case. We present the semiclassical random phase approximation description of plasmons in metallic nanoparticles and apply the quantumFermi golden rule scheme to assess the sunlight energy transfer...

A Dictionary Approach to Electron Backscatter Diffraction Indexing.

Science.gov (United States)

Chen, Yu H; Park, Se Un; Wei, Dennis; Newstadt, Greg; Jackson, Michael A; Simmons, Jeff P; De Graef, Marc; Hero, Alfred O

2015-06-01

We propose a framework for indexing of grain and subgrain structures in electron backscatter diffraction patterns of polycrystalline materials. We discretize the domain of a dynamical forward model onto a dense grid of orientations, producing a dictionary of patterns. For each measured pattern, we identify the most similar patterns in the dictionary, and identify boundaries, detect anomalies, and index crystal orientations. The statistical distribution of these closest matches is used in an unsupervised binary decision tree (DT) classifier to identify grain boundaries and anomalous regions. The DT classifies a pattern as an anomaly if it has an abnormally low similarity to any pattern in the dictionary. It classifies a pixel as being near a grain boundary if the highly ranked patterns in the dictionary differ significantly over the pixel's neighborhood. Indexing is accomplished by computing the mean orientation of the closest matches to each pattern. The mean orientation is estimated using a maximum likelihood approach that models the orientation distribution as a mixture of Von Mises-Fisher distributions over the quaternionic three sphere. The proposed dictionary matching approach permits segmentation, anomaly detection, and indexing to be performed in a unified manner with the additional benefit of uncertainty quantification.

Continuum multiple-scattering approach to electron-molecule scattering and molecular photoionization

International Nuclear Information System (INIS)

Dehmer, J.L.; Dill, D.

1979-01-01

The multiple-scattering approach to the electronic continuum of molecules is described. The continuum multiple-scattering model (CMSM) was developed as a survey tool and, as such was required to satisfy two requirements. First, it had to have a very broad scope, which means (i) molecules of arbitrary geometry and complexity containing any atom in the periodic system, (ii) continuum electron energies from 0-1000 eV, and (iii) capability to treat a large range of processes involving both photoionization and electron scattering. Second, the structure of the theory was required to lend itself to transparent, physical interpretation of major spectral features such as shape resonances. A comprehensive theoretical framework for the continuum multiple scattering method is presented, as well as its applications to electron-molecule scattering and molecular photoionization. Highlights of recent applications in these two areas are reviewed. The major impact of the resulting studies over the last few years has been to establish the importance of shape resonances in electron collisions and photoionization of practically all (non-hydride) molecules

Model Development for MODIS Thermal Band Electronic Crosstalk

Science.gov (United States)

Chang, Tiejun; Wu, Aisheng; Geng, Xu; Li, Yonghonh; Brinkman, Jake; Keller, Graziela; Xiong, Xiaoxiong

2016-01-01

MODerate-resolution Imaging Spectroradiometer (MODIS) has 36 bands. Among them, 16 thermal emissive bands covering a wavelength range from 3.8 to 14.4 m. After 16 years on-orbit operation, the electronic crosstalk of a few Terra MODIS thermal emissive bands developed substantial issues that cause biases in the EV brightness temperature measurements and surface feature contamination. The crosstalk effects on band 27 with center wavelength at 6.7 m and band 29 at 8.5 m increased significantly in recent years, affecting downstream products such as water vapor and cloud mask. The crosstalk effect is evident in the near-monthly scheduled lunar measurements, from which the crosstalk coefficients can be derived. The development of an alternative approach is very helpful for independent verification.In this work, a physical model was developed to assess the crosstalk impact on calibration as well as in Earth view brightness temperature retrieval. This model was applied to Terra MODIS band 29 empirically to correct the Earth brightness temperature measurements. In the model development, the detectors nonlinear response is considered. The impact of the electronic crosstalk is assessed in two steps. The first step consists of determining the impact on calibration using the on-board blackbody (BB). Due to the detectors nonlinear response and large background signal, both linear and nonlinear coefficients are affected by the crosstalk from sending bands. The second step is to calculate the effects on the Earth view brightness temperature retrieval. The effects include those from affected calibration coefficients and the contamination of Earth view measurements. This model links the measurement bias with crosstalk coefficients, detector non-linearity, and the ratio of Earth measurements between the sending and receiving bands. The correction of the electronic cross talk can be implemented empirically from the processed bias at different brightness temperature. The implementation

Electron momentum density and Compton profile by a semi-empirical approach

Science.gov (United States)

Aguiar, Julio C.; Mitnik, Darío; Di Rocco, Héctor O.

2015-08-01

Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi-Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron-electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z=3-50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.

NASA and COTS Electronics: Past Approach and Successes - Future Considerations

Science.gov (United States)

LaBel, Kenneth A.

2018-01-01

NASA has a long history of using commercial grade electronics in space. In this talk, a brief history of NASAâ's trends and approaches to commercial grade electronics focusing on processing and memory systems will be presented. This will include providing summary information on the space hazards to electronics as well as NASA mission trade space. We will also discuss developing recommendations for risk management approaches to Electrical, Electronic and Electromechanical (EEE) parts and reliability in space. The final portion of the talk will discuss emerging aerospace trends and the future for Commercial Off The Shelf (COTS) usage.

Models for the transport of low energy electrons in water and the yield of hydrated electrons at early times

International Nuclear Information System (INIS)

Brenner, D.J.; Miller, J.H.; Ritchie, R.H.; Bichsel, H.

1985-01-01

An insulator model with four experimental energy bands was used to fit the optical properties of liquid water and to extend these data to non-zero momentum transfer. Inelastic mean free paths derived from this dielectric response function provided the basic information necessary to degrade high energy electrons to the subexcitation energy domain. Two approaches for the transport of subexcitation electrons were investigated. (i) Gas phase cross sections were used to degrade subexcitation electrons to thermal energy and the thermalization lengths were scaled to unit density. (ii) Thermalization lengths were estimated by age-diffusion theory with a stopping power deduced from the data on liquid water and transport cross sections derived from elastic scattering in water vapor. Theoretical ranges were compared to recent experimental results. A stochastic model was used to calculate the rapid diffusion and reaction of hydrated electrons with other radiolysis products. The sensitivity of the calculated yields to the model assumptions and comparison with experimental data are discussed

Geometrical model for the electron

International Nuclear Information System (INIS)

El-Sherbini, T.M.

1985-07-01

A model for an electron of finite dimensions is proposed. This model disregards the concept of electronic charge and leads to Bohr's frequency formula for the hydrogen atom and to Maxwell's equations for electromagnetic fields. The stability of a free electron under the action of centrifugal and transverse forces is discussed. (author)

Hydrodynamic approach to electronic transport in graphene

Energy Technology Data Exchange (ETDEWEB)

Narozhny, Boris N. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation); Gornyi, Igor V. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Ioffe Physical Technical Institute, St. Petersburg (Russian Federation); Mirlin, Alexander D. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Petersburg Nuclear Physics Institute, St. Petersburg (Russian Federation); Schmalian, Joerg [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute for Solid State Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany)

2017-11-15

The last few years have seen an explosion of interest in hydrodynamic effects in interacting electron systems in ultra-pure materials. In this paper we briefly review the recent advances, both theoretical and experimental, in the hydrodynamic approach to electronic transport in graphene, focusing on viscous phenomena, Coulomb drag, non-local transport measurements, and possibilities for observing nonlinear effects. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Power electronic converters modeling and control with case studies

CERN Document Server

Bacha, Seddik; Bratcu, Antoneta Iuliana

2014-01-01

Modern power electronic converters are involved in a very broad spectrum of applications: switched-mode power supplies, electrical-machine-motion-control, active power filters, distributed power generation, flexible AC transmission systems, renewable energy conversion systems and vehicular technology, among them. Power Electronics Converters Modeling and Control teaches the reader how to analyze and model the behavior of converters and so to improve their design and control. Dealing with a set of confirmed algorithms specifically developed for use with power converters, this text is in two parts: models and control methods. The first is a detailed exposition of the most usual power converter models: ·        switched and averaged models; ·        small/large-signal models; and ·        time/frequency models. The second focuses on three groups of control methods: ·        linear control approaches normally associated with power converters; ·        resonant controllers b...

Observation of superconducting fluxons by transmission electron microscopy: A Fourier space approach to calculate the electron optical phase shifts and images

International Nuclear Information System (INIS)

Beleggia, M.; Pozzi, G.

2001-01-01

An approach is presented for the calculation of the electron optical phase shift experienced by high-energy electrons in a transmission electron microscope, when they interact with the magnetic field associated with superconducting fluxons in a thin specimen tilted with respect to the beam. It is shown that by decomposing the vector potential in its Fourier components and by calculating the phase shift of each component separately, it is possible to obtain the Fourier transform of the electron optical phase shift, which can be inverted either analytically or numerically. It will be shown how this method can be used to recover the result, previously obtained by the real-space approach, relative to the case of a straight flux tube perpendicular to the specimen surfaces. Then the method is applied to the case of a London fluxon in a thin film, where the bending and the broadening of the magnetic-field lines due to the finite specimen thickness are now correctly taken into account and not treated approximately by means of a parabolic fit. Finally, it will be shown how simple models for the pancake structure of the fluxon can be analyzed within this framework and the main features of electron transmission images predicted

Electrostatic models of electron-driven proton transfer across a lipid membrane

Energy Technology Data Exchange (ETDEWEB)

Smirnov, Anatoly Yu; Nori, Franco [Advanced Science Institute, RIKEN, Wako-shi, Saitama, 351-0198 (Japan); Mourokh, Lev G [Department of Physics, Queens College, The City University of New York, Flushing, NY 11367 (United States)

2011-06-15

We present two models for electron-driven uphill proton transport across lipid membranes, with the electron energy converted to the proton gradient via the electrostatic interaction. In the first model, associated with the cytochrome c oxidase complex in the inner mitochondria membranes, the electrostatic coupling to the site occupied by an electron lowers the energy level of the proton-binding site, making proton transfer possible. In the second model, roughly describing the redox loop in a nitrate respiration of E. coli bacteria, an electron displaces a proton from the negative side of the membrane to a shuttle, which subsequently diffuses across the membrane and unloads the proton to its positive side. We show that both models can be described by the same approach, which can be significantly simplified if the system is separated into several clusters, with strong Coulomb interaction inside each cluster and weak transfer couplings between them. We derive and solve the equations of motion for the electron and proton creation/annihilation operators, taking into account the appropriate Coulomb terms, tunnel couplings, and the interaction with the environment. For the second model, these equations of motion are solved jointly with a Langevin-type equation for the shuttle position. We obtain expressions for the electron and proton currents and determine their dependence on the electron and proton voltage build-ups, on-site charging energies, reorganization energies, temperature, and other system parameters. We show that the quantum yield in our models can be up to 100% and the power-conversion efficiency can reach 35%.

Electrostatic models of electron-driven proton transfer across a lipid membrane

International Nuclear Information System (INIS)

Smirnov, Anatoly Yu; Nori, Franco; Mourokh, Lev G

2011-01-01

We present two models for electron-driven uphill proton transport across lipid membranes, with the electron energy converted to the proton gradient via the electrostatic interaction. In the first model, associated with the cytochrome c oxidase complex in the inner mitochondria membranes, the electrostatic coupling to the site occupied by an electron lowers the energy level of the proton-binding site, making proton transfer possible. In the second model, roughly describing the redox loop in a nitrate respiration of E. coli bacteria, an electron displaces a proton from the negative side of the membrane to a shuttle, which subsequently diffuses across the membrane and unloads the proton to its positive side. We show that both models can be described by the same approach, which can be significantly simplified if the system is separated into several clusters, with strong Coulomb interaction inside each cluster and weak transfer couplings between them. We derive and solve the equations of motion for the electron and proton creation/annihilation operators, taking into account the appropriate Coulomb terms, tunnel couplings, and the interaction with the environment. For the second model, these equations of motion are solved jointly with a Langevin-type equation for the shuttle position. We obtain expressions for the electron and proton currents and determine their dependence on the electron and proton voltage build-ups, on-site charging energies, reorganization energies, temperature, and other system parameters. We show that the quantum yield in our models can be up to 100% and the power-conversion efficiency can reach 35%.

3D Modeling Activity for Novel High Power Electron Guns at SLAC

International Nuclear Information System (INIS)

Krasnykh, Anatoly

2003-01-01

The next generation of powerful electronic devices requires new approaches to overcome the known limitations of existing tube technology. Multi-beam and sheet beam approaches are novel concepts for the high power microwave devices. Direct and indirect modeling methods are being developed at SLAC to meet the new requirements in the 3D modeling. The direct method of solving of Poisson's equations for the multi-beam and sheet beam guns is employed in the TOPAZ 3D tool. The combination of TOPAZ 2D and EGUN (in the beginning) with MAFIA 3D and MAGIC 3D (at the end) is used in an indirect method to model the high power electron guns. Both methods complement each other to get reliable representation of the beam trajectories. Several gun ideas are under consideration at the present time. The collected results of these simulations are discussed

3D Modeling Activity for Novel High Power Electron Guns at SLAC

CERN Document Server

Krasnykh, Anatoly K

2003-01-01

The next generation of powerful electronic devices requires new approaches to overcome the known limitations of existing tube technology. Multi-beam and sheet beam approaches are novel concepts for the high power microwave devices. Direct and indirect modeling methods are being developed at SLAC to meet the new requirements in the 3D modeling. The direct method of solving of Poisson's equations for the multi-beam and sheet beam guns is employed in the TOPAZ 3D tool. The combination of TOPAZ 2D and EGUN (in the beginning) with MAFIA 3D and MAGIC 3D (at the end) is used in an indirect method to model the high power electron guns. Both methods complement each other to get reliable representation of the beam trajectories. Several gun ideas are under consideration at the present time. The collected results of these simulations are discussed.

2d axisymmetric "beam-bulk" modelling of the generation of runaway electrons by streamers.

Science.gov (United States)

Chanrion, Olivier; Bonaventura, Zdenek; Bourdon, Anne; Neubert, Torsten

2017-04-01

We present results from a 2d axisymmetric numerical model of streamers based on a "beam-bulk" approach which describes cold electrons with a fluid model and high energy electrons with a particle model. The interest is motivated by the generation of runaway electrons by streamers which may participate in the recently observed TGFs and which challenge the modelling. Runaway electrons are known to be generated from streamers when the electric field in its negative tip is of sufficient magnitude. After overtaking the streamer tip, runaways can affect the streamer propagation ahead and may produce high energy photons through the bremsstrahlung process. In conventional model of streamers, the evolution of the streamer discharge is mostly governed by cold electrons. By including runaway electrons, we model their production, their impact on the discharge propagation and can address their role in TGFs. Results of streamer propagation in leader electric field show that the runaway electrons accelerate the streamers, reduce the electric field in its tip and enlarge its radius by pre-ionizing the gas ahead. We observed that if we increase the electric field, the discharge is getting more diffuse, with a pattern driven by the increase in runaway induced ionisation.

Electronic conductance model in constricted MoS{sub 2} with nanopores

Energy Technology Data Exchange (ETDEWEB)

Sarathy, Aditya [Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana, Illinois 61801 (United States); Department of Electrical and Computer Engineering, University of Illinois, Urbana, Illinois 61801 (United States); Leburton, Jean-Pierre, E-mail: jleburto@illinois.edu [Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana, Illinois 61801 (United States); Department of Electrical and Computer Engineering, University of Illinois, Urbana, Illinois 61801 (United States); Department of Physics, University of Illinois, Urbana, Illinois 61801 (United States)

2016-02-01

We describe a self-consistent model for electronic transport in a molybdenum di-sulphide (MoS{sub 2}) layer containing a nanopore in a constricted geometry. Our approach is based on a semi-classical thermionic Poisson-Boltzmann technique using a two-valley model within the effective mass approximation to investigate perturbations caused by the nanopore on the electronic current. In particular, we show that the effect of the nanopore on the conductance is reduced as the nanopore is moved from the center to the layer edges. Our model is applied to the detection of DNA translocating through the nanopore, which reveals current features similar to those as predicted in nanopore graphene layers.

Significance of matrix diagonalization in modelling inelastic electron scattering

Energy Technology Data Exchange (ETDEWEB)

Lee, Z. [University of Ulm, Ulm 89081 (Germany); Hambach, R. [University of Ulm, Ulm 89081 (Germany); University of Jena, Jena 07743 (Germany); Kaiser, U.; Rose, H. [University of Ulm, Ulm 89081 (Germany)

2017-04-15

Electron scattering is always applied as one of the routines to investigate nanostructures. Nowadays the development of hardware offers more and more prospect for this technique. For example imaging nanostructures with inelastic scattered electrons may allow to produce component-sensitive images with atomic resolution. Modelling inelastic electron scattering is therefore essential for interpreting these images. The main obstacle to study inelastic scattering problem is its complexity. During inelastic scattering, incident electrons entangle with objects, and the description of this process involves a multidimensional array. Since the simulation usually involves fourdimensional Fourier transforms, the computation is highly inefficient. In this work we have offered one solution to handle the multidimensional problem. By transforming a high dimensional array into twodimensional array, we are able to perform matrix diagonalization and approximate the original multidimensional array with its twodimensional eigenvectors. Our procedure reduces the complicated multidimensional problem to a twodimensional problem. In addition, it minimizes the number of twodimensional problems. This method is very useful for studying multiple inelastic scattering. - Highlights: • 4D problems are involved in modelling inelastic electron scattering. • By means of matrix diagonalization, the 4D problems can be simplified as 2D problems. • The number of 2D problems is minimized by using this approach.

A relativistic model of electron cyclotron current drive efficiency in tokamak plasmas

Directory of Open Access Journals (Sweden)

Lin-Liu Y.R.

2012-09-01

Full Text Available A fully relativistic model of electron cyclotron current drive (ECCD efficiency based on the adjoint function techniques is considered. Numerical calculations of the current drive efficiency in a tokamak by using the variational approach are performed. A fully relativistic extension of the variational principle with the modified basis functions for the Spitzer function with momentum conservation in the electron-electron collision is described in general tokamak geometry. The model developed has generalized that of Marushchenko’s (N.B . Marushchenko, et al. Fusion Sci. & Tech., 2009, which is extended for arbitrary temperatures and covers exactly the asymptotic for u ≫ 1 when Z → ∞, and suitable for ray-tracing calculations.

Enhanced angular overlap model for nonmetallic f -electron systems

Science.gov (United States)

Gajek, Z.

2005-07-01

An efficient method of interpretation of the crystal field effect in nonmetallic f -electron systems, the enhanced angular overlap model (EAOM), is presented. The method is established on the ground of perturbation expansion of the effective Hamiltonian for localized electrons and first-principles calculations related to available experimental data. The series of actinide compounds AO2 , oxychalcogenides AOX , and dichalcogenides UX2 where X=S ,Se,Te and A=U ,Np serve as probes of the effectiveness of the proposed method. An idea is to enhance the usual angular overlap model with ab initio calculations of those contributions to the crystal field potential, which cannot be represented by the usual angular overlap model (AOM). The enhancement leads to an improved fitting and makes the approach intrinsically coherent. In addition, the ab initio calculations of the main, AOM-consistent part of the crystal field potential allows one to fix the material-specific relations for the EAOM parameters in the effective Hamiltonian. Consequently, the electronic structure interpretation based on EAOM can be extended to systems of the lowest point symmetries or/and deficient experimental data. Several examples illustrating the promising capabilities of EAOM are given.

Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

International Nuclear Information System (INIS)

Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

2016-01-01

Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

Energy Technology Data Exchange (ETDEWEB)

Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

2016-10-20

Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

Unified model of secondary electron cascades in diamond

International Nuclear Information System (INIS)

Ziaja, Beata; London, Richard A.; Hajdu, Janos

2005-01-01

In this article we present a detailed and unified theoretical treatment of secondary electron cascades that follow the absorption of x-ray photons. A Monte Carlo model has been constructed that treats in detail the evolution of electron cascades induced by photoelectrons and by Auger electrons following inner shell ionizations. Detailed calculations are presented for cascades initiated by electron energies between 0.1 and 10 keV. The present article expands our earlier work [B. Ziaja, D. van der Spoel, A. Szoeke, and J. Hajdu, Phys. Rev. B 64, 214104 (2001), Phys. Rev. B 66, 024116 (2002)] by extending the primary energy range, by improving the treatment of secondary electrons, especially at low electron energies, by including ionization by holes, and by taking into account their coupling to the crystal lattice. The calculations describe the three-dimensional evolution of the electron cloud, and monitor the equivalent instantaneous temperature of the free electron gas as the system cools. The dissipation of the impact energy proceeds predominantly through the production of secondary electrons whose energies are comparable to the binding energies of the valence (40-50 eV) and of the core electrons (300 eV). The electron cloud generated by a 10 keV electron is strongly anisotropic in the early phases of the cascade (t≤1 fs). At later times, the sample is dominated by low energy electrons, and these are scattered more isotropically by atoms in the sample. Our results for the total number of secondary electrons agree with available experimental data, and show that the emission of secondary electrons approaches saturation within about 100 fs following the primary impact

A classical model for the electron

International Nuclear Information System (INIS)

Visser, M.

1989-01-01

The construction of classical and semi-classical models for the electron has had a long and distinguished history. Such models are useful more for what they teach us about field theory than what they teach us about the electron. In this Letter I exhibit a classical model of the electron consisting of ordinary electromagnetism coupled with a self-interacting version of Newtonian gravity. The gravitational binding energy of the system balances the electrostatic energy in such a manner that the total rest mass of the electron is finite. (orig.)

Renormalization group-theoretic approach to electron localization in disordered systems

International Nuclear Information System (INIS)

Kumar, N.; Heinrichs, J.

1977-06-01

The localization problem for the Anderson tight-binding model with site-diagonal (gaussian) disorder is studied, using a previously established analogy between this problem and the statistical mechanics of a zero-component classical field. The equivalent free-energy functional turns out to have complex coefficients in the bilinear terms but involves a real repulsive quartic interaction. The averaged one-electron propagator corresponds to the two-point correlation function for the equivalent statistical problem and the critical point gives the mobility edge, which is identified with the (real) fixed point energy of the associated renormalization group. Since for convergence reasons the conventional perturbative treatment of Wilson's formula is invalid, it is resorted to a non-perturbative approach which leads to a physical fixed point corresponding to a repulsive quartic interaction. The results for the mobility edge in three dimensions and for the critical disorder for an Anderson transition in two dimensions agree well with previous detailed predictions. The critical indices describing the approach of the transition at the mobility edge of various physical quantities, within the epsilon-expansion are also discussed. The more general problem where both diagonal and off-diagonal disorder is present in the Anderson hamiltonian is considered. In this case it is shown that the Hamilton function for the equivalent zero-component classical field model involves an additional biquadratic exchange term. From a simple generalization of Wilson's recursion relation and its non-perturbative solution explicit expressions for the mobility edges for weak diagonal and off-diagonal disorder in two and three dimensions are obtained. Our treatment casts doubts on the validity of recent conclusions about electron localization based on the renormalization group study of the nm-component spin model

Model of e-learning with electronic educational resources of new generation

Directory of Open Access Journals (Sweden)

A. V. Loban

2017-01-01

Full Text Available Purpose of the article: improving of scientific and methodical base of the theory of the е-learning of variability. Methods used: conceptual and logical modeling of the е-learning of variability process with electronic educational resource of new generation and system analysis of the interconnection of the studied subject area, methods, didactics approaches and information and communication technologies means. Results: the formalization complex model of the е-learning of variability with electronic educational resource of new generation is developed, conditionally decomposed into three basic components: the formalization model of the course in the form of the thesaurusclassifier (“Author of e-resource”, the model of learning as management (“Coordination. Consultation. Control”, the learning model with the thesaurus-classifier (“Student”. Model “Author of e-resource” allows the student to achieve completeness, high degree of didactic elaboration and structuring of the studied material in triples of variants: modules of education information, practical task and control tasks; the result of the student’s (author’s of e-resource activity is the thesaurus-classifier. Model of learning as management is based on the principle of personal orientation of learning in computer environment and determines the logic of interaction between the lecturer and the student when determining the triple of variants individually for each student; organization of a dialogue between the lecturer and the student for consulting purposes; personal control of the student’s success (report generation and iterative search for the concept of the class assignment in the thesaurus-classifier before acquiring the required level of training. Model “Student” makes it possible to concretize the learning tasks in relation to the personality of the student and to the training level achieved; the assumption of the lecturer about the level of training of a

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

Science.gov (United States)

Andrade, Xavier; Strubbe, David; De Giovannini, Umberto; Larsen, Ask Hjorth; Oliveira, Micael J. T.; Alberdi-Rodriguez, Joseba; Varas, Alejandro; Theophilou, Iris; Helbig, Nicole; Verstraete, Matthieu J.; Stella, Lorenzo; Nogueira, Fernando; Aspuru-Guzik, Alán; Castro, Alberto; Marques, Miguel A. L.; Rubio, Angel

Real-space grids are a powerful alternative for the simulation of electronic systems. One of the main advantages of the approach is the flexibility and simplicity of working directly in real space where the different fields are discretized on a grid, combined with competitive numerical performance and great potential for parallelization. These properties constitute a great advantage at the time of implementing and testing new physical models. Based on our experience with the Octopus code, in this article we discuss how the real-space approach has allowed for the recent development of new ideas for the simulation of electronic systems. Among these applications are approaches to calculate response properties, modeling of photoemission, optimal control of quantum systems, simulation of plasmonic systems, and the exact solution of the Schr\\"odinger equation for low-dimensionality systems.

Access Control Model for Sharing Composite Electronic Health Records

Science.gov (United States)

Jin, Jing; Ahn, Gail-Joon; Covington, Michael J.; Zhang, Xinwen

The adoption of electronically formatted medical records, so called Electronic Health Records (EHRs), has become extremely important in healthcare systems to enable the exchange of medical information among stakeholders. An EHR generally consists of data with different types and sensitivity degrees which must be selectively shared based on the need-to-know principle. Security mechanisms are required to guarantee that only authorized users have access to specific portions of such critical record for legitimate purposes. In this paper, we propose a novel approach for modelling access control scheme for composite EHRs. Our model formulates the semantics and structural composition of an EHR document, from which we introduce a notion of authorized zones of the composite EHR at different granularity levels, taking into consideration of several important criteria such as data types, intended purposes and information sensitivities.

An analytic approach to 2D electronic PE spectra of molecular systems

International Nuclear Information System (INIS)

Szoecs, V.

2011-01-01

Graphical abstract: The three-pulse photon echo (3P-PE) spectra of finite molecular systems using direct calculation from electronic Hamiltonians allows peak classification from 3P-PE spectra dynamics. Display Omitted Highlights: → RWA approach to electronic photon echo. → A straightforward calculation of 2D electronic spectrograms in finite molecular systems. → Importance of population time dynamics in relation to inter-site coherent coupling. - Abstract: The three-pulse photon echo (3P-PE) spectra of finite molecular systems and simplified line broadening models is presented. The Fourier picture of a heterodyne detected three-pulse rephasing PE signal in the δ-pulse limit of the external field is derived in analytic form. The method includes contributions of one and two-excitonic states and allows direct calculation of Fourier PE spectrogram from corresponding Hamiltonian. As an illustration, the proposed treatment is applied to simple systems, e.g. 2-site two-level system (TLS) and n-site TLS model of photosynthetic unit. The importance of relation between Fourier picture of 3P-PE dynamics (corresponding to nonzero population time, T) and coherent inter-state coupling is emphasized.

Integrated Nationwide Electronic Health Records system: Semi-distributed architecture approach.

Science.gov (United States)

Fragidis, Leonidas L; Chatzoglou, Prodromos D; Aggelidis, Vassilios P

2016-11-14

The integration of heterogeneous electronic health records systems by building an interoperable nationwide electronic health record system provides undisputable benefits in health care, like superior health information quality, medical errors prevention and cost saving. This paper proposes a semi-distributed system architecture approach for an integrated national electronic health record system incorporating the advantages of the two dominant approaches, the centralized architecture and the distributed architecture. The high level design of the main elements for the proposed architecture is provided along with diagrams of execution and operation and data synchronization architecture for the proposed solution. The proposed approach effectively handles issues related to redundancy, consistency, security, privacy, availability, load balancing, maintainability, complexity and interoperability of citizen's health data. The proposed semi-distributed architecture offers a robust interoperability framework without healthcare providers to change their local EHR systems. It is a pragmatic approach taking into account the characteristics of the Greek national healthcare system along with the national public administration data communication network infrastructure, for achieving EHR integration with acceptable implementation cost.

Grid-based electronic structure calculations: The tensor decomposition approach

Energy Technology Data Exchange (ETDEWEB)

Rakhuba, M.V., E-mail: rakhuba.m@gmail.com [Skolkovo Institute of Science and Technology, Novaya St. 100, 143025 Skolkovo, Moscow Region (Russian Federation); Oseledets, I.V., E-mail: i.oseledets@skoltech.ru [Skolkovo Institute of Science and Technology, Novaya St. 100, 143025 Skolkovo, Moscow Region (Russian Federation); Institute of Numerical Mathematics, Russian Academy of Sciences, Gubkina St. 8, 119333 Moscow (Russian Federation)

2016-05-01

We present a fully grid-based approach for solving Hartree–Fock and all-electron Kohn–Sham equations based on low-rank approximation of three-dimensional electron orbitals. Due to the low-rank structure the total complexity of the algorithm depends linearly with respect to the one-dimensional grid size. Linear complexity allows for the usage of fine grids, e.g. 8192{sup 3} and, thus, cheap extrapolation procedure. We test the proposed approach on closed-shell atoms up to the argon, several molecules and clusters of hydrogen atoms. All tests show systematical convergence with the required accuracy.

Analytical local electron-electron interaction model potentials for atoms

International Nuclear Information System (INIS)

Neugebauer, Johannes; Reiher, Markus; Hinze, Juergen

2002-01-01

Analytical local potentials for modeling the electron-electron interaction in an atom reduce significantly the computational effort in electronic structure calculations. The development of such potentials has a long history, but some promising ideas have not yet been taken into account for further improvements. We determine a local electron-electron interaction potential akin to those suggested by Green et al. [Phys. Rev. 184, 1 (1969)], which are widely used in atom-ion scattering calculations, electron-capture processes, and electronic structure calculations. Generalized Yukawa-type model potentials are introduced. This leads, however, to shell-dependent local potentials, because the origin behavior of such potentials is different for different shells as has been explicated analytically [J. Neugebauer, M. Reiher, and J. Hinze, Phys. Rev. A 65, 032518 (2002)]. It is found that the parameters that characterize these local potentials can be interpolated and extrapolated reliably for different nuclear charges and different numbers of electrons. The analytical behavior of the corresponding localized Hartree-Fock potentials at the origin and at long distances is utilized in order to reduce the number of fit parameters. It turns out that the shell-dependent form of Green's potential, which we also derive, yields results of comparable accuracy using only one shell-dependent parameter

On one peculiarity of the model describing the interaction of the electron beam with the semiconductor surface

Science.gov (United States)

Stepovich, M. A.; Amrastanov, A. N.; Seregina, E. V.; Filippov, M. N.

2018-01-01

The problem of heat distribution in semiconductor materials irradiated with sharply focused electron beams in the absence of heat exchange between the target and the external medium is considered by mathematical modeling methods. For a quantitative description of energy losses by probe electrons a model based on a separate description of the contributions of absorbed in the target and backscattered electrons and applicable to a wide class of solids and a range of primary electron energies is used. Using the features of this approach, the nonmonotonic dependence of the temperature of the maximum heating in the target on the energy of the primary electrons is explained. Some modeling results are illustrated for semiconductor materials of electronic engineering.

A new electron density model of the plasmasphere for operational applications and services

Science.gov (United States)

Jakowski, Norbert; Hoque, Mohammed Mainul

2018-03-01

The Earth's plasmasphere contributes essentially to total electron content (TEC) measurements from ground or satellite platforms. Furthermore, as an integral part of space weather, associated plasmaspheric phenomena must be addressed in conjunction with ionosphere weather monitoring by operational space weather services. For supporting space weather services and mitigation of propagation errors in Global Navigation Satellite Systems (GNSS) applications we have developed the empirical Neustrelitz plasmasphere model (NPSM). The model consists of an upper L shell dependent part and a lower altitude dependent part, both described by specific exponential decays. Here the McIllwain parameter L defines the geomagnetic field lines in a centered dipole model for the geomagnetic field. The coefficients of the developed approaches are successfully fitted to numerous electron density data derived from dual frequency GPS measurements on-board the CHAMP satellite mission from 2000 to 2005. The data are utilized for fitting up to the L shell L = 3 because a previous validation has shown a good agreement with IMAGE/RPI measurements up to this value. Using the solar radio flux index F10.7 as the only external parameter, the operation of the model is robust, with 40 coefficients fast and sufficiently accurate to be used as a background model for estimating TEC or electron density profiles in near real time GNSS applications and services. In addition to this, the model approach is sensitive to ionospheric coupling resulting in anomalies such as the Nighttime Winter Anomaly and the related Mid-Summer Nighttime Anomaly and even shows a slight plasmasphere compression of the dayside plasmasphere due to solar wind pressure. Modelled electron density and TEC values agree with estimates reported in the literature in similar cases.

Fuse Modeling for Reliability Study of Power Electronic Circuits

DEFF Research Database (Denmark)

Bahman, Amir Sajjad; Iannuzzo, Francesco; Blaabjerg, Frede

2017-01-01

This paper describes a comprehensive modeling approach on reliability of fuses used in power electronic circuits. When fuses are subjected to current pulses, cyclic temperature stress is introduced to the fuse element and will wear out the component. Furthermore, the fuse may be used in a large......, and rated voltage/current are opposed to shift in time to effect early breaking during the normal operation of the circuit. Therefore, in such cases, a reliable protection required for the other circuit components will not be achieved. The thermo-mechanical models, fatigue analysis and thermo...

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range-Separated Density Functional Approach

KAUST Repository

Sun, Haitao

2016-05-16

We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a non-empirical, optimally tuned range-separated hybrid functional with the polarizable continuum model, is applied to a series of eight representative molecular semiconductor crystals. We show that it provides ionization energies, electron affinities, and transport gaps in very good agreement with experimental values as well as with the results of many-body perturbation theory within the GW approximation at a fraction of the computational costs. Hence, this approach represents an easily applicable and computationally efficient tool to estimate the gas-to-crystal-phase shifts of the frontier-orbital quasiparticle energies in organic electronic materials.

Vlasov fluid model with electron pressure

International Nuclear Information System (INIS)

Gerwin, R.

1975-11-01

The Vlasov-ion, fluid-electron model of Freidberg for studying the linear stability of hot-ion pinch configurations is here extended to include electron pressure. Within the framework of an adiabatic electron-gas picture, it is shown that this model is still amenable to the numerical methods described by Lewis and Freidberg

Analytic model of electron pulse propagation in ultrafast electron diffraction experiments

International Nuclear Information System (INIS)

Michalik, A.M.; Sipe, J.E.

2006-01-01

We present a mean-field analytic model to study the propagation of electron pulses used in ultrafast electron diffraction experiments (UED). We assume a Gaussian form to characterize the electron pulse, and derive a system of ordinary differential equations that are solved quickly and easily to give the pulse dynamics. We compare our model to an N-body numerical simulation and are able to show excellent agreement between the two result sets. This model is a convenient alternative to time consuming and computationally intense N-body simulations in exploring the dynamics of UED electron pulses, and as a tool for refining UED experimental designs

Neo-Institutional Approach to the Study of Electronic Government

Directory of Open Access Journals (Sweden)

Yan I. Vaslavskiy

2016-01-01

Full Text Available The article is devoted to the neo-institutional approach as a methodological basis in the study of electronic government. In this article substantiates the choice of neo-institutional approach to the study of the processes of implementation of information and communication technologies in the activity of state institutions, analyzes the differences of neoinstitutionalism from traditional institutional approach, considers the features of the different directions of neo-institutionalism, namely sociological, historical and rational choice theory. Attention is paid to the reasons for the renewed interest in political institutions in political science. The article emphasizes the importance of considering the electronic government as an institution, and the conditions for its implementation in the Russian political system as the institutional environment. The authors pay special attention to the variety of sociological neo-institutionalism, used, in addition to political science in sociology of organizations. The article substantiates the value of using sociological institutionalism to explore the electronic government based on a comparative analysis of e-government projects in Russia and abroad and explores its heuristic capabilities. It examines the impact of the system of norms and values of the institutional environment on the processes of formation and development of electronic government in Russia. The research capacity of this theory is due to the fact that it allows us to trace the reasons for copying and replication of inefficient practices and organizational and management schemes, to identify the factors impeding innovation use by the state of electronic interaction technologies. It is emphasized that the use of the theory of institutional isomorphism is useful in the sphere of implementation of electronic technologies, in which a key role play pluralism, horizontal managerial communication, inter-agency coordination.

Pseudogap in the Eliashberg approach based on electron-phonon and electron-electron-phonon interaction

Energy Technology Data Exchange (ETDEWEB)

Szczesniak, R. [Institute of Physics, Czestochowa University of Technology (Poland); Institute of Physics, Jan Dlugosz University in Czestochowa (Poland); Durajski, A.P.; Duda, A.M. [Institute of Physics, Czestochowa University of Technology (Poland)

2017-04-15

The properties of the superconducting and the anomalous normal state were described by using the Eliashberg method. The pairing mechanism was reproduced with the help of the Hamiltonian, which models the electron-phonon and the electron-electron-phonon interaction (EEPh). The set of the Eliashberg equations, which determines the order parameter function (φ), the wave function renormalization factor (Z), and the energy shift function (χ), was derived. It was proven that for the sufficiently large values of the EEPh potential, the doping dependence of the order parameter (φ/Z) has the analogous course to that observed experimentally in cuprates. The energy gap in the electron density of states is induced by Z and χ - the contribution from φ is negligible. The electron density of states possesses the characteristic asymmetric form and the pseudogap is observed above the critical temperature. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Potential-splitting approach applied to the Temkin-Poet model for electron scattering off the hydrogen atom and the helium ion

Science.gov (United States)

Yarevsky, E.; Yakovlev, S. L.; Larson, Å; Elander, N.

2015-06-01

The study of scattering processes in few body systems is a difficult problem especially if long range interactions are involved. In order to solve such problems, we develop here a potential-splitting approach for three-body systems. This approach is based on splitting the reaction potential into a finite range core part and a long range tail part. The solution to the Schrödinger equation for the long range tail Hamiltonian is found analytically, and used as an incoming wave in the three body scattering problem. This reformulation of the scattering problem makes it suitable for treatment by the exterior complex scaling technique in the sense that the problem after the complex dilation is reduced to a boundary value problem with zero boundary conditions. We illustrate the method with calculations on the electron scattering off the hydrogen atom and the positive helium ion in the frame of the Temkin-Poet model.

Electronic properties of large metal clusters in Jellium and pseudo-jellium models

International Nuclear Information System (INIS)

Catara, F.; Van Giai, N.; Chomaz, P.

1994-08-01

The energy-density functional approach and jellium-like models are used to examine two important electronic properties of metal (Li, Na, K) clusters: their shell and supershell structures, and the behaviour of plasmon energies with increasing cluster sizes. A comparative study is made between predictions of the usual jellium model and those of the pseudo-jellium model where pseudo-Hamiltonians are used. (authors) 10 figs., 5 tabs., 16 refs

Modelling of non-thermal electron cyclotron emission during ECRH

International Nuclear Information System (INIS)

Tribaldos, V.; Krivenski, V.

1990-01-01

The existence of suprathermal electrons during Electron Cyclotron Resonance Heating experiments in tokamaks is today a well established fact. At low densities the creation of large non-thermal electron tails affects the temperature profile measurements obtained by 2 nd harmonic, X-mode, low-field side, electron cyclotron emission. At higher densities suprathermal electrons can be detected by high-field side emission. In electron cyclotron current drive experiments a high energy suprathermal tail, asymmetric in v, is observed. Non-Maxwellian electron distribution functions are also typically observed during lower-hybrid current drive experiments. Fast electrons have been observed during ionic heating by neutral beams as well. Two distinct approaches are currently used in the interpretation of the experimental results: simple analytical models which reproduce some of the expected non-Maxwellian characteristics of the electron distribution function are employed to get a qualitative picture of the phenomena; sophisticated numerical Fokker-Planck calculations give the electron distribution function from which the emission spectra are computed. No algorithm is known to solve the inverse problem, i.e. to compute the electron distribution function from the emitted spectra. The proposed methods all relay on the basic assumption that the electron distribution function has a given functional dependence on a limited number of free parameters, which are then 'measured' by best fitting the experimental results. Here we discuss the legitimacy of this procedure. (author) 7 refs., 5 figs

Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

Science.gov (United States)

Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar

2017-11-01

Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below

Developing a model for the adequate description of electronic communication in hospitals.

Science.gov (United States)

Saboor, Samrend; Ammenwerth, Elske

2011-01-01

Adequate information and communication systems (ICT) can help to improve the communication in hospitals. Changes to the ICT-infrastructure of hospitals must be planed carefully. In order to support a comprehensive planning, we presented a classification of 81 common errors of the electronic communication on the MIE 2008 congress. Our objective now was to develop a data model that defines specific requirements for an adequate description of electronic communication processes We first applied the method of explicating qualitative content analysis on the error categorization in order to determine the essential process details. After this, we applied the method of subsuming qualitative content analysis on the results of the first step. A data model for the adequate description of electronic communication. This model comprises 61 entities and 91 relationships. The data model comprises and organizes all details that are necessary for the detection of the respective errors. It can be for either used to extend the capabilities of existing modeling methods or as a basis for the development of a new approach.

Electron Fermi acceleration in collapsing magnetic traps: Computational and analytical models

International Nuclear Information System (INIS)

Gisler, G.; Lemons, D.

1990-01-01

The authors consider the heating and acceleration of electrons trapped on magnetic field lines between approaching magnetic mirrors. Such a collapsing magnetic trap and consequent electron energization can occur whenever a curved (or straight) flux tube drifts into a relatively straight (or curved) perpendicular shock. The relativistic, three-dimensional, collisionless test particle simulations show that an initial thermal electron distribution is bulk heated while a few individual electrons are accelerated to many times their original energy before they escape the trap. Upstream field-aligned beams and downstream pancake distributions perpendicular to the field are predicted. In the appropriate limit the simulation results agree well with a nonrelativistic analytic model of the distribution of escaping electrons which is based on the first adiabatic invariant and energy conservation between collisions with the mirrors. Space science and astrophysical applications are discussed

Design of laser-generated shockwave experiments. An approach using analytic models

International Nuclear Information System (INIS)

Lee, Y.T.; Trainor, R.J.

1980-01-01

Two of the target-physics phenomena which must be understood before a clean experiment can be confidently performed are preheating due to suprathermal electrons and shock decay due to a shock-rarefaction interaction. Simple analytic models are described for these two processes and the predictions of these models are compared with those of the LASNEX fluid physics code. We have approached this work not with the view of surpassing or even approaching the reliability of the code calculations, but rather with the aim of providing simple models which may be used for quick parameter-sensitivity evaluations, while providing physical insight into the problems

Tunneling of electrons via rotor–stator molecular interfaces: Combined ab initio and model study

Energy Technology Data Exchange (ETDEWEB)

Petreska, Irina, E-mail: irina.petreska@pmf.ukim.mk [Institute of Physics, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University, PO Box 162, 1000 Skopje, Former Yugolav Republic of Macedonia, The (Macedonia, The Former Yugoslav Republic of); Ohanesjan, Vladimir [Institute of Physics, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University, PO Box 162, 1000 Skopje, Former Yugolav Republic of Macedonia, The (Macedonia, The Former Yugoslav Republic of); Pejov, Ljupčo [Institute of Chemistry, Department of Physical Chemistry, Ss. Cyril and Methodius University, Arhimedova 5, P.O. Box 162, 1000 Skopje, Former Yugolav Republic of Macedonia, The (Macedonia, The Former Yugoslav Republic of); Kocarev, Ljupčo [Macedonian Academy of Sciences and Arts, Krste Misirkov 2, PO Box 428, 1000 Skopje, Former Yugolav Republic of Macedonia, The (Macedonia, The Former Yugoslav Republic of); Faculty of Computer Science and Engineering, Ss. Cyril and Methodius University, Skopje, Former Yugolav Republic of Macedonia, The (Macedonia, The Former Yugoslav Republic of)

2016-07-01

Tunneling of electrons through rotor–stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different shapes of tunneling barriers. Together with a rectangular barrier, we also consider a sinusoidal shape that captures the effects of the molecular internal structure more realistically. Quasiclassical approach with the Simmons’ formula for current density is implemented. Special attention is paid on conformational dependence of the tunneling current. Our results confirm that the presence of the side aldehyde group enhances the interesting electronic properties of the pure anthracene molecule, making it a bistable system with geometry dependent transport properties. We also investigate the transition voltage and we show that conformation-dependent field emission could be observed in these molecular interfaces at realistically low voltages. The present study accompanies our previous work where we investigated the coherent transport via strongly coupled delocalized orbital by application of Non-equilibrium Green’s Function Formalism.

Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view

CERN Document Server

Site, Luigi

2014-01-01

This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem.

Model of e-learning with electronic educational resources of new generation

OpenAIRE

A. V. Loban; D. A. Lovtsov

2017-01-01

Purpose of the article: improving of scientific and methodical base of the theory of the е-learning of variability. Methods used: conceptual and logical modeling of the е-learning of variability process with electronic educational resource of new generation and system analysis of the interconnection of the studied subject area, methods, didactics approaches and information and communication technologies means. Results: the formalization complex model of the е-learning of variability with elec...

Toward Environmentally Robust Organic Electronics: Approaches and Applications.

Science.gov (United States)

Lee, Eun Kwang; Lee, Moo Yeol; Park, Cheol Hee; Lee, Hae Rang; Oh, Joon Hak

2017-11-01

Recent interest in flexible electronics has led to a paradigm shift in consumer electronics, and the emergent development of stretchable and wearable electronics is opening a new spectrum of ubiquitous applications for electronics. Organic electronic materials, such as π-conjugated small molecules and polymers, are highly suitable for use in low-cost wearable electronic devices, and their charge-carrier mobilities have now exceeded that of amorphous silicon. However, their commercialization is minimal, mainly because of weaknesses in terms of operational stability, long-term stability under ambient conditions, and chemical stability related to fabrication processes. Recently, however, many attempts have been made to overcome such instabilities of organic electronic materials. Here, an overview is provided of the strategies developed for environmentally robust organic electronics to overcome the detrimental effects of various critical factors such as oxygen, water, chemicals, heat, and light. Additionally, molecular design approaches to π-conjugated small molecules and polymers that are highly stable under ambient and harsh conditions are explored; such materials will circumvent the need for encapsulation and provide a greater degree of freedom using simple solution-based device-fabrication techniques. Applications that are made possible through these strategies are highlighted. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling ion sensing in molecular electronics

International Nuclear Information System (INIS)

Chen, Caroline J.; Smeu, Manuel; Ratner, Mark A.

2014-01-01

We examine the ability of molecules to sense ions by measuring the change in molecular conductance in the presence of such charged species. The detection of protons (H + ), alkali metal cations (M + ), calcium ions (Ca 2+ ), and hydronium ions (H 3 O + ) is considered. Density functional theory (DFT) is used within the Keldysh non-equilibrium Green's function framework (NEGF) to model electron transport properties of quinolinedithiol (QDT, C 9 H 7 NS 2 ), bridging Al electrodes. The geometry of the transport region is relaxed with DFT. The transport properties of the device are modeled with NEGF-DFT to determine if this device can distinguish among the M + + QDT species containing monovalent cations, where M + = H + , Li + , Na + , or K + . Because of the asymmetry of QDT in between the two electrodes, both positive and negative biases are considered. The electron transmission function and conductance properties are simulated for electrode biases in the range from −0.5 V to 0.5 V at increments of 0.1 V. Scattering state analysis is used to determine the molecular orbitals that are the main contributors to the peaks in the transmission function near the Fermi level of the electrodes, and current-voltage relationships are obtained. The results show that QDT can be used as a proton detector by measuring transport through it and can conceivably act as a pH sensor in solutions. In addition, QDT may be able to distinguish among different monovalent species. This work suggests an approach to design modern molecular electronic conductance sensors with high sensitivity and specificity using well-established quantum chemistry

Reconstructing Regional Ionospheric Electron Density: A Combined Spherical Slepian Function and Empirical Orthogonal Function Approach

Science.gov (United States)

Farzaneh, Saeed; Forootan, Ehsan

2018-03-01

The computerized ionospheric tomography is a method for imaging the Earth's ionosphere using a sounding technique and computing the slant total electron content (STEC) values from data of the global positioning system (GPS). The most common approach for ionospheric tomography is the voxel-based model, in which (1) the ionosphere is divided into voxels, (2) the STEC is then measured along (many) satellite signal paths, and finally (3) an inversion procedure is applied to reconstruct the electron density distribution of the ionosphere. In this study, a computationally efficient approach is introduced, which improves the inversion procedure of step 3. Our proposed method combines the empirical orthogonal function and the spherical Slepian base functions to describe the vertical and horizontal distribution of electron density, respectively. Thus, it can be applied on regional and global case studies. Numerical application is demonstrated using the ground-based GPS data over South America. Our results are validated against ionospheric tomography obtained from the constellation observing system for meteorology, ionosphere, and climate (COSMIC) observations and the global ionosphere map estimated by international centers, as well as by comparison with STEC derived from independent GPS stations. Using the proposed approach, we find that while using 30 GPS measurements in South America, one can achieve comparable accuracy with those from COSMIC data within the reported accuracy (1 × 1011 el/cm3) of the product. Comparisons with real observations of two GPS stations indicate an absolute difference is less than 2 TECU (where 1 total electron content unit, TECU, is 1016 electrons/m2).

Alternative approaches to electronic damage by ion-beam irradiation: Exciton models

Energy Technology Data Exchange (ETDEWEB)

Agullo-Lopez, F.; Munoz-Martin, A.; Zucchiatti, A. [Centro de Micro-Analisis de Materiales, Universidad Autonoma de Madrid, 28049, Madrid (Spain); Climent-Font, A. [Centro de Micro-Analisis de Materiales, Universidad Autonoma de Madrid, 28049, Madrid (Spain); Departamento de Fisica Aplicada, Universidad Autonoma de Madrid, 28049, Madrid (Spain)

2016-11-15

The paper briefly describes the main features of the damage produced by swift heavy ion (SHI) irradiation. After a short revision of the widely used thermal spike concept, it focuses on cumulative mechanisms of track formation which are alternative to those based on lattice melting (thermal spike models). These cumulative mechanisms rely on the production of point defects around the ion trajectory, and their accumulation up to a final lattice collapse or amorphization. As to the formation of point defects, the paper considers those mechanisms relying on direct local conversion of the excitation energy into atomic displacements (exciton models). A particular attention is given to processes based on the non-radiative recombination of excitons that have become self-trapped as a consequence of a strong electron-phonon interaction (STEs). These mechanisms, although operative under purely ionizing radiation in some dielectric materials, have been rarely invoked, so far, to discuss SHI damage. They are discussed in this paper together with relevant examples to materials such as Cu{sub 3}N, alkali halides, SiO{sub 2}, and LiNbO{sub 3}. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Modeling healthcare authorization and claim submissions using the openEHR dual-model approach

Science.gov (United States)

2011-01-01

Background The TISS standard is a set of mandatory forms and electronic messages for healthcare authorization and claim submissions among healthcare plans and providers in Brazil. It is not based on formal models as the new generation of health informatics standards suggests. The objective of this paper is to model the TISS in terms of the openEHR archetype-based approach and integrate it into a patient-centered EHR architecture. Methods Three approaches were adopted to model TISS. In the first approach, a set of archetypes was designed using ENTRY subclasses. In the second one, a set of archetypes was designed using exclusively ADMIN_ENTRY and CLUSTERs as their root classes. In the third approach, the openEHR ADMIN_ENTRY is extended with classes designed for authorization and claim submissions, and an ISM_TRANSITION attribute is added to the COMPOSITION class. Another set of archetypes was designed based on this model. For all three approaches, templates were designed to represent the TISS forms. Results The archetypes based on the openEHR RM (Reference Model) can represent all TISS data structures. The extended model adds subclasses and an attribute to the COMPOSITION class to represent information on authorization and claim submissions. The archetypes based on all three approaches have similar structures, although rooted in different classes. The extended openEHR RM model is more semantically aligned with the concepts involved in a claim submission, but may disrupt interoperability with other systems and the current tools must be adapted to deal with it. Conclusions Modeling the TISS standard by means of the openEHR approach makes it aligned with ISO recommendations and provides a solid foundation on which the TISS can evolve. Although there are few administrative archetypes available, the openEHR RM is expressive enough to represent the TISS standard. This paper focuses on the TISS but its results may be extended to other billing processes. A complete

Model-based confirmation of alternative substrates of mitochondrial electron transport chain.

Science.gov (United States)

Kleessen, Sabrina; Araújo, Wagner L; Fernie, Alisdair R; Nikoloski, Zoran

2012-03-30

Discrimination of metabolic models based on high throughput metabolomics data, reflecting various internal and external perturbations, is essential for identifying the components that contribute to the emerging behavior of metabolic processes. Here, we investigate 12 different models of the mitochondrial electron transport chain (ETC) in Arabidopsis thaliana during dark-induced senescence in order to elucidate the alternative substrates to this metabolic pathway. Our findings demonstrate that the coupling of the proposed computational approach, based on dynamic flux balance analysis, with time-resolved metabolomics data results in model-based confirmations of the hypotheses that, during dark-induced senescence in Arabidopsis, (i) under conditions where the main substrate for the ETC are not fully available, isovaleryl-CoA dehydrogenase and 2-hydroxyglutarate dehydrogenase are able to donate electrons to the ETC, (ii) phytanoyl-CoA does not act even as an indirect substrate of the electron transfer flavoprotein/electron-transfer flavoprotein:ubiquinone oxidoreductase complex, and (iii) the mitochondrial γ-aminobutyric acid transporter has functional significance in maintaining mitochondrial metabolism. Our study provides a basic framework for future in silico studies of alternative pathways in mitochondrial metabolism under extended darkness whereby the role of its components can be computationally discriminated based on available molecular profile data.

The electronic-commerce-oriented virtual merchandise model

Science.gov (United States)

Fang, Xiaocui; Lu, Dongming

2004-03-01

Electronic commerce has been the trend of commerce activities. Providing with Virtual Reality interface, electronic commerce has better expressing capacity and interaction means. But most of the applications of virtual reality technology in EC, 3D model is only the appearance description of merchandises. There is almost no information concerned with commerce information and interaction information. This resulted in disjunction of virtual model and commerce information. So we present Electronic Commerce oriented Virtual Merchandise Model (ECVMM), which combined a model with commerce information, interaction information and figure information of virtual merchandise. ECVMM with abundant information provides better support to information obtainment and communication in electronic commerce.

Intersite electron correlations in a Hubbard model on inhomogeneous lattices

International Nuclear Information System (INIS)

Takemori, Nayuta; Koga, Akihisa; Hafermann, Hartmut

2016-01-01

We study intersite electron correlations in the half-filled Hubbard model on square lattices with periodic and open boundary conditions by means of a real-space dual fermion approach. By calculating renormalization factors, we clarify that nearest-neighbor intersite correlations already significantly reduce the critical interaction. The Mott transition occurs at U/t ∼ 6.4, where U is the interaction strength and t is the hopping integral. This value is consistent with quantum Monte Carlo results. It shows the importance of short-range intersite correlations, which are taken into account in the framework of the real-space dual fermion approach. (paper)

Electronic transport in VO2—Experimentally calibrated Boltzmann transport modeling

International Nuclear Information System (INIS)

Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y.; Kado, Motohisa; Ling, Chen; Zhu, Gaohua; Banerjee, Debasish

2015-01-01

Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO 2 has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO 2 in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO 2 films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties

Semantic modeling and structural synthesis of onboard electronics protection means as open information system

Science.gov (United States)

Zhevnerchuk, D. V.; Surkova, A. S.; Lomakina, L. S.; Golubev, A. S.

2018-05-01

The article describes the component representation approach and semantic models of on-board electronics protection from ionizing radiation of various nature. Semantic models are constructed, the feature of which is the representation of electronic elements, protection modules, sources of impact in the form of blocks with interfaces. The rules of logical inference and algorithms for synthesizing the object properties of the semantic network, imitating the interface between the components of the protection system and the sources of radiation, are developed. The results of the algorithm are considered using the example of radiation-resistant microcircuits 1645RU5U, 1645RT2U and the calculation and experimental method for estimating the durability of on-board electronics.

Final-state interactions and superscaling in the semi-relativistic approach to quasielastic electron and neutrino scattering

International Nuclear Information System (INIS)

Amaro, J. E.; Barbaro, M. B.; Caballero, J. A.; Donnelly, T. W.; Udias, J. M.

2007-01-01

The semi-relativistic approach to electron and neutrino quasielastic scattering from nuclei is extended to include final-state interactions. Starting with the usual nonrelativistic continuum shell model, the problem is relativized by using the semi-relativistic expansion of the current in powers of the initial nucleon momentum and relativistic kinematics. Two different approaches are considered for the final-state interactions: the Smith-Wambach 2p-2h damping model and the Dirac-equation-based potential extracted from a relativistic mean-field plus the Darwin factor. Using the latter, the scaling properties of (e,e ' ) and (ν μ ,μ - ) cross sections for intermediate momentum transfers are investigated

Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

KAUST Repository

Schwingenschlögl, Udo

2009-12-01

Motivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare the generalized gradient approximation to the hybrid functional approach of exact exchange for correlated electrons (EECE). In contrast to the former, the latter reproduces the insulating state of the compound and the midgap states. The EECE approach, in general, appears to be appropriate for describing stripe phases in systems with orbital degrees of freedom. Copyright © EPLA, 2009.

Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach.

Science.gov (United States)

Prucker, V; Bockstedte, M; Thoss, M; Coto, P B

2018-03-28

A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach

Science.gov (United States)

Prucker, V.; Bockstedte, M.; Thoss, M.; Coto, P. B.

2018-03-01

A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

Polaron mobility obtained by a variational approach for lattice Fröhlich models

Science.gov (United States)

Kornjača, Milan; Vukmirović, Nenad

2018-04-01

Charge carrier mobility for a class of lattice models with long-range electron-phonon interaction was investigated. The approach for mobility calculation is based on a suitably chosen unitary transformation of the model Hamiltonian which transforms it into the form where the remaining interaction part can be treated as a perturbation. Relevant spectral functions were then obtained using Matsubara Green's functions technique and charge carrier mobility was evaluated using Kubo's linear response formula. Numerical results were presented for a wide range of electron-phonon interaction strengths and temperatures in the case of one-dimensional version of the model. The results indicate that the mobility decreases with increasing temperature for all electron-phonon interaction strengths in the investigated range, while longer interaction range leads to more mobile carriers.

RAMAN LIGHT SCATTERING IN PSEUDOSPIN-ELECTRON MODEL AT STRONG PSEUDOSPIN-ELECTRON INTERACTION

Directory of Open Access Journals (Sweden)

T.S.Mysakovych

2004-01-01

Full Text Available Anharmonic phonon contributions to Raman scattering in locally anharmonic crystal systems in the framework of the pseudospin-electron model with tunneling splitting of levels are investigated. The case of strong pseudospin-electron coupling is considered. Pseudospin and electron contributions to scattering are taken into account. Frequency dependences of Raman scattering intensity for different values of model parameters and for different polarization of scattering and incident light are investigated.

Teaching Chemistry with Electron Density Models

Science.gov (United States)

Shusterman, Gwendolyn P.; Shusterman, Alan J.

1997-07-01

Linus Pauling once said that a topic must satisfy two criteria before it can be taught to students. First, students must be able to assimilate the topic within a reasonable amount of time. Second, the topic must be relevant to the educational needs and interests of the students. Unfortunately, the standard general chemistry textbook presentation of "electronic structure theory", set as it is in the language of molecular orbitals, has a difficult time satisfying either criterion. Many of the quantum mechanical aspects of molecular orbitals are too difficult for most beginning students to appreciate, much less master, and the few applications that are presented in the typical textbook are too limited in scope to excite much student interest. This article describes a powerful new method for teaching students about electronic structure and its relevance to chemical phenomena. This method, which we have developed and used for several years in general chemistry (G.P.S.) and organic chemistry (A.J.S.) courses, relies on computer-generated three-dimensional models of electron density distributions, and largely satisfies Pauling's two criteria. Students find electron density models easy to understand and use, and because these models are easily applied to a broad range of topics, they successfully convey to students the importance of electronic structure. In addition, when students finally learn about orbital concepts they are better prepared because they already have a well-developed three-dimensional picture of electronic structure to fall back on. We note in this regard that the types of models we use have found widespread, rigorous application in chemical research (1, 2), so students who understand and use electron density models do not need to "unlearn" anything before progressing to more advanced theories.

Application of soft- and hard-modelling approaches to resolution of kinetics of electron donor-acceptor complex formation of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone with imipramine in different solutions

International Nuclear Information System (INIS)

Hasani, Masoumeh; Shariati-Rad, Masoud; Abdollahi, Hamid

2009-01-01

Kinetics of electron donor-acceptor (EDA) complex formation of imipramine and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) was investigated spectrophotometrically in acetonitrile, 1,2-dichloroethane, and chloroform solutions using soft- and hard-modelling approaches. From the results of exploratory analysis of kinetic data and the spectral changes by soft-modelling approaches, evolving factor analysis (EFA) and orthogonal projection approach (OPA), a consecutive two-steps reaction with two intermediates was proposed for the process in acetonitrile and 1,2-dichloroethane media and one with a single intermediate in chloroform solution. Secondly, by applying, multivariate nonlinear least squares hard-modelling approach on the collected experimental kinetic data matrix, the nonlinear parameters (rate constants) as well as the linear parameters (spectral profiles) were obtained by fitting the collected experimental kinetic data matrix to the proposed model. Small values of standard deviation in the resulting parameters and sum of squares of the residuals (ssq) obtained showed the proper selection of the model. Furthermore, the values of lack of fit and percent of explained variance confirmed the correct identified models. Identification of the model with the aid of soft-modelling approaches followed by application of the hard-modelling approaches decreases significantly the rotational ambiguity associated with the obtained concentration and spectral profiles. Variations in the kinetic constants were in complete agreement with the model proposed and the solvent polarities

Application of soft- and hard-modelling approaches to resolution of kinetics of electron donor-acceptor complex formation of 2,3-dichloro-5,6-dicyano-1,4-benzoquinone with imipramine in different solutions

Energy Technology Data Exchange (ETDEWEB)

Hasani, Masoumeh [Faculty of Chemistry, Bu-Ali Sina University, Mahdieh, Hamedan, 65174 (Iran, Islamic Republic of)], E-mail: hasani@basu.ac.ir; Shariati-Rad, Masoud [Faculty of Chemistry, Bu-Ali Sina University, Mahdieh, Hamedan, 65174 (Iran, Islamic Republic of); Abdollahi, Hamid [Department of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan (Iran, Islamic Republic of)

2009-03-23

Kinetics of electron donor-acceptor (EDA) complex formation of imipramine and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) was investigated spectrophotometrically in acetonitrile, 1,2-dichloroethane, and chloroform solutions using soft- and hard-modelling approaches. From the results of exploratory analysis of kinetic data and the spectral changes by soft-modelling approaches, evolving factor analysis (EFA) and orthogonal projection approach (OPA), a consecutive two-steps reaction with two intermediates was proposed for the process in acetonitrile and 1,2-dichloroethane media and one with a single intermediate in chloroform solution. Secondly, by applying, multivariate nonlinear least squares hard-modelling approach on the collected experimental kinetic data matrix, the nonlinear parameters (rate constants) as well as the linear parameters (spectral profiles) were obtained by fitting the collected experimental kinetic data matrix to the proposed model. Small values of standard deviation in the resulting parameters and sum of squares of the residuals (ssq) obtained showed the proper selection of the model. Furthermore, the values of lack of fit and percent of explained variance confirmed the correct identified models. Identification of the model with the aid of soft-modelling approaches followed by application of the hard-modelling approaches decreases significantly the rotational ambiguity associated with the obtained concentration and spectral profiles. Variations in the kinetic constants were in complete agreement with the model proposed and the solvent polarities.

Monoenergetic electron parameters in a spheroid bubble model

Science.gov (United States)

Sattarian, H.; Sh., Rahmatallahpur; Tohidi, T.

2013-02-01

A reliable analytical expression for the potential of plasma waves with phase velocities near the speed of light is derived. The presented spheroid cavity model is more consistent than the previous spherical and ellipsoidal models and it explains the mono-energetic electron trajectory more accurately, especially at the relativistic region. The maximum energy of electrons is calculated and it is shown that the maximum energy of the spheroid model is less than that of the spherical model. The electron energy spectrum is also calculated and it is found that the energy distribution ratio of electrons ΔE/E for the spheroid model under the conditions reported here is half that of the spherical model and it is in good agreement with the experimental value in the same conditions. As a result, the quasi-mono-energetic electron output beam interacting with the laser plasma can be more appropriately described with this model.

Orbital approach to the electronic structure of solids

CERN Document Server

Canadell, Enric; Iung, Christophe

2012-01-01

This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei

An atomic model of brome mosaic virus using direct electron detection and real-space optimization

Science.gov (United States)

Wang, Zhao; Hryc, Corey F.; Bammes, Benjamin; Afonine, Pavel V.; Jakana, Joanita; Chen, Dong-Hua; Liu, Xiangan; Baker, Matthew L.; Kao, Cheng; Ludtke, Steven J.; Schmid, Michael F.; Adams, Paul D.; Chiu, Wah

2014-09-01

Advances in electron cryo-microscopy have enabled structure determination of macromolecules at near-atomic resolution. However, structure determination, even using de novo methods, remains susceptible to model bias and overfitting. Here we describe a complete workflow for data acquisition, image processing, all-atom modelling and validation of brome mosaic virus, an RNA virus. Data were collected with a direct electron detector in integrating mode and an exposure beyond the traditional radiation damage limit. The final density map has a resolution of 3.8 Å as assessed by two independent data sets and maps. We used the map to derive an all-atom model with a newly implemented real-space optimization protocol. The validity of the model was verified by its match with the density map and a previous model from X-ray crystallography, as well as the internal consistency of models from independent maps. This study demonstrates a practical approach to obtain a rigorously validated atomic resolution electron cryo-microscopy structure.

Lie algebraic approach to valence bond theory of π-electron systems: a preliminary study of excited states

Science.gov (United States)

Paldus, J.; Li, X.

1992-10-01

Following a brief outline of various developments and exploitations of the unitary group approach (UGA), and its extension referred to as Clifford algebra UGA (CAUGA), in molecular electronic structure calculations, we present a summary of a recently introduced implementation of CAUGA for the valence bond (VB) method based on the Pariser-Parr-Pople (PPP)-type Hamiltonian. The existing applications of this PPP-VB approach have been limited to groundstates of various π-electron systems or, at any rate, to the lowest states of a given multiplicity. In this paper the method is applied to the low-lying excited states of several archetypal models, namely cyclobutadiene and benzene, representing antiaromatic and aromatic systems, hexatriene, representing linear polyenic systems and, finally, naphthalene, representing polyacenes.

Electron and photon reconstruction and performance in ATLAS using a dynamical, topological cell clustering-based approach

CERN Document Server

The ATLAS collaboration

2017-01-01

The electron and photon reconstruction in ATLAS has moved towards the use of a dynamical, topo- logical cell-based approach for cluster building, owing to advancements in the calibration procedure which allow for such a method to be applied. The move to this new technique allows for improved measurements of electron and photon energies, particularly in situations where an electron radiates a bremsstrahlung photon, or a photon converts to an electron-poistron pair. This note details the changes to the ATLAS electron and photon reconstruction software, and assesses its performance under current LHC luminosity conditions using simulated data. Changes to the converted photon reconstruction are also detailed, which improve the reconstruction efficiency of double-track converted photons, as well as reducing the reconstruction of spurious one-track converted photons. The performance of the new reconstruction algorithm is also presented in a number of important topologies relevant to precision Standard Model physics,...

Approaching an experimental electron density model of the biologically active trans -epoxysuccinyl amide group-Substituent effects vs. crystal packing

Energy Technology Data Exchange (ETDEWEB)

Shi, Ming W.; Stewart, Scott G.; Sobolev, Alexandre N.; Dittrich, Birger; Schirmeister, Tanja; Luger, Peter; Hesse, Malte; Chen, Yu-Sheng; Spackman, Peter R.; Spackman, Mark A.; Grabowsky, Simon (Heinrich-Heine); (Freie); (UC); (Bremen); (JG-UM); (UWA)

2017-01-24

The trans-epoxysuccinyl amide group as a biologically active moiety in cysteine protease inhibitors such as loxistatin acid E64c has been used as a benchmark system for theoretical studies of environmental effects on the electron density of small active ingredients in relation to their biological activity. Here, the synthesis and the electronic properties of the smallest possible active site model compound are reported to close the gap between the unknown experimental electron density of trans-epoxysuccinyl amides and the well-known function of related drugs. Intramolecular substituent effects are separated from intermolecular crystal packing effects on the electron density, which allows us to predict the conditions under which an experimental electron density investigation on trans-epoxysuccinyl amides will be possible. In this context, the special importance of the carboxylic acid function in the model compound for both crystal packing and biological activity is revealed through the novel tool of model energy analysis.

Analysis of operating model of electronic invoice colombian Colombian electronic billing analysis of the operational model

Directory of Open Access Journals (Sweden)

Sérgio Roberto da Silva

2016-06-01

Full Text Available Colombia has been one of the first countries to introduce electronic billing process on a voluntary basis, from a traditional to a digital version. In this context, the article analyzes the electronic billing process implemented in Colombia and the advantages. Methodological research is applied, qualitative, descriptive and documentary; where the regulatory framework and the conceptualization of the model is identified; the process of adoption of electronic billing is analyzed, and finally the advantages and disadvantages of its implementation is analyzed. The findings indicate that the model applied in Colombia to issue an electronic billing in sending and receiving process, is not complex, but it requires a small adequate infrastructure and trained personnel to reach all sectors, especially the micro and business which is the largest business network in the country.

Monoenergetic electron parameters in a spheroid bubble model

International Nuclear Information System (INIS)

Sattarian, H.; Rahmatallahpur, Sh.; Tohidi, T.

2013-01-01

A reliable analytical expression for the potential of plasma waves with phase velocities near the speed of light is derived. The presented spheroid cavity model is more consistent than the previous spherical and ellipsoidal models and it explains the mono-energetic electron trajectory more accurately, especially at the relativistic region. The maximum energy of electrons is calculated and it is shown that the maximum energy of the spheroid model is less than that of the spherical model. The electron energy spectrum is also calculated and it is found that the energy distribution ratio of electrons ΔE/E for the spheroid model under the conditions reported here is half that of the spherical model and it is in good agreement with the experimental value in the same conditions. As a result, the quasi-mono-energetic electron output beam interacting with the laser plasma can be more appropriately described with this model. (physics of gases, plasmas, and electric discharges)

Modelling low energy electron and positron tracks in biologically relevant media

International Nuclear Information System (INIS)

Blanco, F.; Munoz, A.; Almeida, D.; Ferreira da Silva, F.; Limao-Vieira, P.; Fuss, M.C.; Sanz, A.G.; Garcia, G.

2013-01-01

This colloquium describes an approach to incorporate into radiation damage models the effect of low and intermediate energy (0-100 eV) electrons and positrons, slowing down in biologically relevant materials (water and representative biomolecules). The core of the modelling procedure is a C++ computing programme named 'Low Energy Particle Track Simulation (LEPTS)', which is compatible with available general purpose Monte Carlo packages. Input parameters are carefully selected from theoretical and experimental cross section data and energy loss distribution functions. Data sources used for this purpose are reviewed showing examples of electron and positron cross section and energy loss data for interactions with different media of increasing complexity: atoms, molecules, clusters and condense matter. Finally, we show how such a model can be used to develop an effective dosimetric tool at the molecular level (i.e. nanodosimetry). Recent experimental developments to study the fragmentation induced in biologically material by charge transfer from neutrals and negative ions are also included. (authors)

A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory

International Nuclear Information System (INIS)

Sugioka, Yuji; Takayanagi, Toshiyuki

2012-01-01

Highlights: ► Dissociative electron attachment cross sections for polyatomic molecules are calculated by a simple theoretical approach. ► Temperature effects can be reasonably reproduced with the present model. ► All the degrees-of-freedom are taken into account in the present dynamics approach. -- Abstract: We propose a practical computational scheme to obtain temperature dependence of dissociative electron attachment cross sections to polyatomic molecules within a local complex potential theory formalism. First we perform quantum path-integral molecular dynamics simulations on the potential energy surface for the neutral molecule in order to sample initial nuclear configurations as well as momenta. Classical trajectories are subsequently integrated on the potential energy surface for the anionic state and survival probabilities are simultaneously calculated along the obtained trajectories. We have applied this simple scheme to dissociative electron attachment processes to H 2 O and CF 3 Cl, for which several previous studies are available from both the experimental and theoretical sides.

A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory

Energy Technology Data Exchange (ETDEWEB)

Sugioka, Yuji [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Takayanagi, Toshiyuki, E-mail: tako@mail.saitama-u.ac.jp [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan)

2012-09-11

Highlights: Black-Right-Pointing-Pointer Dissociative electron attachment cross sections for polyatomic molecules are calculated by a simple theoretical approach. Black-Right-Pointing-Pointer Temperature effects can be reasonably reproduced with the present model. Black-Right-Pointing-Pointer All the degrees-of-freedom are taken into account in the present dynamics approach. -- Abstract: We propose a practical computational scheme to obtain temperature dependence of dissociative electron attachment cross sections to polyatomic molecules within a local complex potential theory formalism. First we perform quantum path-integral molecular dynamics simulations on the potential energy surface for the neutral molecule in order to sample initial nuclear configurations as well as momenta. Classical trajectories are subsequently integrated on the potential energy surface for the anionic state and survival probabilities are simultaneously calculated along the obtained trajectories. We have applied this simple scheme to dissociative electron attachment processes to H{sub 2}O and CF{sub 3}Cl, for which several previous studies are available from both the experimental and theoretical sides.

Modeling healthcare authorization and claim submissions using the openEHR dual-model approach

Directory of Open Access Journals (Sweden)

Freire Sergio M

2011-10-01

Full Text Available Abstract Background The TISS standard is a set of mandatory forms and electronic messages for healthcare authorization and claim submissions among healthcare plans and providers in Brazil. It is not based on formal models as the new generation of health informatics standards suggests. The objective of this paper is to model the TISS in terms of the openEHR archetype-based approach and integrate it into a patient-centered EHR architecture. Methods Three approaches were adopted to model TISS. In the first approach, a set of archetypes was designed using ENTRY subclasses. In the second one, a set of archetypes was designed using exclusively ADMIN_ENTRY and CLUSTERs as their root classes. In the third approach, the openEHR ADMIN_ENTRY is extended with classes designed for authorization and claim submissions, and an ISM_TRANSITION attribute is added to the COMPOSITION class. Another set of archetypes was designed based on this model. For all three approaches, templates were designed to represent the TISS forms. Results The archetypes based on the openEHR RM (Reference Model can represent all TISS data structures. The extended model adds subclasses and an attribute to the COMPOSITION class to represent information on authorization and claim submissions. The archetypes based on all three approaches have similar structures, although rooted in different classes. The extended openEHR RM model is more semantically aligned with the concepts involved in a claim submission, but may disrupt interoperability with other systems and the current tools must be adapted to deal with it. Conclusions Modeling the TISS standard by means of the openEHR approach makes it aligned with ISO recommendations and provides a solid foundation on which the TISS can evolve. Although there are few administrative archetypes available, the openEHR RM is expressive enough to represent the TISS standard. This paper focuses on the TISS but its results may be extended to other billing

Pseudoclassical approach to electron and ion density correlations in simple liquid metals

International Nuclear Information System (INIS)

Vericat, F.; Tosi, M.P.; Pastore, G.

1986-04-01

Electron-electron and electron-ion structural correlations in simple liquid metals are treated by using effective pair potentials to incorporate quantal effects into a pseudoclassical description of the electron fluid. An effective pair potential between simultaneous electron density fluctuations is first constructed from known properties of the degenerate jellium model, which are the plasmon sum rule, the Kimball-Niklasson relation and Yasuhara's values of the electron pair distribution function at contact. An analytic expression is thereby obtained in the Debye-Hueckel approximation for the electronic structure factor in jellium over a range of density appropriate to metals, with results which compare favourably with those of fully quantal evaluations. A simple pseudoclassical model is then set up for a liquid metal: this involves a model of charged hard spheres for the ion-ion potential and an empty core model for the electron-ion potential, the Coulombic tails being scaled as required by the relation between the long-wavelength partial structure factors and the isothermal compressibility of the metal. The model is solved analytically by a pseudoclassical linear response treatment of the electron-ion coupling and numerical results are reported for partial structure factors in liquid sodium and liquid beryllium. Contact is made for the latter system with data on the electron-electron structure factor in the crystal from inelastic X-ray scattering experiments of Eisenberger, Marra and Brown. (author)

Understanding electron magnetic circular dichroism in a transition potential approach

Science.gov (United States)

Barthel, J.; Mayer, J.; Rusz, J.; Ho, P.-L.; Zhong, X. Y.; Lentzen, M.; Dunin-Borkowski, R. E.; Urban, K. W.; Brown, H. G.; Findlay, S. D.; Allen, L. J.

2018-04-01

This paper introduces an approach based on transition potentials for inelastic scattering to understand the underlying physics of electron magnetic circular dichroism (EMCD). The transition potentials are sufficiently localized to permit atomic-scale EMCD. Two-beam and three-beam systematic row cases are discussed in detail in terms of transition potentials for conventional transmission electron microscopy, and the basic symmetries which arise in the three-beam case are confirmed experimentally. Atomic-scale EMCD in scanning transmission electron microscopy (STEM), using both a standard STEM probe and vortex beams, is discussed.

Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

International Nuclear Information System (INIS)

Saraswati, Teguh Endah; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

2017-01-01

Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH 3 ). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory. (paper)

Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models

Science.gov (United States)

Endah Saraswati, Teguh; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri

2017-01-01

Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH3). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory.

Non-impact modeling of electron broadening of hydrogen spectral lines in dense but relatively cold plasmas

International Nuclear Information System (INIS)

Ferri, S.; Buescher, S.; Wrubel, Th.; Kunze, H.-J.; Calisti, A.; Stamm, R.; Talin, B.

2001-01-01

The standard static-ion/impact-electron theory of line broadening is assessed with calculations of hydrogen lines over a broad range of plasma conditions. In most cases, discrepancies between results from theory and experiments are explained by the neglect of ion-dynamics effects. Nevertheless, recent experiments involving high density but low temperature plasmas indicate that ion-dynamics/impact-electron models may seriously overestimate the broadening for such conditions. We show that the observed discrepancies are not due to the ion modeling but due to the impact approximation of the electrons in the Original Frequency Fluctuation Model (FFM). This situation arises for plasma conditions where the interactions with the electrons are a major broadening mechanism and quasi-static, i.e. non-binary, electron effects are important. An alternative approach to a binary collision operator is therefore proposed by means of the FFM code generalized to the two components (ions and electrons) of the plasma. Accurate simulations accounting for the electron plus ion field dynamics have been used to corroborate the FFM as applied to both ion and electron perturbers, and good agreement is found with recent experiments on H α and P α for dense but relatively cold plasmas

Progress modelling of aqueous electrons and hydroxyl radicals in RAIM code

Energy Technology Data Exchange (ETDEWEB)

Kim, A Yeong; Kim, Han-Chul; Lee, Jongseong [Korea Institute of Nuclear Safety, Daejeon (Korea, Republic of)

2015-10-15

In this paper, the RAIM code was revised minutely with regards to aqueous electrons and hydroxyl radicals, and simulated the P10T2 test. The recent study indicated that the RAIM had the potential for improvement of simulating the iodine behavior influenced by water radiolysis products such as aqueous electrons and hydroxyl radicals. In the existing RAIM modelling, it was considered that aqueous electrons only interacted with oxygen as a consumption reaction, but the reaction with hydrogen peroxide also could be major contributor to the iodine behavior as well as the consumption reaction of aqueous electrons. In case of hydroxyl radicals, RAIM took no notice of the pH impact. In other words, it dealt with the consumption reaction constants but not as a variable of pH. In this communication, the procedures to develop the model related to aqueous electrons and hydroxyl radicals in RAIM will be addressed. And the upgraded RAIM (RAIM-1, 2, 3) codes were applied to OECD-BIP P10T2 test which showed the effect of pH on the iodine behavior and compared with the existing RAIM1.8.3 code. Comparing with the existing RAIM, the improvement reduced the difference about 10%. However, the absolute difference values that is about one order at pH 10 could not be reduced by this approach.

Modeling microwave/electron-cloud interaction

International Nuclear Information System (INIS)

Mattes, M; Sorolla, E; Zimmermann, F

2013-01-01

Starting from the separate codes BI-RME and ECLOUD or PyECLOUD, we are developing a novel joint simulation tool, which models the combined effect of a charged particle beam and of microwaves on an electron cloud. Possible applications include the degradation of microwave transmission in telecommunication satellites by electron clouds; the microwave-transmission techniques being used in particle accelerators for the purpose of electroncloud diagnostics; the microwave emission by the electron cloud itself in the presence of a magnetic field; and the possible suppression of electron-cloud formation in an accelerator by injecting microwaves of suitable amplitude and frequency. A few early simulation results are presented. (author)

Phase-Space Models of Solitary Electron Hoies

DEFF Research Database (Denmark)

Lynov, Jens-Peter; Michelsen, Poul; Pécseli, Hans

1985-01-01

Two different phase-space models of solitary electron holes are investigated and compared with results from computer simulations of an actual laboratory experiment, carried out in a strongly magnetized, cylindrical plasma column. In the two models, the velocity distribution of the electrons...

An Open Architecture Framework for Electronic Warfare Based Approach to HLA Federate Development

Directory of Open Access Journals (Sweden)

HyunSeo Kang

2018-01-01

Full Text Available A variety of electronic warfare models are developed in the Electronic Warfare Research Center. An Open Architecture Framework for Electronic Warfare (OAFEw has been developed for reusability of various object models participating in the electronic warfare simulation and for extensibility of the electronic warfare simulator. OAFEw is a kind of component-based software (SW lifecycle management support framework. This OAFEw is defined by six components and ten rules. The purpose of this study is to construct a Distributed Simulation Interface Model, according to the rules of OAFEw, and create Use Case Model of OAFEw Reference Conceptual Model version 1.0. This is embodied in the OAFEw-FOM (Federate Object Model for High-Level Architecture (HLA based distributed simulation. Therefore, we design and implement EW real-time distributed simulation that can work with a model in C++ and MATLAB API (Application Programming Interface. In addition, OAFEw-FOM, electronic component model, and scenario of the electronic warfare domain were designed through simple scenarios for verification, and real-time distributed simulation between C++ and MATLAB was performed through OAFEw-Distributed Simulation Interface.

Cyber Physical Systems Approach to Power Electronics Education

Directory of Open Access Journals (Sweden)

Marko Vekić

2012-12-01

Full Text Available This paper proposes a Cyber Physical Approach (CPS to power electronics (PE education where all aspects of PE technology from circuit topology to the implementation of real time control code on a microprocessor are dealt with as an inseparable whole, and only the system complexity is increased during the course of instruction. This approach is now made practical thanks to the affordable and unrestricted access to high-power PE laboratory infrastructure (PE laboratory in a box in the form of high-fidelity digital PE emulators with 1us calculation time step and latency.

Molecular self-assembly approaches for supramolecular electronic and organic electronic devices

Science.gov (United States)

Yip, Hin-Lap

Molecular self-assembly represents an efficient bottom-up strategy to generate structurally well-defined aggregates of semiconducting pi-conjugated materials. The capability of tuning the chemical structures, intermolecular interactions and nanostructures through molecular engineering and novel materials processing renders it possible to tailor a large number of unprecedented properties such as charge transport, energy transfer and light harvesting. This approach does not only benefit traditional electronic devices based on bulk materials, but also generate a new research area so called "supramolecular electronics" in which electronic devices are built up with individual supramolecular nanostructures with size in the sub-hundred nanometers range. My work combined molecular self-assembly together with several novel materials processing techniques to control the nucleation and growth of organic semiconducting nanostructures from different type of pi-conjugated materials. By tailoring the interactions between the molecules using hydrogen bonds and pi-pi stacking, semiconducting nanoplatelets and nanowires with tunable sizes can be fabricated in solution. These supramolecular nanostructures were further patterned and aligned on solid substrates through printing and chemical templating methods. The capability to control the different hierarchies of organization on surface provides an important platform to study their structural-induced electronic properties. In addition to using molecular self-assembly to create different organic nanostructures, functional self-assembled monolayer (SAM) formed by spontaneous chemisorption on surfaces was used to tune the interfacial property in organic solar cells. Devices showed dramatically improved performance when appropriate SAMs were applied to optimize the contact property for efficiency charge collection.

General approach to understanding the electronic structure of graphene on metals

International Nuclear Information System (INIS)

Voloshina, E N; Dedkov, Yu S

2014-01-01

This manuscript presents the general approach to the understanding of the connection between bonding mechanism and electronic structure of graphene on metals. To demonstrate its validity, two limiting cases of ‘weakly’ and ‘strongly’ bonded graphene on Al(111) and Ni(111) are considered, where the Dirac cone is preserved or fully destroyed, respectively. Furthermore, the electronic structure, i.e. doping level, hybridization effects, as well as a gap formation at the Dirac point of the intermediate system, graphene/Cu(111), is fully understood in the framework of the proposed approach. This work summarises the long-term debates regarding connection of the bonding strength and the valence band modification in the graphene/metal systems and paves a way for the effective control of the electronic states of graphene in the vicinity of the Fermi level. (paper)

Peculiarities of designing Holistic Electronic Government Services Integration Model

Directory of Open Access Journals (Sweden)

Tadas Limba

2011-12-01

Full Text Available Purpos– the aim ok this paper is to develop a Holistic Electronic Government Services Integration Model which could ensure the efficient integration of electronic government services in the local self-government level.Methodolog– the following analyses have been carried out in thirkpaper: theoretical-systematic; normative and conceptual comparative analysis of the researcha A method of modeling has also been applied.Finding– the scientific work analyzes the improvement opportunities of the models of electronic government services and their application alternatives in Lithuanian municipalities. The newly developed model of electronic government services that has been designed basng on the principle of integrating online expert consultation is primarily targeted at improvement of inside processes’ changes of an organization. Practicing the application of that model in the local self-government level starting with improvement of inside processes of an organization should help adapt more accurately and efficiently to the changing needs of the society while providing electronic government services, thus establishing a higher public value.Practical implication– the practical novelty of work is reflected not only through the integration opportunities’ assessment of the principle of online expert consultation services into the theoretical models of electronic government services that have already been developed by the scientists, but also on the basis of this principle there has been created a “Holistic Electronic Government Services Integration Model” in accordance with “E-Diamond” model basis and its practical application realization with the design of “The project of implementing the principle of online expert consultation on the model of electronic government services” for the future investigations.Originalit– the systematic, comparative analysis of the models of electronic government services carried out in the scientific

Assessing electronic health record systems in emergency departments: Using a decision analytic Bayesian model.

Science.gov (United States)

Ben-Assuli, Ofir; Leshno, Moshe

2016-09-01

In the last decade, health providers have implemented information systems to improve accuracy in medical diagnosis and decision-making. This article evaluates the impact of an electronic health record on emergency department physicians' diagnosis and admission decisions. A decision analytic approach using a decision tree was constructed to model the admission decision process to assess the added value of medical information retrieved from the electronic health record. Using a Bayesian statistical model, this method was evaluated on two coronary artery disease scenarios. The results show that the cases of coronary artery disease were better diagnosed when the electronic health record was consulted and led to more informed admission decisions. Furthermore, the value of medical information required for a specific admission decision in emergency departments could be quantified. The findings support the notion that physicians and patient healthcare can benefit from implementing electronic health record systems in emergency departments. © The Author(s) 2015.

Model Comparison for Electron Thermal Transport

Science.gov (United States)

Moses, Gregory; Chenhall, Jeffrey; Cao, Duc; Delettrez, Jacques

2015-11-01

Four electron thermal transport models are compared for their ability to accurately and efficiently model non-local behavior in ICF simulations. Goncharov's transport model has accurately predicted shock timing in implosion simulations but is computationally slow and limited to 1D. The iSNB (implicit Schurtz Nicolai Busquet electron thermal transport method of Cao et al. uses multigroup diffusion to speed up the calculation. Chenhall has expanded upon the iSNB diffusion model to a higher order simplified P3 approximation and a Monte Carlo transport model, to bridge the gap between the iSNB and Goncharov models while maintaining computational efficiency. Comparisons of the above models for several test problems will be presented. This work was supported by Sandia National Laboratory - Albuquerque and the University of Rochester Laboratory for Laser Energetics.

Model of electron capture in low-temperature glasses

International Nuclear Information System (INIS)

Bartczak, W.M.; Swiatla, D.; Kroh, J.

1983-01-01

The new model of electron capture by a statistical variety of traps in glassy matrices is proposed. The electron capture is interpreted as the radiationless transition (assisted by multiphonon emission) of the mobile electron to the localized state in the trap. The conception of 'unfair' and 'fair' traps is introduced. The 'unfair' trap captures the mobile electron by the shallow excited state. In contrast, the 'fair' trap captures the electron by the ground state. The model calculations of the statistical distributions of the occupied electron traps are presented and discussed with respect to experimental results. (author)

Modeling a Miniaturized Scanning Electron Microscope Focusing Column - Lessons Learned in Electron Optics Simulation

Science.gov (United States)

Loyd, Jody; Gregory, Don; Gaskin, Jessica

2016-01-01

/Fourier series hybrid approach. The presentation will give background remarks about the MSFC mini Lunar SEM concept and electron optics modeling, followed by a description of the alternate field modeling techniques that were tried, along with their incorporation into a ray-trace simulation. Next, the validation of this simulation against commercially available software will be discussed using an example lens as a test case. Then, the efficacy of aberration assessment using direct ray-tracing will be demonstrated, using this same validation case. The discussion will include practical error checks of the field solution. Finally, the ray-trace assessment of the MSFC mini Lunar SEM concept will be shown and discussed. The authors believe this presentation will be of general interest to practitioners of modeling and simulation, as well as those with a general optics background. Because electron optics and photon optics share many basic concepts (e.g., lenses, images, aberrations, etc.), the appeal of this presentation need not be restricted to just those interested in charged particle optics.

USign--a security enhanced electronic consent model.

Science.gov (United States)

Li, Yanyan; Xie, Mengjun; Bian, Jiang

2014-01-01

Electronic consent becomes increasingly popular in the healthcare sector given the many benefits it provides. However, security concerns, e.g., how to verify the identity of a person who is remotely accessing the electronic consent system in a secure and user-friendly manner, also arise along with the popularity of electronic consent. Unfortunately, existing electronic consent systems do not pay sufficient attention to those issues. They mainly rely on conventional password based authentication to verify the identity of an electronic consent user, which is far from being sufficient given that identity theft threat is real and significant in reality. In this paper, we present a security enhanced electronic consent model called USign. USign enhances the identity protection and authentication for electronic consent systems by leveraging handwritten signatures everyone is familiar with and mobile computing technologies that are becoming ubiquitous. We developed a prototype of USign and conducted preliminary evaluation on accuracy and usability of signature verification. Our experimental results show the feasibility of the proposed model.

Lessons on electronic decoherence in molecules from exact modeling

Science.gov (United States)

Hu, Wenxiang; Gu, Bing; Franco, Ignacio

2018-04-01

Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the electronic decoherence dynamics of a model many-body molecular system described by the Su-Schrieffer-Heeger Hamiltonian with Hubbard electron-electron interactions using an exact method in which both electronic and nuclear degrees of freedom are taken into account explicitly and fully quantum mechanically. To represent the electron-nuclear Hamiltonian in matrix form and propagate the dynamics, the computations employ the Jordan-Wigner transformation for the fermionic creation/annihilation operators and the discrete variable representation for the nuclear operators. The simulations offer a standard for electronic decoherence that can be used to test approximations. They also provide a useful platform to answer fundamental questions about electronic decoherence that cannot be addressed through approximate or implicit schemes. Specifically, through simulations, we isolate basic mechanisms for electronic coherence loss and demonstrate that electronic decoherence is possible even for one-dimensional nuclear bath. Furthermore, we show that (i) decreasing the mass of the bath generally leads to faster electronic decoherence; (ii) electron-electron interactions strongly affect the electronic decoherence when the electron-nuclear dynamics is not pure-dephasing; (iii) classical bath models with initial conditions sampled from the Wigner distribution accurately capture the short-time electronic decoherence dynamics; (iv) model separable initial superpositions often used to understand decoherence after photoexcitation are only relevant in experiments that employ delta-like laser pulses to initiate the dynamics. These insights can be employed to interpret and properly model coherence phenomena in molecules.

Modeling molecular acidity with electronic properties and Hammett constants for substituted benzoic acids.

Science.gov (United States)

Huang, Ying; Liu, Lianghong; Liu, Wanhui; Liu, Shaogang; Liu, Shubin

2011-12-29

Molecular acidity is an important physiochemical property essential in many fields of molecular studies, but an efficient and reliable computational approach to make accurate predictions is still missing. In this work, based on our previous studies to use gas phase electronic properties such as molecular electrostatic potential and valence natural atomic orbitals of the acidic atom and leaving proton, we demonstrate here that different approaches can be employed to tackle this problem. To that end, we employ 196 singly, doubly, and triply substituted benzoic acids for the study. We show that two different approaches are possible, one focusing on the carboxyl group through its localized electronic properties and the other on the substituting groups via Hammett constants and their additivity rule. Our present results clearly exhibit that with the linear models built from the singly substituted species, one can accurately predict the pK(a) values for the doubly and triply substituted species with both of these two approaches. The predictions from these approaches are consistent with each other and agree well with the experimental data. These intrinsically different approaches are the two manifestations of the same molecular acidity property, both valid and complementary to each other. © 2011 American Chemical Society

Generative electronic background music system

Energy Technology Data Exchange (ETDEWEB)

Mazurowski, Lukasz [Faculty of Computer Science, West Pomeranian University of Technology in Szczecin, Zolnierska Street 49, Szczecin, PL (Poland)

2015-03-10

In this short paper-extended abstract the new approach to generation of electronic background music has been presented. The Generative Electronic Background Music System (GEBMS) has been located between other related approaches within the musical algorithm positioning framework proposed by Woller et al. The music composition process is performed by a number of mini-models parameterized by further described properties. The mini-models generate fragments of musical patterns used in output composition. Musical pattern and output generation are controlled by container for the mini-models - a host-model. General mechanism has been presented including the example of the synthesized output compositions.

Generative electronic background music system

International Nuclear Information System (INIS)

Mazurowski, Lukasz

2015-01-01

In this short paper-extended abstract the new approach to generation of electronic background music has been presented. The Generative Electronic Background Music System (GEBMS) has been located between other related approaches within the musical algorithm positioning framework proposed by Woller et al. The music composition process is performed by a number of mini-models parameterized by further described properties. The mini-models generate fragments of musical patterns used in output composition. Musical pattern and output generation are controlled by container for the mini-models - a host-model. General mechanism has been presented including the example of the synthesized output compositions

Prediction Model for Relativistic Electrons at Geostationary Orbit

Science.gov (United States)

Khazanov, George V.; Lyatsky, Wladislaw

2008-01-01

We developed a new prediction model for forecasting relativistic (greater than 2MeV) electrons, which provides a VERY HIGH correlation between predicted and actually measured electron fluxes at geostationary orbit. This model implies the multi-step particle acceleration and is based on numerical integrating two linked continuity equations for primarily accelerated particles and relativistic electrons. The model includes a source and losses, and used solar wind data as only input parameters. We used the coupling function which is a best-fit combination of solar wind/interplanetary magnetic field parameters, responsible for the generation of geomagnetic activity, as a source. The loss function was derived from experimental data. We tested the model for four year period 2004-2007. The correlation coefficient between predicted and actual values of the electron fluxes for whole four year period as well as for each of these years is stable and incredibly high (about 0.9). The high and stable correlation between the computed and actual electron fluxes shows that the reliable forecasting these electrons at geostationary orbit is possible.

Theoretical modeling of electronic transport in molecular devices

Science.gov (United States)

Piccinin, Simone

In this thesis a novel approach for simulating electronic transport in nanoscale structures is introduced. We consider an open quantum system (the electrons of structure) accelerated by an external electromotive force and dissipating energy through inelastic scattering with a heat bath (phonons) acting on the electrons. This method can be regarded as a quantum-mechanical extension of the semi-classical Boltzmann transport equation. We use periodic boundary conditions and employ Density Functional Theory to recast the many-particle problem in an effective single-particle mean-field problem. By explicitly treating the dissipation in the electrodes, the behavior of the potential is an outcome of our method, at variance with the scattering approaches based on the Landauer formalism. We study the self-consistent steady-state solution, analyzing the out-of-equilibrium electron distribution, the electrical characteristics, the behavior of the self-consistent potential and the density of states of the system. We apply the method to the study of electronic transport in several molecular devices, consisting of small organic molecules or atomic wires sandwiched between gold surfaces. For gold wires we recover the experimental evidence that transport in short wires is ballistic, independent of the length of the wire and with conductance of one quantum. In benzene-1,4-dithiol we find that the delocalization of the frontier orbitals of the molecule is responsible for the high value of conductance and that, by inserting methylene groups to decouple the sulfur atoms from the carbon ring, the current is reduced, in agreement with the experimental measurements. We study the effect a geometrical distortion in a molecular device, namely the relative rotation of the carbon rings in a biphenyl-4,4'-dithiol molecule. We find that the reduced coupling between pi orbitals of the rings induced by the rotation leads to a reduction of the conductance and that this behavior is captured by a

Band-structure-based collisional model for electronic excitations in ion-surface collisions

International Nuclear Information System (INIS)

Faraggi, M.N.; Gravielle, M.S.; Alducin, M.; Silkin, V.M.; Juaristi, J.I.

2005-01-01

Energy loss per unit path in grazing collisions with metal surfaces is studied by using the collisional and dielectric formalisms. Within both theories we make use of the band-structure-based (BSB) model to represent the surface interaction. The BSB approach is based on a model potential and provides a precise description of the one-electron states and the surface-induced potential. The method is applied to evaluate the energy lost by 100 keV protons impinging on aluminum surfaces at glancing angles. We found that when the realistic BSB description of the surface is used, the energy loss obtained from the collisional formalism agrees with the dielectric one, which includes not only binary but also plasmon excitations. The distance-dependent stopping power derived from the BSB model is in good agreement with available experimental data. We have also investigated the influence of the surface band structure in collisions with the Al(100) surface. Surface-state contributions to the energy loss and electron emission probability are analyzed

Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors: A Green function approach

Science.gov (United States)

Saniz, R.; Partoens, B.; Peeters, F. M.

2013-02-01

The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.

Electron-positron correlations in an electron liquid

International Nuclear Information System (INIS)

Stachowiak, H.

1980-01-01

The importance of studying electron-positron interaction for the interpretation of angular correlation data obtained for metallic systems is emphasized. The most successful approaches to electron-positron correlations in jellium are presented. Those include the Bethe-Goldstone two-body equation proposed by Kahana, the charge-density-dielectric function approach connected with the names of Singwi, Sjolander, Stott and Bhattacharyya and the Sawada boson-generalized Tamm-Dancoff approach elaborated recently by Arponen and Pajanne. In conclusion, it is reported that one can consider that the behaviour of a positron at rest in jellium is relatively well understood, though the problem of the optimal choice of a two-body electron-positron phenomenological equation is still open. Also, the behaviour of a positron in a real metal is not well understood and so far, serious calculations in this field have been performed only on very simple models while realistic calculations of the ACPAQ curves tend to minimize the importance of the problems which remain to be solved. (K.B.)

Stochastic model of the spinning electron

International Nuclear Information System (INIS)

Simaciu, I.; Borsos, Z.

2002-01-01

In Stochastic Electrodynamics (SED) it is demonstrated that electrostatic interaction is the result of the scattering of the Classical Zero-Point Field (CZPF) background by the charged particles. In such models, the electron is modelled as a two-dimensional oscillator, which interacts with the electric component of the CZPF background. The electron with spin is not only an electric monopole but also a magnetic dipole. The interaction of the spin electron with the CZPF background is not only electric but also magnetic. We calculate the scattering cross-section of magnetic dipole in the situation when a magnetic field, variable in time B arrow = B 0 arrow sin ωt, acts over the rigid magnetic dipole given by the symmetry of the model. The cross-section of a magnetic dipole σ m must be equal to the cross-section of an electric monopole σ e . This equality between σ m and σ e cross-sections is motivated, too, by the fact that, in the model of the two-dimensional oscillator, the electric charge q e has the motion speed c. (authors)

Electronic transport in VO{sub 2}—Experimentally calibrated Boltzmann transport modeling

Energy Technology Data Exchange (ETDEWEB)

Kinaci, Alper; Rosenmann, Daniel; Chan, Maria K. Y., E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Center for Nanoscale Materials, Argonne National Laboratory, Argonne, Illinois 60439 (United States); Kado, Motohisa [Higashifuji Technical Center, Toyota Motor Corporation, Susono, Shizuoka 410-1193 (Japan); Ling, Chen; Zhu, Gaohua; Banerjee, Debasish, E-mail: debasish.banerjee@toyota.com, E-mail: mchan@anl.gov [Materials Research Department, Toyota Motor Engineering and Manufacturing North America, Inc., Ann Arbor, Michigan 48105 (United States)

2015-12-28

Materials that undergo metal-insulator transitions (MITs) are under intense study, because the transition is scientifically fascinating and technologically promising for various applications. Among these materials, VO{sub 2} has served as a prototype due to its favorable transition temperature. While the physical underpinnings of the transition have been heavily investigated experimentally and computationally, quantitative modeling of electronic transport in the two phases has yet to be undertaken. In this work, we establish a density-functional-theory (DFT)-based approach with Hubbard U correction (DFT + U) to model electronic transport properties in VO{sub 2} in the semiconducting and metallic regimes, focusing on band transport using the Boltzmann transport equations. We synthesized high quality VO{sub 2} films and measured the transport quantities across the transition, in order to calibrate the free parameters in the model. We find that the experimental calibration of the Hubbard correction term can efficiently and adequately model the metallic and semiconducting phases, allowing for further computational design of MIT materials for desirable transport properties.

Teaching Electronic Literacy A Concepts-Based Approach for School Library Media Specialists

CERN Document Server

Craver, Kathleen W

1997-01-01

School library media specialists will find this concepts-based approach to teaching electronic literacy an indispensable basic tool for instructing students and teachers. It provides step-by-step instruction on how to find and evaluate needed information from electronic databases and the Internet, how to formulate successful electronic search strategies and retrieve relevant results, and how to interpret and critically analyze search results. The chapters contain a suggested lesson plan and sample assignments for the school library media specialist to use in teaching electronic literacy skills

Analytic approach to auroral electron transport and energy degradation

International Nuclear Information System (INIS)

Stamnes, K.

1980-01-01

The interaction of a beam of auroral electrons with the atmosphere is described by the linear transport equation, encompassing discrete energy loss, multiple scattering, and secondary electrons. A solution to the transport equation provides the electron intensity as a function of altitude, pitch angle (with respect to the geomagnetic field) and energy. A multi-stream (discrete ordinate) approximation to the transport equation is developed. An analytic solution is obtained in this approximation. The computational scheme obtained by combining the present transport code with the energy degradation method of Swartz (1979) conserves energy identically. The theory provides a framework within which angular distributions can be easily calculated and interpreted. Thus, a detailed study of the angular distributions of 'non-absorbed' electrons (i.e., electrons that have lost just a small fraction of their incident energy) reveals a systematic variation with incident angle and energy, and with penetration depth. The present approach also gives simple yet accurate solutions in low order multi-stream approximations. The accuracy of the four-stream approximation is generally within a few per cent, whereas two-stream results for backscattered mean intensities and fluxes are accurate to within 10-15%. (author)

Kinetic electron model for plasma thruster plumes

Science.gov (United States)

Merino, Mario; Mauriño, Javier; Ahedo, Eduardo

2018-03-01

A paraxial model of an unmagnetized, collisionless plasma plume expanding into vacuum is presented. Electrons are treated kinetically, relying on the adiabatic invariance of their radial action integral for the integration of Vlasov's equation, whereas ions are treated as a cold species. The quasi-2D plasma density, self-consistent electric potential, and electron pressure, temperature, and heat fluxes are analyzed. In particular, the model yields the collisionless cooling of electrons, which differs from the Boltzmann relation and the simple polytropic laws usually employed in fluid and hybrid PIC/fluid plume codes.

Band electron spectrum and thermodynamic properties of the pseudospin-electron model with tunneling splitting of levels

Directory of Open Access Journals (Sweden)

O.Ya.Farenyuk

2006-01-01

Full Text Available The pseudospin-electron model with tunneling splitting of levels is considered. Generalization of dynamic mean-field method for systems with correlated hopping was applied to the investigation of the model. Electron spectra, electron concentrations, average values of pseudospins and grand canonical potential were calculated within the alloy-analogy approximation. Electron spectrum and dependencies of the electron concentrations on chemical potential were obtained. It was shown that in the alloy-analogy approximation, the model possesses the first order phase transition to ferromagnetic state with the change of chemical potential and the second order phase transition with the change of temperature.

Some consequences of a scale-breaking model in electron and neutrino deep inelastic scattering

International Nuclear Information System (INIS)

Fernandez Pacheco, A.; Grifols, J.A.; Schmidt, I.A.

1978-01-01

Electron and neutrino deep inelastic processes, extending a simple parton model explanation of the approach to scaling observed in electroproduction at large x are analyzed. The model is successful in fitting the present experimental data without any explicit effects from asymptotic freedom or new quarks. This model has a large q 2 behaviour which is quite different from that expected in asymptotic freedom (AF) theories and comparisons to data can be used to sharpen any experimental demonstration of AF effects. Of course, the model is consistent with AF and both effects could be present

Electron conductivity model for dense plasmas

International Nuclear Information System (INIS)

Lee, Y.T.; More, R.M.

1984-01-01

An electron conductivity model for dense plasmas is described which gives a consistent and complete set of transport coefficients including not only electrical conductivity and thermal conductivity, but also thermoelectric power, and Hall, Nernst, Ettinghausen, and Leduc--Righi coefficients. The model is useful for simulating plasma experiments with strong magnetic fields. The coefficients apply over a wide range of plasma temperature and density and are expressed in a computationally simple form. Different formulas are used for the electron relaxation time in plasma, liquid, and solid phases. Comparisons with recent calculations and available experimental measurement show the model gives results which are sufficiently accurate for many practical applications

Simple model of electron beam initiated dielectric breakdown

International Nuclear Information System (INIS)

Beers, B.L.; Daniell, R.E.; Delmer, T.N.

1985-01-01

A steady state model that describes the internal charge distribution of a planar dielectric sample exposed to a uniform electron beam was developed. The model includes the effects of charge deposition and ionization of the beam, separate trap-modulated mobilities for electrons and holes, electron-hole recombination, and pair production by drifting thermal electrons. If the incident beam current is greater than a certain critical value (which depends on sample thickness as well as other sample properties), the steady state solution is non-physical

Using GPU to calculate electron dose for hybrid pencil beam model

International Nuclear Information System (INIS)

Guo Chengjun; Li Xia; Hou Qing; Wu Zhangwen

2011-01-01

Hybrid pencil beam model (HPBM) offers an efficient approach to calculate the three-dimension dose distribution from a clinical electron beam. Still, clinical radiation treatment activity desires faster treatment plan process. Our work presented the fast implementation of HPBM-based electron dose calculation using graphics processing unit (GPU). The HPBM algorithm was implemented in compute unified device architecture running on the GPU, and C running on the CPU, respectively. Several tests with various sizes of the field, beamlet and voxel were used to evaluate our implementation. On an NVIDIA GeForce GTX470 GPU card, we achieved speedup factors of 2.18- 98.23 with acceptable accuracy, compared with the results from a Pentium E5500 2.80 GHz Dual-core CPU. (authors)

Multilevel Molecular Modeling Approach for a Rational Design of Ionic Current Sensors for Nanofluidics.

Science.gov (United States)

Kirch, Alexsandro; de Almeida, James M; Miranda, Caetano R

2018-05-10

The complexity displayed by nanofluidic-based systems involves electronic and dynamic aspects occurring across different size and time scales. To properly model such kind of system, we introduced a top-down multilevel approach, combining molecular dynamics simulations (MD) with first-principles electronic transport calculations. The potential of this technique was demonstrated by investigating how the water and ionic flow through a (6,6) carbon nanotube (CNT) influences its electronic transport properties. We showed that the confinement on the CNT favors the partially hydrated Na, Cl, and Li ions to exchange charge with the nanotube. This leads to a change in the electronic transmittance, allowing for the distinguishing of cations from anions. Such an ionic trace may handle an indirect measurement of the ionic current that is recorded as a sensing output. With this case study, we are able to show the potential of this top-down multilevel approach, to be applied on the design of novel nanofluidic devices.

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.

Path integral approach to electron scattering in classical electromagnetic potential

International Nuclear Information System (INIS)

Xu Chuang; Feng Feng; Li Ying-Jun

2016-01-01

As is known to all, the electron scattering in classical electromagnetic potential is one of the most widespread applications of quantum theory. Nevertheless, many discussions about electron scattering are based upon single-particle Schrodinger equation or Dirac equation in quantum mechanics rather than the method of quantum field theory. In this paper, by using the path integral approach of quantum field theory, we perturbatively evaluate the scattering amplitude up to the second order for the electron scattering by the classical electromagnetic potential. The results we derive are convenient to apply to all sorts of potential forms. Furthermore, by means of the obtained results, we give explicit calculations for the one-dimensional electric potential. (paper)

Automatic tuning of free electron lasers

Energy Technology Data Exchange (ETDEWEB)

Agapov, Ilya; Zagorodnov, Igor [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Geloni, Gianluca [European XFEL, Schenefeld (Germany); Tomin, Sergey [European XFEL, Schenefeld (Germany); NRC Kurchatov Institute, Moscow (Russian Federation)

2017-04-07

Existing FEL facilities often suffer from stability issues: so electron orbit, transverse electron optics, electron bunch compression and other parameters have to be readjusted often to account for drifts in performance of various components. The tuning procedures typically employed in operation are often manual and lengthy. We have been developing a combination of model-free and model-based automatic tuning methods to meet the needs of present and upcoming XFEL facilities. Our approach has been implemented at FLASH to achieve automatic SASE tuning using empirical control of orbit, electron optics and bunch compression. In this paper we describe our approach to empirical tuning, the software which implements it, and the results of using it at FLASH.We also discuss the potential of using machine learning and model-based techniques in tuning methods.

Automatic tuning of free electron lasers

International Nuclear Information System (INIS)

Agapov, Ilya; Zagorodnov, Igor; Geloni, Gianluca; Tomin, Sergey

2017-01-01

Existing FEL facilities often suffer from stability issues: so electron orbit, transverse electron optics, electron bunch compression and other parameters have to be readjusted often to account for drifts in performance of various components. The tuning procedures typically employed in operation are often manual and lengthy. We have been developing a combination of model-free and model-based automatic tuning methods to meet the needs of present and upcoming XFEL facilities. Our approach has been implemented at FLASH to achieve automatic SASE tuning using empirical control of orbit, electron optics and bunch compression. In this paper we describe our approach to empirical tuning, the software which implements it, and the results of using it at FLASH.We also discuss the potential of using machine learning and model-based techniques in tuning methods.

Energy-weighted dynamical scattering simulations of electron diffraction modalities in the scanning electron microscope.

Science.gov (United States)

Pascal, Elena; Singh, Saransh; Callahan, Patrick G; Hourahine, Ben; Trager-Cowan, Carol; Graef, Marc De

2018-04-01

Transmission Kikuchi diffraction (TKD) has been gaining momentum as a high resolution alternative to electron back-scattered diffraction (EBSD), adding to the existing electron diffraction modalities in the scanning electron microscope (SEM). The image simulation of any of these measurement techniques requires an energy dependent diffraction model for which, in turn, knowledge of electron energies and diffraction distances distributions is required. We identify the sample-detector geometry and the effect of inelastic events on the diffracting electron beam as the important factors to be considered when predicting these distributions. However, tractable models taking into account inelastic scattering explicitly are lacking. In this study, we expand the Monte Carlo (MC) energy-weighting dynamical simulations models used for EBSD [1] and ECP [2] to the TKD case. We show that the foil thickness in TKD can be used as a means of energy filtering and compare band sharpness in the different modalities. The current model is shown to correctly predict TKD patterns and, through the dictionary indexing approach, to produce higher quality indexed TKD maps than conventional Hough transform approach, especially close to grain boundaries. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

The principles of electronic and electromechanic power conversion a systems approach

CERN Document Server

Ferreira, Braham

2013-01-01

Teaching the principles of power electronics and electromechanical power conversion through a unique top down systems approach, The Principles of Electromechanical Power Conversion takes the role and system context of power conversion functions as the starting point. Following this approach, the text defines the building blocks of the system and describes the theory of how they exchange power with each other. The authors introduce a modern, simple approach to machines, which makes the principles of field oriented control and space vector theory approachable to undergraduate students as well as

Classical molecular dynamics simulation of electronically non-adiabatic processes.

Science.gov (United States)

Miller, William H; Cotton, Stephen J

2016-12-22

Both classical and quantum mechanics (as well as hybrids thereof, i.e., semiclassical approaches) find widespread use in simulating dynamical processes in molecular systems. For large chemical systems, however, which involve potential energy surfaces (PES) of general/arbitrary form, it is usually the case that only classical molecular dynamics (MD) approaches are feasible, and their use is thus ubiquitous nowadays, at least for chemical processes involving dynamics on a single PES (i.e., within a single Born-Oppenheimer electronic state). This paper reviews recent developments in an approach which extends standard classical MD methods to the treatment of electronically non-adiabatic processes, i.e., those that involve transitions between different electronic states. The approach treats nuclear and electronic degrees of freedom (DOF) equivalently (i.e., by classical mechanics, thereby retaining the simplicity of standard MD), and provides "quantization" of the electronic states through a symmetrical quasi-classical (SQC) windowing model. The approach is seen to be capable of treating extreme regimes of strong and weak coupling between the electronic states, as well as accurately describing coherence effects in the electronic DOF (including the de-coherence of such effects caused by coupling to the nuclear DOF). A survey of recent applications is presented to illustrate the performance of the approach. Also described is a newly developed variation on the original SQC model (found universally superior to the original) and a general extension of the SQC model to obtain the full electronic density matrix (at no additional cost/complexity).

Research on lightning stroke model and characteristics of electronic transformer

Directory of Open Access Journals (Sweden)

Li Mu

2018-01-01

Full Text Available In order to improve the reliability of power supply, a large number of electronic voltage and current transformers are used in digital substations. In this paper, the mathematical model of the electronic transformer is analyzed firstly, and its circuit model is given. According to the difference of working characteristics between voltage transformer and current transformer, the circuit model of voltage type electronic transformer and current type electronic transformer is given respectively. By analyzing their broadband transmission characteristics, the accuracy of the model is verified, and their lightning analysis models are obtained.

Student use of model-based reasoning when troubleshooting an electronic circuit

Science.gov (United States)

Lewandowski, Heather; Stetzer, Mackenzie; van de Bogart, Kevin; Dounas-Frazer, Dimitri

2016-03-01

Troubleshooting systems is an integral part of experimental physics in both research and educational settings. Accordingly, ability to troubleshoot is an important learning goal for undergraduate physics lab courses. We investigate students' model-based reasoning on a troubleshooting task using data collected in think-aloud interviews during which pairs of students from two institutions attempted to diagnose and repair a malfunctioning circuit. Our analysis scheme was informed by the Experimental Modeling Framework, which describes physicists' use of mathematical and conceptual models when reasoning about experimental systems. We show that system and subsystem models were crucial for the evaluation of repairs to the circuit and played an important role in some troubleshooting strategies. Finally, drawing on data from interviews with electronics instructors from a broad range of institution types, we outline recommendations for model-based approaches to teaching and learning troubleshooting skills.

Quantum Geometry: Relativistic energy approach to cooperative electron-nucleary-transition spectrum

Directory of Open Access Journals (Sweden)

Ольга Юрьевна Хецелиус

2014-11-01

Full Text Available An advanced relativistic energy approach is presented and applied to calculating parameters of electron-nuclear 7-transition spectra of nucleus in the atom. The intensities of the spectral satellites are defined in the relativistic version of the energy approach (S-matrix formalism, and gauge-invariant quantum-electrodynamical perturbation theory with the Dirac-Kohn-Sham density-functional zeroth approximation.

Materials and processing approaches for foundry-compatible transient electronics

Science.gov (United States)

Chang, Jan-Kai; Fang, Hui; Bower, Christopher A.; Song, Enming; Yu, Xinge; Rogers, John A.

2017-07-01

Foundry-based routes to transient silicon electronic devices have the potential to serve as the manufacturing basis for “green” electronic devices, biodegradable implants, hardware secure data storage systems, and unrecoverable remote devices. This article introduces materials and processing approaches that enable state-of-the-art silicon complementary metal-oxide-semiconductor (CMOS) foundries to be leveraged for high-performance, water-soluble forms of electronics. The key elements are (i) collections of biodegradable electronic materials (e.g., silicon, tungsten, silicon nitride, silicon dioxide) and device architectures that are compatible with manufacturing procedures currently used in the integrated circuit industry, (ii) release schemes and transfer printing methods for integration of multiple ultrathin components formed in this way onto biodegradable polymer substrates, and (iii) planarization and metallization techniques to yield interconnected and fully functional systems. Various CMOS devices and circuit elements created in this fashion and detailed measurements of their electrical characteristics highlight the capabilities. Accelerated dissolution studies in aqueous environments reveal the chemical kinetics associated with the underlying transient behaviors. The results demonstrate the technical feasibility for using foundry-based routes to sophisticated forms of transient electronic devices, with functional capabilities and cost structures that could support diverse applications in the biomedical, military, industrial, and consumer industries.

The Chemical Modeling of Electronic Materials and Interconnections

Science.gov (United States)

Kivilahti, J. K.

2002-12-01

Thermodynamic and kinetic modeling, together with careful experimental work, is of great help for developing new electronic materials such as lead-free solders, their compatible metallizations and diffusion-barrier layers, as well as joining and bonding processes for advanced electronics manufacturing. When combined, these modeling techniques lead to a rationalization of the trial-and-error methods employed in the electronics industry, limiting experimentation and, thus, reducing significantly time-to-market of new products. This modeling provides useful information on the stabilities of phases (microstructures), driving forces for chemical reactions, and growth rates of reaction products occurring in interconnections or thin-film structures during processing, testing, and in longterm use of electronic devices. This is especially important when manufacturing advanced lead-free electronics where solder joint volumes are decreasing while the number of dissimilar reactive materials is increasing markedly. Therefore, a new concept of local nominal composition was introduced and applied together with the relevant ternary and multicomponent phase diagrams to some solder/conductor systems.

Tomography of the ionospheric electron density with geostatistical inversion

Directory of Open Access Journals (Sweden)

D. Minkwitz

2015-08-01

Full Text Available In relation to satellite applications like global navigation satellite systems (GNSS and remote sensing, the electron density distribution of the ionosphere has significant influence on trans-ionospheric radio signal propagation. In this paper, we develop a novel ionospheric tomography approach providing the estimation of the electron density's spatial covariance and based on a best linear unbiased estimator of the 3-D electron density. Therefore a non-stationary and anisotropic covariance model is set up and its parameters are determined within a maximum-likelihood approach incorporating GNSS total electron content measurements and the NeQuick model as background. As a first assessment this 3-D simple kriging approach is applied to a part of Europe. We illustrate the estimated covariance model revealing the different correlation lengths in latitude and longitude direction and its non-stationarity. Furthermore, we show promising improvements of the reconstructed electron densities compared to the background model through the validation of the ionosondes Rome, Italy (RO041, and Dourbes, Belgium (DB049, with electron density profiles for 1 day.

Fabrication Approaches to Interconnect Based Devices for Stretchable Electronics: A Review.

Science.gov (United States)

Nagels, Steven; Deferme, Wim

2018-03-03

Stretchable electronics promise to naturalize the way that we are surrounded by and interact with our devices. Sensors that can stretch and bend furthermore have become increasingly relevant as the technology behind them matures rapidly from lab-based workflows to industrially applicable production principles. Regardless of the specific materials used, creating stretchable conductors involves either the implementation of strain reliefs through insightful geometric patterning, the dispersion of stiff conductive filler in an elastomeric matrix, or the employment of intrinsically stretchable conductive materials. These basic principles however have spawned a myriad of materials systems wherein future application engineers need to find their way. This paper reports a literature study on the spectrum of different approaches towards stretchable electronics, discusses standardization of characteristic tests together with their reports and estimates matureness for industry. Patterned copper foils that are embedded in elastomeric sheets, which are closest to conventional electronic circuits processing, make up one end of the spectrum. Furthest from industry are the more recent circuits based on intrinsically stretchable liquid metals. These show extremely promising results, however, as a technology, liquid metal is not mature enough to be adapted. Printing makes up the transition between both ends, and is also well established on an industrial level, but traditionally not linked to creating electronics. Even though a certain level of maturity was found amongst the approaches that are reviewed herein, industrial adaptation for consumer electronics remains unpredictable without a designated break-through commercial application.

Fabrication Approaches to Interconnect Based Devices for Stretchable Electronics: A Review

Directory of Open Access Journals (Sweden)

Steven Nagels

2018-03-01

Full Text Available Stretchable electronics promise to naturalize the way that we are surrounded by and interact with our devices. Sensors that can stretch and bend furthermore have become increasingly relevant as the technology behind them matures rapidly from lab-based workflows to industrially applicable production principles. Regardless of the specific materials used, creating stretchable conductors involves either the implementation of strain reliefs through insightful geometric patterning, the dispersion of stiff conductive filler in an elastomeric matrix, or the employment of intrinsically stretchable conductive materials. These basic principles however have spawned a myriad of materials systems wherein future application engineers need to find their way. This paper reports a literature study on the spectrum of different approaches towards stretchable electronics, discusses standardization of characteristic tests together with their reports and estimates matureness for industry. Patterned copper foils that are embedded in elastomeric sheets, which are closest to conventional electronic circuits processing, make up one end of the spectrum. Furthest from industry are the more recent circuits based on intrinsically stretchable liquid metals. These show extremely promising results, however, as a technology, liquid metal is not mature enough to be adapted. Printing makes up the transition between both ends, and is also well established on an industrial level, but traditionally not linked to creating electronics. Even though a certain level of maturity was found amongst the approaches that are reviewed herein, industrial adaptation for consumer electronics remains unpredictable without a designated break-through commercial application.

Model-driven approach to data collection and reporting for quality improvement.

Science.gov (United States)

Curcin, Vasa; Woodcock, Thomas; Poots, Alan J; Majeed, Azeem; Bell, Derek

2014-12-01

Continuous data collection and analysis have been shown essential to achieving improvement in healthcare. However, the data required for local improvement initiatives are often not readily available from hospital Electronic Health Record (EHR) systems or not routinely collected. Furthermore, improvement teams are often restricted in time and funding thus requiring inexpensive and rapid tools to support their work. Hence, the informatics challenge in healthcare local improvement initiatives consists of providing a mechanism for rapid modelling of the local domain by non-informatics experts, including performance metric definitions, and grounded in established improvement techniques. We investigate the feasibility of a model-driven software approach to address this challenge, whereby an improvement model designed by a team is used to automatically generate required electronic data collection instruments and reporting tools. To that goal, we have designed a generic Improvement Data Model (IDM) to capture the data items and quality measures relevant to the project, and constructed Web Improvement Support in Healthcare (WISH), a prototype tool that takes user-generated IDM models and creates a data schema, data collection web interfaces, and a set of live reports, based on Statistical Process Control (SPC) for use by improvement teams. The software has been successfully used in over 50 improvement projects, with more than 700 users. We present in detail the experiences of one of those initiatives, Chronic Obstructive Pulmonary Disease project in Northwest London hospitals. The specific challenges of improvement in healthcare are analysed and the benefits and limitations of the approach are discussed. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Molecular modeling and multiscaling issues for electronic material applications

CERN Document Server

Iwamoto, Nancy; Yuen, Matthew; Fan, Haibo

Volume 1 : Molecular Modeling and Multiscaling Issues for Electronic Material Applications provides a snapshot on the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand material performance to solve relevant issues in this field. This book is intended to introduce the reader to the evolving role of molecular modeling, especially seen through the eyes of the IEEE community involved in material modeling for electronic applications.  Part I presents  the role that quantum mechanics can play in performance prediction, such as properties dependent upon electronic structure, but also shows examples how molecular models may be used in performance diagnostics, especially when chemistry is part of the performance issue.  Part II gives examples of large-scale atomistic methods in material failure and shows several examples of transitioning between grain boundary simulations (on the atomistic level)and large-scale models including an example ...

A quasilinear kinetic model for solar wind electrons and protons instabilities

Science.gov (United States)

Sarfraz, M.; Yoon, P. H.

2017-12-01

down the protons away from marginal stability states. As we are dealing both, protons and electrons for radially expanding solar wind plasma, our present approach may eventually be incorporated in global-kinetic models of the solar wind species.

A model of the extended electron and its nonlocal electromagnetic interaction: Gauge invariance of the nonlocal theory

International Nuclear Information System (INIS)

Namsrai, Kh.; Nyamtseren, N.

1994-09-01

A model of the extended electron is constructed by using definition of the d-operation. Gauge invariance of the nonlocal theory is proved. We use the Efimov approach to describe the nonlocal interaction of quantized fields. (author). 4 refs

Effect of self-interstitial diffusion anisotropy in electron-irradiated zirconium: A cluster dynamics modeling

International Nuclear Information System (INIS)

Christien, F.; Barbu, A.

2005-01-01

A model based on the cluster dynamics approach was proposed in [A. Hardouin Duparc, C. Moingeon, N. Smetniansky-de-Grande, A. Barbu, J. Nucl. Mater. 302 (2002) 143] to describe point defect agglomeration in metals under irradiation. This model is restricted to materials where point defect diffusion is isotropic and is thus not applicable to anisotropic metals such as zirconium. Following the approach proposed by Woo [C.H. Woo, J. Nucl. Mater. 159 (1988) 237], we extended in this work the model to the case where self-interstitial atoms (SIA) diffusion is anisotropic. The model was then applied to the loop microstructure evolution of a zirconium thin foil irradiated with electrons in a high-voltage microscope. First, the inputs were validated by comparing the numerical results with Hellio et al. experimental results [C. Hellio, C.H. de Novion, L. Boulanger, J. Nucl. Mater. 159 (1988) 368]. Further calculations were made to evidence the effect of the thin foil orientation on the dislocation loop microstructure under irradiation. The result is that it is possible to reproduce for certain orientations the 'unexpected' vacancy loop growth experimentally observed in electron-irradiated zirconium [M. Griffiths, M.H. Loretto, R.E. Sallmann, J. Nucl. Mater. 115 (1983) 313; J. Nucl. Mater. 115 (1983) 323; Philos. Mag. A 49 (1984) 613]. This effect is directly linked to SIA diffusion anisotropy

Combined convective and diffusive modeling of the ring current and radiation belt electron dynamics using the VERB-4D code

Science.gov (United States)

Aseev, N.; Shprits, Y.; Drozdov, A.; Kellerman, A. C.; Wang, D.

2017-12-01

Ring current and radiation belts are key elements in the global dynamics of the Earth's magnetosphere. Comprehensive mathematical models are useful tools that allow us to understand the multiscale dynamics of these charged particle populations. In this work, we present results of simulations of combined ring current - radiation belt electron dynamics using the four-dimensional Versatile Electron Radiation Belt (VERB-4D) code. The VERB-4D code solves the modified Fokker-Planck equation including convective terms and models simultaneously ring current (1 - 100 keV) and radiation belt (100 keV - several MeV) electron dynamics. We apply the code to the number of geomagnetic storms that occurred in the past, compare the results with different satellite observations, and show how low-energy particles can affect the high-energy populations. Particularly, we use data from Polar Operational Environmental Satellite (POES) mission that provides a very good MLT coverage with 1.5-hour time resolution. The POES data allow us to validate the approach of the VERB-4D code for modeling MLT-dependent processes such as electron drift, wave-particle interactions, and magnetopause shadowing. We also show how different simulation parameters and empirical models can affect the results, making a particular emphasis on the electric and magnetic field models. This work will help us reveal advantages and disadvantages of the approach behind the code and determine its prediction efficiency.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Science.gov (United States)

Turi, László

2016-04-01

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

On the applicability of one- and many-electron quantum chemistry models for hydrated electron clusters

Energy Technology Data Exchange (ETDEWEB)

Turi, László, E-mail: turi@chem.elte.hu [Department of Physical Chemistry, Eötvös Loránd University, P.O. Box 32, H-1518 Budapest 112 (Hungary)

2016-04-21

We evaluate the applicability of a hierarchy of quantum models in characterizing the binding energy of excess electrons to water clusters. In particular, we calculate the vertical detachment energy of an excess electron from water cluster anions with methods that include one-electron pseudopotential calculations, density functional theory (DFT) based calculations, and ab initio quantum chemistry using MP2 and eom-EA-CCSD levels of theory. The examined clusters range from the smallest cluster size (n = 2) up to nearly nanosize clusters with n = 1000 molecules. The examined cluster configurations are extracted from mixed quantum-classical molecular dynamics trajectories of cluster anions with n = 1000 water molecules using two different one-electron pseudopotenial models. We find that while MP2 calculations with large diffuse basis set provide a reasonable description for the hydrated electron system, DFT methods should be used with precaution and only after careful benchmarking. Strictly tested one-electron psudopotentials can still be considered as reasonable alternatives to DFT methods, especially in large systems. The results of quantum chemistry calculations performed on configurations, that represent possible excess electron binding motifs in the clusters, appear to be consistent with the results using a cavity structure preferring one-electron pseudopotential for the hydrated electron, while they are in sharp disagreement with the structural predictions of a non-cavity model.

Electronic resource management systems a workflow approach

CERN Document Server

Anderson, Elsa K

2014-01-01

To get to the bottom of a successful approach to Electronic Resource Management (ERM), Anderson interviewed staff at 11 institutions about their ERM implementations. Among her conclusions, presented in this issue of Library Technology Reports, is that grasping the intricacies of your workflow-analyzing each step to reveal the gaps and problems-at the beginning is crucial to selecting and implementing an ERM. Whether the system will be used to fill a gap, aggregate critical data, or replace a tedious manual process, the best solution for your library depends on factors such as your current soft

Electronic Health Record-Enabled Big-Data Approaches to Nephrotoxin-Associated Acute Kidney Injury Risk Prediction.

Science.gov (United States)

Sutherland, Scott M

2018-06-09

Nephrotoxin-associated acute kidney injury (NTx-AKI) has become one of the most common causes of AKI among hospitalized adults and children; across acute and intensive care populations, exposure to nephrotoxins accounts for 15-25% of AKI. Although some interventions have shown promise in observational studies, no treatments currently exist for NTx-AKI once it occurs. Thus, nearly all effective strategies are aimed at prevention. The primary obstacle to prevention is risk prediction and the determination of which patients are more likely to develop NTx-AKI when exposed to medications with nephrotoxic potential. Historically, traditional statistical modeling has been applied to previously recognized clinical risk factors to identify predictors of NTx-AKI. However, increased electronic health record adoption and the evolution of "big-data" approaches to predictive analytics may offer a unique opportunity to prevent NTx-AKI events. This article describes prior and current approaches to NTx-AKI prediction and offers three novel use cases for electronic health record-enabled NTx-AKI forecasting and risk profiling. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

A Graphical, Self-Organizing Approach to Classifying Electronic Meeting Output.

Science.gov (United States)

Orwig, Richard E.; Chen, Hsinchun; Nunamaker, Jay F., Jr.

1997-01-01

Describes research using an artificial intelligence approach in the application of a Kohonen Self-Organizing Map (SOM) to the problem of classification of electronic brainstorming output and an evaluation of the results. The graphical representation of textual data produced by the Kohonen SOM suggests many opportunities for improving information…

Zeroth order regular approximation approach to electric dipole moment interactions of the electron

Science.gov (United States)

Gaul, Konstantin; Berger, Robert

2017-07-01

A quasi-relativistic two-component approach for an efficient calculation of P ,T -odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex generalized Hartree-Fock and a complex generalized Kohn-Sham scheme within the zeroth order regular approximation. In applications to select heavy-elemental polar diatomic molecular radicals, which are promising candidates for an eEDM experiment, the method is compared to relativistic four-component electron-correlation calculations and confirms values for the effective electric field acting on the unpaired electron for RaF, BaF, YbF, and HgF. The calculations show that purely relativistic effects, involving only the lower component of the Dirac bi-spinor, are well described by treating only the upper component explicitly.

Status of Galileo interim radiation electron model

Science.gov (United States)

Garrett, H. B.; Jun, I.; Ratliff, J. M.; Evans, R. W.; Clough, G. A.; McEntire, R. W.

2003-01-01

Measurements of the high energy, omni-directional electron environment by the Galileo spacecraft Energetic Particle Detector (EDP) were used to develop a new model of Jupiter's trapped electron radiation in the jovian equatorial plane for the range 8 to 16 Jupiter radii.

Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

Science.gov (United States)

Guido, Ciro A; Jacquemin, Denis; Adamo, Carlo; Mennucci, Benedetta

2015-12-08

We critically analyze the performances of continuum solvation models when coupled to time-dependent density functional theory (TD-DFT) to predict solvent effects on both absorption and emission energies of chromophores in solution. Different polarization schemes of the polarizable continuum model (PCM), such as linear response (LR) and three different state specific (SS) approaches, are considered and compared. We show the necessity of introducing a SS model in cases where large electron density rearrangements are involved in the excitations, such as charge-transfer transitions in both twisted and quadrupolar compounds, and underline the very delicate interplay between the selected polarization method and the chosen exchange-correlation functional. This interplay originates in the different descriptions of the transition and ground/excited state multipolar moments by the different functionals. As a result, the choice of both the DFT functional and the solvent polarization scheme has to be consistent with the nature of the studied electronic excitation.

Modeling electron beam parameters and plasma interface position in an anode plasma electron gun with hydrogen atmosphere

Science.gov (United States)

Krauze, A.; Virbulis, J.; Kravtsov, A.

2018-05-01

A beam glow discharge based electron gun can be applied as heater for silicon crystal growth systems in which silicon rods are pulled from melt. Impacts of high-energy charged particles cause wear and tear of the gun and generate an additional source of silicon contamination. A steady-state model for electron beam formation has been developed to model the electron gun and optimize its design. Description of the model and first simulation results are presented. It has been shown that the model can simulate dimensions of particle impact areas on the cathode and anode, but further improvements of the model are needed to correctly simulate electron trajectory distribution in the beam and the beam current dependence on the applied gas pressure.

Quality assessment of Isfahan Medical Faculty web site electronic services and prioritizing solutions using analytic hierarchy process approach.

Science.gov (United States)

Hajrahimi, Nafiseh; Dehaghani, Sayed Mehdi Hejazi; Hajrahimi, Nargess; Sarmadi, Sima

2014-01-01

Implementing information technology in the best possible way can bring many advantages such as applying electronic services and facilitating tasks. Therefore, assessment of service providing systems is a way to improve the quality and elevate these systems including e-commerce, e-government, e-banking, and e-learning. This study was aimed to evaluate the electronic services in the website of Isfahan University of Medical Sciences in order to propose solutions to improve them. Furthermore, we aim to rank the solutions based on the factors that enhance the quality of electronic services by using analytic hierarchy process (AHP) method. Non-parametric test was used to assess the quality of electronic services. The assessment of propositions was based on Aqual model and they were prioritized using AHP approach. The AHP approach was used because it directly applies experts' deductions in the model, and lead to more objective results in the analysis and prioritizing the risks. After evaluating the quality of the electronic services, a multi-criteria decision making frame-work was used to prioritize the proposed solutions. Non-parametric tests and AHP approach using Expert Choice software. The results showed that students were satisfied in most of the indicators. Only a few indicators received low satisfaction from students including, design attractiveness, the amount of explanation and details of information, honesty and responsiveness of authorities, and the role of e-services in the user's relationship with university. After interviewing with Information and Communications Technology (ICT) experts at the university, measurement criteria, and solutions to improve the quality were collected. The best solutions were selected by EC software. According to the results, the solution "controlling and improving the process in handling users complaints" is of the utmost importance and authorities have to have it on the website and place great importance on updating this process

Modeling the Nab Experiment Electronics in SPICE

Science.gov (United States)

Blose, Alexander; Crawford, Christopher; Sprow, Aaron; Nab Collaboration

2017-09-01

The goal of the Nab experiment is to measure the neutron decay coefficients a, the electron-neutrino correlation, as well as b, the Fierz interference term to precisely test the Standard Model, as well as probe for Beyond the Standard Model physics. In this experiment, protons from the beta decay of the neutron are guided through a magnetic field into a Silicon detector. Event reconstruction will be achieved via time-of-flight measurement for the proton and direct measurement of the coincident electron energy in highly segmented silicon detectors, so the amplification circuitry needs to preserve fast timing, provide good amplitude resolution, and be packaged in a high-density format. We have designed a SPICE simulation to model the full electronics chain for the Nab experiment in order to understand the contributions of each stage and optimize them for performance. Additionally, analytic solutions to each of the components have been determined where available. We will present a comparison of the output from the SPICE model, analytic solution, and empirically determined data.

A Landau fluid model for dissipative trapped electron modes

International Nuclear Information System (INIS)

Hedrick, C.L.; Leboeuf, J.N.; Sidikman, K.L.

1995-09-01

A Landau fluid model for dissipative trapped electron modes is developed which focuses on an improved description of the ion dynamics. The model is simple enough to allow nonlinear calculations with many harmonics for the times necessary to reach saturation. The model is motivated by a discussion that starts with the gyro-kinetic equation and emphasizes the importance of simultaneously including particular features of magnetic drift resonance, shear, and Landau effects. To ensure that these features are simultaneously incorporated in a Landau fluid model with only two evolution equations, a new approach to determining the closure coefficients is employed. The effect of this technique is to reduce the matching of fluid and kinetic responses to a single variable, rather than two, and to allow focusing on essential features of the fluctuations in question, rather than features that are only important for other types of fluctuations. Radially resolved nonlinear calculations of this model, advanced in time to reach saturation, are presented to partially illustrate its intended use. These calculations have a large number of poloidal and toroidal harmonics to represent the nonlinear dynamics in a converged steady state which includes cascading of energy to both short and long wavelengths

Simulation model for electron irradiated IGZO thin film transistors

Science.gov (United States)

Dayananda, G. K.; Shantharama Rai, C.; Jayarama, A.; Kim, Hyun Jae

2018-02-01

An efficient drain current simulation model for the electron irradiation effect on the electrical parameters of amorphous In-Ga-Zn-O (IGZO) thin-film transistors is developed. The model is developed based on the specifications such as gate capacitance, channel length, channel width, flat band voltage etc. Electrical parameters of un-irradiated IGZO samples were simulated and compared with the experimental parameters and 1 kGy electron irradiated parameters. The effect of electron irradiation on the IGZO sample was analysed by developing a mathematical model.

Electronic excitation of atoms and molecules by electron impact in a linear algebraic, separable potential approach

International Nuclear Information System (INIS)

Collins, L.A.; Schneider, B.I.

1984-01-01

The linear algebraic, separable potential approach is applied to the electronic excitation of atoms and molecules by electron impact. By representing the exchange and off-diagonal direct terms on a basis, the standard set of coupled inelastic equations is reduced to a set of elastic inhomogeneous equations. The procedure greatly simplifies the formulation by allowing a large portion of the problem to be handled by standard bound-state techniques and by greatly reducing the order of the scattering equations that must be solved. Application is made to the excitation of atomic hydrogen in the three-state close-coupling (1s, 2s, 2p) approximation. (author)

A model-driven approach for representing clinical archetypes for Semantic Web environments.

Science.gov (United States)

Martínez-Costa, Catalina; Menárguez-Tortosa, Marcos; Fernández-Breis, Jesualdo Tomás; Maldonado, José Alberto

2009-02-01

The life-long clinical information of any person supported by electronic means configures his Electronic Health Record (EHR). This information is usually distributed among several independent and heterogeneous systems that may be syntactically or semantically incompatible. There are currently different standards for representing and exchanging EHR information among different systems. In advanced EHR approaches, clinical information is represented by means of archetypes. Most of these approaches use the Archetype Definition Language (ADL) to specify archetypes. However, ADL has some drawbacks when attempting to perform semantic activities in Semantic Web environments. In this work, Semantic Web technologies are used to specify clinical archetypes for advanced EHR architectures. The advantages of using the Ontology Web Language (OWL) instead of ADL are described and discussed in this work. Moreover, a solution combining Semantic Web and Model-driven Engineering technologies is proposed to transform ADL into OWL for the CEN EN13606 EHR architecture.

A novel system architecture for the national integration of electronic health records: a semi-centralized approach.

Science.gov (United States)

AlJarullah, Asma; El-Masri, Samir

2013-08-01

The goal of a national electronic health records integration system is to aggregate electronic health records concerning a particular patient at different healthcare providers' systems to provide a complete medical history of the patient. It holds the promise to address the two most crucial challenges to the healthcare systems: improving healthcare quality and controlling costs. Typical approaches for the national integration of electronic health records are a centralized architecture and a distributed architecture. This paper proposes a new approach for the national integration of electronic health records, the semi-centralized approach, an intermediate solution between the centralized architecture and the distributed architecture that has the benefits of both approaches. The semi-centralized approach is provided with a clearly defined architecture. The main data elements needed by the system are defined and the main system modules that are necessary to achieve an effective and efficient functionality of the system are designed. Best practices and essential requirements are central to the evolution of the proposed architecture. The proposed architecture will provide the basis for designing the simplest and the most effective systems to integrate electronic health records on a nation-wide basis that maintain integrity and consistency across locations, time and systems, and that meet the challenges of interoperability, security, privacy, maintainability, mobility, availability, scalability, and load balancing.

Modeling of Jupiter's electron an ion radiation belts

International Nuclear Information System (INIS)

Sicard, Angelica

2004-01-01

In the Fifties, James Van Allen showed the existence of regions of the terrestrial magnetosphere consisted of energetic particles, trapped by the magnetic field: the radiation belts. The radiation belts of the Earth were the subject of many modeling works and are studied since several years at the Departement Environnement Spatial (DESP) of ONERA. In 1998, the DESP decided to adapt the radiation belts model of the Earth, Salammbo, to radiation environment of Jupiter. A first thesis was thus carried out on the subject and a first radiation belts model of electrons of Jupiter was developed [Santos-Costa, 2001]. The aim of this second thesis is to develop a radiation belts model for protons and heavy ions. In order to validate the developed model, the comparisons between Salammbo results and observations are essential. However, the validation is difficult in the case of protons and heavy ions because in-situ measurements of the probes are very few and most of the time contaminated by very energetic electrons. To solve this problem, a very good model of electrons radiation belts is essential to confirm or cancel the contamination of protons and heavy ions measurements. Thus, in parallel to the development of the protons and heavy ions radiation belts model, the electrons models, already existing, has been improved. Then Salammbo results have been compared to the different observations available (in-situ measurements, radio-astronomical observations). The different comparisons show a very good agreement between Salammbo results and observations. (author) [fr

Electronic field emission models beyond the Fowler-Nordheim one

Science.gov (United States)

Lepetit, Bruno

2017-12-01

We propose several quantum mechanical models to describe electronic field emission from first principles. These models allow us to correlate quantitatively the electronic emission current with the electrode surface details at the atomic scale. They all rely on electronic potential energy surfaces obtained from three dimensional density functional theory calculations. They differ by the various quantum mechanical methods (exact or perturbative, time dependent or time independent), which are used to describe tunneling through the electronic potential energy barrier. Comparison of these models between them and with the standard Fowler-Nordheim one in the context of one dimensional tunneling allows us to assess the impact on the accuracy of the computed current of the approximations made in each model. Among these methods, the time dependent perturbative one provides a well-balanced trade-off between accuracy and computational cost.

Density-dependent electron transport and precise modeling of GaN high electron mobility transistors

Energy Technology Data Exchange (ETDEWEB)

Bajaj, Sanyam, E-mail: bajaj.10@osu.edu; Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Reza, Shahed; Chumbes, Eduardo M. [Raytheon Integrated Defense Systems, Andover, Massachusetts 01810 (United States); Khurgin, Jacob [Department of Electrical and Computer Engineering, Johns Hopkins University, Baltimore, Maryland 21218 (United States); Rajan, Siddharth [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Department of Material Science and Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

2015-10-12

We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors (HEMTs). Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 × 10{sup 7 }cm/s at a low sheet charge density of 7.8 × 10{sup 11 }cm{sup −2}. An optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated longitudinal optical (LO) phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs.

Density-dependent electron transport and precise modeling of GaN high electron mobility transistors

International Nuclear Information System (INIS)

Bajaj, Sanyam; Shoron, Omor F.; Park, Pil Sung; Krishnamoorthy, Sriram; Akyol, Fatih; Hung, Ting-Hsiang; Reza, Shahed; Chumbes, Eduardo M.; Khurgin, Jacob; Rajan, Siddharth

2015-01-01

We report on the direct measurement of two-dimensional sheet charge density dependence of electron transport in AlGaN/GaN high electron mobility transistors (HEMTs). Pulsed IV measurements established increasing electron velocities with decreasing sheet charge densities, resulting in saturation velocity of 1.9 × 10 7  cm/s at a low sheet charge density of 7.8 × 10 11  cm −2 . An optical phonon emission-based electron velocity model for GaN is also presented. It accommodates stimulated longitudinal optical (LO) phonon emission which clamps the electron velocity with strong electron-phonon interaction and long LO phonon lifetime in GaN. A comparison with the measured density-dependent saturation velocity shows that it captures the dependence rather well. Finally, the experimental result is applied in TCAD-based device simulator to predict DC and small signal characteristics of a reported GaN HEMT. Good agreement between the simulated and reported experimental results validated the measurement presented in this report and established accurate modeling of GaN HEMTs

An Electronic Publishing Model for Academic Publishers.

Science.gov (United States)

Gold, Jon D.

1994-01-01

Describes an electronic publishing model based on Standard Generalized Markup Language (SGML) and considers its use by an academic publisher. Highlights include how SGML is used to produce an electronic book, hypertext, methods of delivery, intellectual property rights, and future possibilities. Sample documents are included. (two references) (LRW)

Developing a model for application of electronic banking based on electronic trust

Directory of Open Access Journals (Sweden)

Amir Hooshang Nazarpoori

2014-05-01

Full Text Available This study develops a model for application of electronic banking based on electronic trust among costumers of Day bank in KhoramAbad city. A sample of 150 people was selected based on stratified random sampling. Questionnaires were used for the investigation. Results indicate that technology-based factors, user-based factors, and trust had negative relationships with perceived risk types including financial, functional, personal, and private. Moreover, trust including trust in system and trust in bank had a positive relationship with tendency to use and real application of electronic banking.

Surface-electronic-state effects in electron emission from the Be(0001) surface

International Nuclear Information System (INIS)

Archubi, C. D.; Gravielle, M. S.; Silkin, V. M.

2011-01-01

We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

Surface-electronic-state effects in electron emission from the Be(0001) surface

Energy Technology Data Exchange (ETDEWEB)

Archubi, C. D. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Gravielle, M. S. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Silkin, V. M. [Donostia International Physics Center, E-20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Quimicas, Universidad del Pais Vasco, Apartado 1072, E-20080 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao (Spain)

2011-07-15

We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

Comparison of the measured and modelled electron densities and temperatures in the ionosphere and plasmasphere during 20-30 January, 1993

Directory of Open Access Journals (Sweden)

A. V. Pavlov

2000-10-01

Full Text Available We present a comparison of the electron density and temperature behaviour in the ionosphere and plasmasphere measured by the Millstone Hill incoherent-scatter radar and the instruments on board of the EXOS-D satellite with numerical model calculations from a time-dependent mathematical model of the Earth's ionosphere and plasmasphere during the geomagnetically quiet and storm period on 20–30 January, 1993. We have evaluated the value of the additional heating rate that should be added to the normal photoelectron heating in the electron energy equation in the daytime plasmasphere region above 5000 km along the magnetic field line to explain the high electron temperature measured by the instruments on board of the EXOS-D satellite within the Millstone Hill magnetic field flux tube in the Northern Hemisphere. The additional heating brings the measured and modelled electron temperatures into agreement in the plasmasphere and into very large disagreement in the ionosphere if the classical electron heat flux along magnetic field line is used in the model. A new approach, based on a new effective electron thermal conductivity coefficient along the magnetic field line, is presented to model the electron temperature in the ionosphere and plasmasphere. This new approach leads to a heat flux which is less than that given by the classical Spitzer-Harm theory. The evaluated additional heating of electrons in the plasmasphere and the decrease of the thermal conductivity in the topside ionosphere and the greater part of the plasmasphere found for the first time here allow the model to accurately reproduce the electron temperatures observed by the instruments on board the EXOS-D satellite in the plasmasphere and the Millstone Hill incoherent-scatter radar in the ionosphere. The effects of the daytime additional plasmaspheric heating of electrons on the electron temperature and density are small at the F-region altitudes if the modified electron heat flux is

Tetramer model of leukoemeraldine-emeraldine electrochemistry in the presence of trihalogenoacetic acids. DFT approach.

Science.gov (United States)

Barbosa, Nuno Almeida; Grzeszczuk, Maria; Wieczorek, Robert

2015-01-15

First results of the application of the DFT computational approach to the reversible electrochemistry of polyaniline are presented. A tetrameric chain was used as the simplest model of the polyaniline polymer species. The system under theoretical investigation involved six tetramer species, two electrons, and two protons, taking part in 14 elementary reactions. Moreover, the tetramer species were interacting with two trihalogenoacetic acid molecules. Trifluoroacetic, trichloroacetic, and tribromoacetic acids were found to impact the redox transformation of polyaniline as shown by cyclic voltammetry. The theoretical approach was considered as a powerful tool for investigating the main factors of importance for the experimental behavior. The DFT method provided molecular structures, interaction energies, and equilibrium energies of all of the tetramer-acid complexes. Differences between the energies of the isolated tetramer species and their complexes with acids are discussed in terms of the elementary reactions, that is, ionization potentials and electron affinities, equilibrium constants, electrode potentials, and reorganization energies. The DFT results indicate a high impact of the acid on the reorganization energy of a particular elementary electron-transfer reaction. The ECEC oxidation path was predicted by the calculations. The model of the reacting system must be extended to octamer species and/or dimeric oligomer species to better approximate the real polymer situation.

Status of the Galileo interim radiation electron model

Science.gov (United States)

Garrett, H. B.; Jun, I.; Ratliff, J. M.; Evans, R. W.; Clough, G. A.; McEntire, R. W.

2003-04-01

Measurements of the high energy, omni-directional electron environment by the Galileo spacecraft Energetic Particle Detector (EPD) were used to develop a new model of Jupiter's trapped electron radiation in the jovian equatorial plane for the range 8 to 16 Jupiter radii (1 jovian radius = 71,400 km). 10-minute averages of these data formed an extensive database of observations of the jovian radiation belts between Jupiter orbit insertion (JOI) in 1995 and 2002. These data were then averaged to provide a differential flux spectrum at 0.174, 0.304, 0.527, 1.5, 2.0, 11.0, and 31 MeV in the jovian equatorial plane as a function of radial distance. This omni-directional, equatorial model was combined with the original Divine model of jovian electron radiation to yield estimates of the out-of-plane radiation environment. That model, referred to here as the Galileo Interim Radiation Electron (or GIRE) model, was then used to calculate the Europa mission dose for an average and a 1-sigma worst-case situation. The prediction of the GIRE model is about a factor of 2 lower than the Divine model estimate over the range of 100 to 1000 mils (2.54 to 25.4 mm) of aluminum shielding, but exceeds the Divine model by about 50% for thicker shielding. The model, the steps leading to its creation, and relevant issues and concerns are discussed. While work remains to be done, the GIRE model clearly represents a significant step forward in the study of the jovian radiation environment, and it is a useful and valuable tool for estimating that environment for future space missions.

Strain mapping of LED devices by dark-field inline electron holography: Comparison between deterministic and iterative phase retrieval approaches

Energy Technology Data Exchange (ETDEWEB)

Song, Kyung; Shin, Ga-Young; Kim, Jong Kyu [Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), San 31 Hyoja-dong, Nam-gu, Pohang 790-784 (Korea, Republic of); Oh, Sang Ho, E-mail: shoh@postech.ac.kr [Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), San 31 Hyoja-dong, Nam-gu, Pohang 790-784 (Korea, Republic of); Koch, Christoph T. [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany)

2013-04-15

Dark-field inline electron holography has recently been established as a convenient method to map strain in semiconductor devices, combining high precision, low noise, sub-nm spatial resolution and fields-of-view larger than 1 μm. Here we compare two approaches to reconstruct the geometric phase from a transmission electron microscopy dark-field focal series and their effects on the strain measurement: the transport-of-intensity-equation (TIE) and a flux-preserving iterative approach. For this task, we used a GaN-based light emitting diode with a highly complex heterostructure as a model system. While the TIE relies on 3 images only but requires the optimization of two free parameters (defocus step and low-limit cut-off frequency), the iterative reconstruction algorithm involves no adjustable parameters and uses images recorded at 9 different planes of focus with quadratically increasing defocus values. Optimum parameters for the TIE-reconstruction could be identified. However, the iterative phase retrieval approach yields the strain values that agree best with the expected strain levels and provides also higher spatial resolution.

New Statistical Multiparticle Approach to the Acceleration of Electrons by the Ion Field in Plasmas

Directory of Open Access Journals (Sweden)

Eugene Oks

2010-01-01

Full Text Available The phenomenon of the acceleration of the (perturbing electrons by the ion field (AEIF significantly reduces Stark widths and shifts in plasmas of relatively high densities and/or relatively low temperature. Our previous analytical calculations of the AEIF were based on the dynamical treatment: the starting point was the ion-microfield-caused changes of the trajectories and velocities of individual perturbing electrons. In the current paper, we employ a statistical approach: the starting point is the electron velocity distribution function modified by the ion microfield. The latter had been calculated by Romanovsky and Ebeling in the multiparticle description of the ion microfield. The result shows again the reduction of the electron Stark broadening. Thus two totally different analytical approaches (dynamical and statistical agree with each other and therefore disprove the corresponding recent fully-numerical simulations by Stambulchik et al. that claimed an increase of the electron Stark broadening.

Electronic structure of PPP@ZnO from all-electron quasiarticle calculations

Science.gov (United States)

Höffling, Benjamin; Nabok, Dimitri; Draxl, Claudia; Condensed Matter Theory Group, Humboldt University Berlin Team

We investigate the electronic properties of poly(para-phenylene) (PPP) adsorbed on the non-polar (001) surface of rocksalt (rs) ZnO using all-electron density functional theory (DFT) as well as quasiparticle (QP) calculations within the GW approach. A particular focus is put on the electronic band discontinuities at the interface, where we investigate the impact of quantum confinement, molecular polarization, and charge rearrangement. For our prototypical system, PPP@ZnO, we find a type-I heterostructure. Comparison of the band offsets derived from a QP-treatment of the hybrid system with predictions based on mesoscopic methods, like the Shockley-Anderson model or alignment via the electrostatic potential, reveals the inadequacy of these simple approaches for the prediction of the electronic structure of such inorganic/organic heterosystems. Finally, we explore the optical excitations of the interface compared to the features of the pristine components and discuss the methodological implications for the ab-initio treatment of interface electronics.

Development of a physical and electronic model for RuO 2 nanorod rectenna devices

Science.gov (United States)

Dao, Justin

Ruthenium oxide (RuO2) nanorods are an emergent technology in nanostructure devices. As the physical size of electronics approaches a critical lower limit, alternative solutions to further device miniaturization are currently under investigation. Thin-film nanorod growth is an interesting technology, being investigated for use in wireless communications, sensor systems, and alternative energy applications. In this investigation, self-assembled RuO2 nanorods are grown on a variety of substrates via a high density plasma, reactive sputtering process. Nanorods have been found to grow on substrates that form native oxide layers when exposed to air, namely silicon, aluminum, and titanium. Samples were analyzed with Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) techniques. Conductive Atomic Force Microscopy (C-AFM) measurements were performed on single nanorods to characterize structure and electrical conductivity. The C-AFM probe tip is placed on a single nanorod and I-V characteristics are measured, potentially exhibiting rectifying capabilities. An analysis of these results using fundamental semiconductor physics principles is presented. Experimental data for silicon substrates was most closely approximated by the Simmons model for direct electron tunneling, whereas that of aluminum substrates was well approximated by Fowler-Nordheim tunneling. The native oxide of titanium is regarded as a semiconductor rather than an insulator and its ability to function as a rectifier is not strong. An electronic model for these nanorods is described herein.

An ab initio model of electron transport in hematite (a-Fe2O3) basal planes

International Nuclear Information System (INIS)

Rosso, Kevin M.; Smith, Dayle MA; Dupuis, Michel

2003-01-01

Transport of conduction electrons through basal planes of the hematite lattice was modeled as a valence alternation of iron cations using ab initio molecular orbital calculations and electron transfer theory. A cluster approach was successfully implemented to compute electron transfer rate-controlling quantities such as the reorganization energy and electronic coupling matrix element. Localization of a conduction electron at an iron lattice site is accompanied by large iron/oxygen bond length increases that give rise to a large inner-sphere component of the reorganization energy. The interaction between the reactant and product electronic states in the crossing?point configuration is substantial and leads to an adiabatic electron transfer system. Electron transfer is predicted to possess a small positive activation energy that turns out to be in excellent agreement with values deduced from conductivity measurements. Measured electron mobility can be explained in terms of nearest neighbor electron hops without significant contribution from iron atoms further away. Comparison of the predicted maximum polaron binding energy with the predicted half bandwidth indicates compliance with the small polaron condition. Therefore the localized electron treatment is appropriate to describe electron transport in this system

Electronic structure of FeTiSb using relativistic and scalar-relativistic approaches

Energy Technology Data Exchange (ETDEWEB)

Sahariya, Jagrati [Department of Physics, Manipal University Jaipur, Jaipur-303007, Rajasthan (India); Mund, H. S., E-mail: hmoond@gmail.com [Department of Physics, M. L. Sukhadia University, Udaipur-313001, Rajasthan (India)

2016-05-06

Electronic and magnetic properties of FeTiSb have been reported. The calculations are performed using spin polarized relativistic Korringa-Kohn-Rostoker scheme based on Green’s function method. Within SPR-KKR a fully relativistic and scalar-relativistic approaches have been used to investigate electronic structure of FeTiSb. Energy bands, total and partial density of states, atom specific magnetic moment along with total moment of FeTiSb alloys are presented.

Modeling of a new electron-streamer acceleration mechanism

Science.gov (United States)

Ihaddadene, K. M. A.; Dwyer, J. R.; Liu, N.; Celestin, S. J.

2017-12-01

Lightning stepped leaders and laboratory spark discharges in air are known to produce X-rays [e.g., Dwyer et al., Geophys. Res. lett., 32, L20809, 2005; Kochkin et al., J. Phys. D: Appl. Phys., 45, 425202, 2012]. However, the processes behind the production of these X-rays are still not very well understood. During discharges, encounters between streamers of different polarities are very common. For example, during the formation of a new leader step, the negative streamer zone around the tip of a negative leader and the positive streamers initiated from the posiive part of a bidirectional space leader strongly interact. In laboratory experiments, when streamers are approaching a sharp electrode, streamers with the opposite polarity are initiated from the electrode and collide with the former streamers. Recently, the encounter between negative and positive streamers has been proposed as a plausible mechanism for the production of X-rays by spark discharges [Cooray et la., JASTP, 71, 1890, 2009; Kochkin et al., J. Phys. D: Appl. Phys., 45, 425202, 2012], but modeling results have shown later that the increase of the electric field involved in this process, which is above the conventional breakdown threshold field, is accompanied by a strong increase of the electron density. The resulting increase in the conductivity, in turn, causes this electric field to collapse over a few tens of picoseconds, preventing the electrons reaching high energies and producing significant X-ray emissions [e.g., Ihaddadene and Celestin, Geophys. Res. Lett., 45, 5644, 2015]. In this work, we will present simulation results of a new electron acceleration mechanism for producing runaway electron energies above hundred keV. The mechanism couples multiple single streamers and streamer head-on collisions, similar to a laboratory discharge, and is suitable for explaining the high-energy X-rays produced by discharges in air and by lightning stepped leaders.

Tree-level equivalence between a Lorentz-violating extension of QED and its dual model in electron-electron scattering

Energy Technology Data Exchange (ETDEWEB)

Toniolo, Giuliano R.; Fargnoli, H.G.; Brito, L.C.T. [Universidade Federal de Lavras, Departamento de Fisica, Caixa Postal 3037, Lavras, Minas Gerais (Brazil); Scarpelli, A.P.B. [Setor Tecnico-Cientifico, Departamento de Policia Federal, Sao Paulo (Brazil)

2017-02-15

S-matrix amplitudes for the electron-electron scattering are calculated in order to verify the physical equivalence between two Lorentz-breaking dual models. We begin with an extended Quantum Electrodynamics which incorporates CPT-even Lorentz-violating kinetic and mass terms. Then, in a process of gauge embedding, its gauge-invariant dual model is obtained. The physical equivalence of the two models is established at tree level in the electron-electron scattering and the unpolarized cross section is calculated up to second order in the Lorentz-violating parameter. (orig.)

Tree-level equivalence between a Lorentz-violating extension of QED and its dual model in electron-electron scattering

International Nuclear Information System (INIS)

Toniolo, Giuliano R.; Fargnoli, H.G.; Brito, L.C.T.; Scarpelli, A.P.B.

2017-01-01

S-matrix amplitudes for the electron-electron scattering are calculated in order to verify the physical equivalence between two Lorentz-breaking dual models. We begin with an extended Quantum Electrodynamics which incorporates CPT-even Lorentz-violating kinetic and mass terms. Then, in a process of gauge embedding, its gauge-invariant dual model is obtained. The physical equivalence of the two models is established at tree level in the electron-electron scattering and the unpolarized cross section is calculated up to second order in the Lorentz-violating parameter. (orig.)

Novel approaches to study low-energy electron-induced damage to DNA oligonucleotides

International Nuclear Information System (INIS)

Rackwitz, Jenny; Bald, Ilko; Ranković, Miloš Lj; Milosavljević, Aleksandar R

2015-01-01

The novel approach of DNA origami structures as templates for precise quantification of various well- defined oligonucleotides provides the opportunity to determine the sensitivity of complex DNA sequences towards low-energy electrons. (paper)

Heavy component of spent nuclear fuel: Efficiency of model-substance ionization by electron-induced discharge

Energy Technology Data Exchange (ETDEWEB)

Antonov, N. N., E-mail: antonovnickola@gmail.com; Gavrikov, A. V.; Samokhin, A. A.; Smirnov, V. P. [Russian Academy of Sciences, High Energy Density Research Center, Joint Institute for High Temperatures (Russian Federation)

2016-12-15

The method of plasma separation of spent nuclear fuel can be tested with a model substance which has to be transformed from the condensed to plasma state. For this purpose, electron-induced discharge in lead vapor injected into the interelectrode gap is simulated using the kinetic approach. The ionization efficiency, the electrostatic-potential distribution, and those of the ion and electron densities in the discharge gap are derived as functions of the discharge-current density and concentration of the vapor of the model substance. Given a discharge-current density of 3.5 A/cm{sup 2} and a lead-vapor concentration of 2 × 10{sup 12} cm{sup –3}, the simulated ionization efficiency proves to be nearly 60%. The discharge in lead vapor is also investigated experimentally.

A Practical Core Loss Model for Filter Inductors of Power Electronic Converters

DEFF Research Database (Denmark)

Matsumori, Hiroaki; Shimizu, Toshihisa; Wang, Xiongfei

2018-01-01

This paper proposes a core loss model for filter inductors of power electronic converters. The model allows a computationally efficient analysis on the core loss of the inductor under the square voltage excitation and the premagnetization condition. First, the core loss of the filter inductor under...... buck chopper excitation is evaluated with the proposed model and compared with the conventional methods. The comparison shows that the proposed method results in a better core loss prediction under the premagnetized condition than that of conventional alternatives. Then, the core loss of the filter...... inductor with the pulsewidth modulated inverter excitation is evaluated, which shows that the proposed model not only accurately predicts the core loss but also identifies the hysteresis loss part. These results demonstrate that the approach can further be used for the development of magnetic materials...

Photoemission in strongly correlated crystalline f-electron systems: A need for a new approach

International Nuclear Information System (INIS)

Arko, A.J.; Joyce, J.J.; Sarrao, J.

1998-01-01

The unusual properties of heavy fermion (or heavy electron) materials have sparked an avalanche of research over the last two decades in order to understand the basic phenomena responsible for these properties. Photoelectron spectroscopy (often referred to as PES in the following sections), the most direct measurement of the electronic structure of a material, should in principle be able to shed considerable light on this matter. In general the distinction between a localized and a band-like state is trivially observed in band dispersion. Much of the past work was performed on poly-crystalline samples, scraped in-situ to expose a clean surface for PES. There have since been considerable advances both in the quality of specimens as well as experimental resolution, which raise questions regarding these conclusions. Much of the past work on poly-crystalline samples has been reported in several review articles, most notably Allen et al., and it is not necessary here to review those efforts again, with the exception of subsequent work performed at high resolution. The primary focus of the present review will be on new measurements obtained on single crystals, cleaved or prepared in situ and measured at high resolution, which seem to suggest that agreement with the GS and NCA approximations is less than perfect, and that perhaps the starting models need to be modified, or that even an entirely new approach is called for. Of the promising new models the Periodic Anderson Model is most closely related to the SIM. Indeed, at high temperatures it reverts to the SIM. However, the charge polaron model of Liu (1997) as well as the two-electron band model of Sheng and Cooper (1995) cannot yet be ruled out. Inasmuch as the bulk of the single crystal work was performed by the Los Alamos group, this review will draw heavily on those results. Moreover, since the GS and NCA approximations represent the most comprehensive and widely accepted treatment of heavy fermion PES, it is only

Electron beam-plasma interaction and electron-acoustic solitary waves in a plasma with suprathermal electrons

Science.gov (United States)

Danehkar, A.

2018-06-01

Suprathermal electrons and inertial drifting electrons, so called electron beam, are crucial to the nonlinear dynamics of electrostatic solitary waves observed in several astrophysical plasmas. In this paper, the propagation of electron-acoustic solitary waves (EAWs) is investigated in a collisionless, unmagnetized plasma consisting of cool inertial background electrons, hot suprathermal electrons (modeled by a κ-type distribution), and stationary ions. The plasma is penetrated by a cool electron beam component. A linear dispersion relation is derived to describe small-amplitude wave structures that shows a weak dependence of the phase speed on the electron beam velocity and density. A (Sagdeev-type) pseudopotential approach is employed to obtain the existence domain of large-amplitude solitary waves, and investigate how their nonlinear structures depend on the kinematic and physical properties of the electron beam and the suprathermality (described by κ) of the hot electrons. The results indicate that the electron beam can largely alter the EAWs, but can only produce negative polarity solitary waves in this model. While the electron beam co-propagates with the solitary waves, the soliton existence domain (Mach number range) becomes narrower (nearly down to nil) with increasing the beam speed and the beam-to-hot electron temperature ratio, and decreasing the beam-to-cool electron density ratio in high suprathermality (low κ). It is found that the electric potential amplitude largely declines with increasing the beam speed and the beam-to-cool electron density ratio for co-propagating solitary waves, but is slightly decreased by raising the beam-to-hot electron temperature ratio.

[Electron transfer, ionization, and excitation in atomic collisions

International Nuclear Information System (INIS)

1992-01-01

Fundamental processes of electron transfer, ionization, and excitation in ion-atom and ion-ion collisions are studied. Attention is focussed on one- and two-electron systems and, more recently, quasi-one-electron systems whose electron-target-ion core can be accurately modeled by one-electron potentials. The basic computational approaches can then be taken with few, if any, approximations, and the underlying collisional mechanisms can be more clearly revealed. At intermediate collision energies (e.g., proton energies for p-He + collisions on the order of 100 kilo-electron volts), many electronic states are strongly coupled during the collision, a coupled-state approach, such as a coupled-Sturmian-pseudostate approach, is appropriate. At higher collision energies (million electron-volt energies) the coupling is weaker with, however, many more states being coupled together, so that high-order perturbation theory is essential

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

Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach

International Nuclear Information System (INIS)

Morini, Filippo; Deleuze, Michael S.; Watanabe, Noboru; Takahashi, Masahiko

2015-01-01

The influence of thermally induced nuclear dynamics (molecular vibrations) in the initial electronic ground state on the valence orbital momentum profiles of furan has been theoretically investigated using two different approaches. The first of these approaches employs the principles of Born-Oppenheimer molecular dynamics, whereas the so-called harmonic analytical quantum mechanical approach resorts to an analytical decomposition of contributions arising from quantized harmonic vibrational eigenstates. In spite of their intrinsic differences, the two approaches enable consistent insights into the electron momentum distributions inferred from new measurements employing electron momentum spectroscopy and an electron impact energy of 1.2 keV. Both approaches point out in particular an appreciable influence of a few specific molecular vibrations of A 1 symmetry on the 9a 1 momentum profile, which can be unravelled from considerations on the symmetry characteristics of orbitals and their energy spacing

Multi-scale modelling and numerical simulation of electronic kinetic transport

International Nuclear Information System (INIS)

Duclous, R.

2009-11-01

This research thesis which is at the interface between numerical analysis, plasma physics and applied mathematics, deals with the kinetic modelling and numerical simulations of the electron energy transport and deposition in laser-produced plasmas, having in view the processes of fuel assembly to temperature and density conditions necessary to ignite fusion reactions. After a brief review of the processes at play in the collisional kinetic theory of plasmas, with a focus on basic models and methods to implement, couple and validate them, the author focuses on the collective aspect related to the free-streaming electron transport equation in the non-relativistic limit as well as in the relativistic regime. He discusses the numerical development and analysis of the scheme for the Vlasov-Maxwell system, and the selection of a validation procedure and numerical tests. Then, he investigates more specific aspects of the collective transport: the multi-specie transport, submitted to phase-space discontinuities. Dealing with the multi-scale physics of electron transport with collision source terms, he validates the accuracy of a fast Monte Carlo multi-grid solver for the Fokker-Planck-Landau electron-electron collision operator. He reports realistic simulations for the kinetic electron transport in the frame of the shock ignition scheme, the development and validation of a reduced electron transport angular model. He finally explores the relative importance of the processes involving electron-electron collisions at high energy by means a multi-scale reduced model with relativistic Boltzmann terms

Quality assessment of Isfahan Medical Faculty web site electronic services and prioritizing solutions using analytic hierarchy process approach

Science.gov (United States)

Hajrahimi, Nafiseh; Dehaghani, Sayed Mehdi Hejazi; Hajrahimi, Nargess; Sarmadi, Sima

2014-01-01

Context: Implementing information technology in the best possible way can bring many advantages such as applying electronic services and facilitating tasks. Therefore, assessment of service providing systems is a way to improve the quality and elevate these systems including e-commerce, e-government, e-banking, and e-learning. Aims: This study was aimed to evaluate the electronic services in the website of Isfahan University of Medical Sciences in order to propose solutions to improve them. Furthermore, we aim to rank the solutions based on the factors that enhance the quality of electronic services by using analytic hierarchy process (AHP) method. Materials and Methods: Non-parametric test was used to assess the quality of electronic services. The assessment of propositions was based on Aqual model and they were prioritized using AHP approach. The AHP approach was used because it directly applies experts’ deductions in the model, and lead to more objective results in the analysis and prioritizing the risks. After evaluating the quality of the electronic services, a multi-criteria decision making frame-work was used to prioritize the proposed solutions. Statistical Analysis Used: Non-parametric tests and AHP approach using Expert Choice software. Results: The results showed that students were satisfied in most of the indicators. Only a few indicators received low satisfaction from students including, design attractiveness, the amount of explanation and details of information, honesty and responsiveness of authorities, and the role of e-services in the user's relationship with university. After interviewing with Information and Communications Technology (ICT) experts at the university, measurement criteria, and solutions to improve the quality were collected. The best solutions were selected by EC software. According to the results, the solution “controlling and improving the process in handling users complaints” is of the utmost importance and authorities

Electronic Processes at Organic−Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices †

KAUST Repository

Beljonne, David

2011-02-08

We report on the recent progress achieved in modeling the electronic processes that take place at interfaces between π-conjugated materials in organic opto-electronic devices. First, we provide a critical overview of the current computational techniques used to assess the morphology of organic: organic heterojunctions; we highlight the compromises that are necessary to handle large systems and multiple time scales while preserving the atomistic details required for subsequent computations of the electronic and optical properties. We then review some recent theoretical advances in describing the ground-state electronic structure at heterojunctions between donor and acceptor materials and highlight the role played by charge-transfer and long-range polarization effects. Finally, we discuss the modeling of the excited-state electronic structure at organic:organic interfaces, which is a key aspect in the understanding of the dynamics of photoinduced electron-transfer processes. © 2010 American Chemical Society.

Two-particle approach to the electronic structure of solids

International Nuclear Information System (INIS)

Gonis, A.

2007-01-01

Based on an extension of Hubbard's treatment of the electronic structure of correlated electrons in matter we propose a methodology that incorporates the scattering off the Coulomb interaction through the determination of a two-particle propagator. The Green function equations of motion are then used to obtain single-particle Green functions and related properties such as densities of states. The solutions of the equations of motion in two- and single-particle spaces are accomplished through applications of the coherent potential approximation. The formalism is illustrated by means of calculations for a single-band model system representing a linear arrangement of sites with nearest neighbor hopping and an one-site repulsion when two electrons of opposite spin occupy the same site in the lattice in the manner described by the so-called Hubbard Hamiltonian

Electron Flux Models for Different Energies at Geostationary Orbit

Science.gov (United States)

Boynton, R. J.; Balikhin, M. A.; Sibeck, D. G.; Walker, S. N.; Billings, S. A.; Ganushkina, N.

2016-01-01

Forecast models were derived for energetic electrons at all energy ranges sampled by the third-generation Geostationary Operational Environmental Satellites (GOES). These models were based on Multi-Input Single-Output Nonlinear Autoregressive Moving Average with Exogenous inputs methodologies. The model inputs include the solar wind velocity, density and pressure, the fraction of time that the interplanetary magnetic field (IMF) was southward, the IMF contribution of a solar wind-magnetosphere coupling function proposed by Boynton et al. (2011b), and the Dst index. As such, this study has deduced five new 1 h resolution models for the low-energy electrons measured by GOES (30-50 keV, 50-100 keV, 100-200 keV, 200-350 keV, and 350-600 keV) and extended the existing >800 keV and >2 MeV Geostationary Earth Orbit electron fluxes models to forecast at a 1 h resolution. All of these models were shown to provide accurate forecasts, with prediction efficiencies ranging between 66.9% and 82.3%.

Interacting electrons theory and computational approaches

CERN Document Server

Martin, Richard M; Ceperley, David M

2016-01-01

Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.

Fundamental models of electronic transport in amorphous semiconductors

International Nuclear Information System (INIS)

Emin, D.

1982-01-01

Significant fundamental questions lie at the heart of our understanding of the electronic and optical properties of semiconducting and insulating glasses. In this article the principal features of the Mott-CFO model and the small-polaron model are described. While the Mott-CFO model seems to apply to the high-mobility electron transport in glassy SiO 2 and Cd 2 As 3 it does not appear applicable to the most frequently studied chalocogenide glasses. Furthermore, the Mott-CFO model does not account for as basic a feature as the sign of the Hall effect. On the other hand, the small-polaron model accounts for the observed d.c. conductivity, Peltier heat and Hall mobility in a very simple and direct manner

Accounting of inter-electron correlations in the model of mobile electron shells

International Nuclear Information System (INIS)

Panov, Yu.D.; Moskvin, A.S.

2000-01-01

One studied the basic peculiar features of the model for mobile electron shells for multielectron atom or cluster. One offered a variation technique to take account of the electron correlations where the coordinates of the centre of single-particle atomic orbital served as variation parameters. It enables to interpret dramatically variation of electron density distribution under anisotropic external effect in terms of the limited initial basis. One studied specific correlated states that might make correlation contribution into the orbital current. Paper presents generalization of the typical MO-LCAO pattern with the limited set of single particle functions enabling to take account of additional multipole-multipole interactions in the cluster [ru

Two-parametric model of electron beam in computational dosimetry for radiation processing

International Nuclear Information System (INIS)

Lazurik, V.M.; Lazurik, V.T.; Popov, G.; Zimek, Z.

2016-01-01

Computer simulation of irradiation process of various materials with electron beam (EB) can be applied to correct and control the performances of radiation processing installations. Electron beam energy measurements methods are described in the international standards. The obtained results of measurements can be extended by implementation computational dosimetry. Authors have developed the computational method for determination of EB energy on the base of two-parametric fitting of semi-empirical model for the depth dose distribution initiated by mono-energetic electron beam. The analysis of number experiments show that described method can effectively consider random displacements arising from the use of aluminum wedge with a continuous strip of dosimetric film and minimize the magnitude uncertainty value of the electron energy evaluation, calculated from the experimental data. Two-parametric fitting method is proposed for determination of the electron beam model parameters. These model parameters are as follow: E 0 – energy mono-energetic and mono-directional electron source, X 0 – the thickness of the aluminum layer, located in front of irradiated object. That allows obtain baseline data related to the characteristic of the electron beam, which can be later on applied for computer modeling of the irradiation process. Model parameters which are defined in the international standards (like E p – the most probably energy and R p – practical range) can be linked with characteristics of two-parametric model (E 0 , X 0 ), which allows to simulate the electron irradiation process. The obtained data from semi-empirical model were checked together with the set of experimental results. The proposed two-parametric model for electron beam energy evaluation and estimation of accuracy for computational dosimetry methods on the base of developed model are discussed. - Highlights: • Experimental and computational methods of electron energy evaluation. • Development

An exciton approach to the excited states of two electron atoms. I Formalism and interpretation

International Nuclear Information System (INIS)

Schipper, P.E.

1985-01-01

The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair

Electronic learning and constructivism: a model for nursing education.

Science.gov (United States)

Kala, Sasikarn; Isaramalai, Sang-Arun; Pohthong, Amnart

2010-01-01

Nurse educators are challenged to teach nursing students to become competent professionals, who have both in-depth knowledge and decision-making skills. The use of electronic learning methods has been found to facilitate the teaching-learning process in nursing education. Although learning theories are acknowledged as useful guides to design strategies and activities of learning, integration of these theories into technology-based courses appears limited. Constructivism is a theoretical paradigm that could prove to be effective in guiding the design of electronic learning experiences for the purpose of providing positive outcomes, such as the acquisition of knowledge and decision-making skills. Therefore, the purposes of this paper are to: describe electronic learning, present a brief overview of what is known about the outcomes of electronic learning, discuss constructivism theory, present a model for electronic learning using constructivism, and describe educators' roles emphasizing the utilization of the model in developing electronic learning experiences in nursing education.

Model Order Reduction for Electronic Circuits:

DEFF Research Database (Denmark)

Hjorth, Poul G.; Shontz, Suzanne

Electronic circuits are ubiquitous; they are used in numerous industries including: the semiconductor, communication, robotics, auto, and music industries (among many others). As products become more and more complicated, their electronic circuits also grow in size and complexity. This increased...... in the semiconductor industry. Circuit simulation proceeds by using Maxwell’s equations to create a mathematical model of the circuit. The boundary element method is then used to discretize the equations, and the variational form of the equations are then solved on the graph network....

Modeling radiation loads in the ILC main linac and a novel approach to treat dark current

Energy Technology Data Exchange (ETDEWEB)

Mokhov, Nilolai V. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Rakhno, Igor L. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States); Tropin, Igor S. [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

2017-09-11

Electromagnetic and hadron showers generated by electrons of dark current (DC) can represent a significant radiation threat to the ILC linac equipment and personnel. In this study, a commissioning scenario is analysed which is considered as the worst-case scenario for the main linac regarding the DC contribution to the radiation environment in the tunnel. A normal operation scenario is analysed as well. An emphasis is made on radiation load to sensitive electronic equipment—cryogenic thermometers inside the cryomodules. Prompt and residual dose rates in the ILC main linac tunnels were also calculated in these new high-statistics runs. A novel approach was developed—as a part of general purpose Monte Carlo code MARS15—to model generation, acceleration and transport of DC electrons in electromagnetic fields inside SRF cavities. Comparisons were made with a standard approach when a set of pre-calculated DC electron trajectories is used, with a proper normalization, as a source for Monte Carlo modelling. Results of MARS15 Monte Carlo calculations, performed for the current main linac tunnel design, reveal that the peak absorbed dose in the cryogenic thermometers in the main tunnel for 20 years of operation is about 0.8 MGy. The calculated contact residual dose on cryomodules and tunnel walls in the main tunnel for typical irradiation and cooling conditions is 0.1 and 0.01 mSv/hr, respectively.

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.

A Electronic Map Data Model Based on PDF

Science.gov (United States)

Zhou, Xiaodong; Yang, Chuncheng; Meng, Nina; Peng, Peng

2018-05-01

In this paper, we proposed the PDFEMAP (PDF electronic map) that is a kind of new electronic map products aiming at the current situation and demand of the use of electronic map products. Firstly gives the definition and characteristics of PDFEMAP, followed by a detailed description of the data model and method for generating PDFEMAP, and finally expounds application modes of the PDFEMAP which feasibility and effectiveness are verified.

The Anderson model for electron localisation

International Nuclear Information System (INIS)

Pruisken, A.M.M.; Schaefer, L.

1982-01-01

The Anderson model for localisation problems is treated with field theory employing the replica trick. We show that no valid perturbation theory results out of the usual (S2)2 formalism due to mishandling of symmetries. The problem is reformulated in terms of matrix fields. It is shown that the Anderson model asymptotically exhibits an exact local gauge symmetry. Elimination of massive longitudinal components leads to a non-compact sigma model, obtained earlier for the description of electronic disorder. We thus establish that the Anderson model is in the same universality class as Wegner's gauge invariant real matrix model. (orig.)

An effective approach for choosing an electronic health record.

Science.gov (United States)

Rowley, Robert

2009-01-01

With government stimulus money becoming available to encourage healthcare facilities to adopt electronic health record (EHR) systems, the decision to move forward with implementing an EHR system has taken on an urgency not previously seen. The EHR landscape is evolving rapidly and the underlying technology platform is becoming increasingly interconnected. One must make sure that an EHR decision does not lock oneself into technology obsolescence. The best approach for evaluating an EHR is on the basis of:usability, interoperability, and affordability.

Surface hopping with a manifold of electronic states. II. Application to the many-body Anderson-Holstein model

Energy Technology Data Exchange (ETDEWEB)

Dou, Wenjie; Subotnik, Joseph E. [Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104 (United States); Nitzan, Abraham [School of Chemistry, The Sackler Faculty of Science, Tel Aviv University, Tel Aviv 69978 (Israel)

2015-02-28

We investigate a simple surface hopping (SH) approach for modeling a single impurity level coupled to a single phonon and an electronic (metal) bath (i.e., the Anderson-Holstein model). The phonon degree of freedom is treated classically with motion along–and hops between–diabatic potential energy surfaces. The hopping rate is determined by the dynamics of the electronic bath (which are treated implicitly). For the case of one electronic bath, in the limit of small coupling to the bath, SH recovers phonon relaxation to thermal equilibrium and yields the correct impurity electron population (as compared with numerical renormalization group). For the case of out of equilibrium dynamics, SH current-voltage (I-V) curve is compared with the quantum master equation (QME) over a range of parameters, spanning the quantum region to the classical region. In the limit of large temperature, SH and QME agree. Furthermore, we can show that, in the limit of low temperature, the QME agrees with real-time path integral calculations. As such, the simple procedure described here should be useful in many other contexts.

Global GPS Ionospheric Modelling Using Spherical Harmonic Expansion Approach

Directory of Open Access Journals (Sweden)

Byung-Kyu Choi

2010-12-01

Full Text Available In this study, we developed a global ionosphere model based on measurements from a worldwide network of global positioning system (GPS. The total number of the international GPS reference stations for development of ionospheric model is about 100 and the spherical harmonic expansion approach as a mathematical method was used. In order to produce the ionospheric total electron content (TEC based on grid form, we defined spatial resolution of 2.0 degree and 5.0 degree in latitude and longitude, respectively. Two-dimensional TEC maps were constructed within the interval of one hour, and have a high temporal resolution compared to global ionosphere maps which are produced by several analysis centers. As a result, we could detect the sudden increase of TEC by processing GPS observables on 29 October, 2003 when the massive solar flare took place.

THE MODEL OF LINGUISTIC TEACHERS’ COMPETENCY DEVELOPMENT ON DESIGNING MULTIMEDIA ELECTRONIC EDUCATIONAL RESOURCES IN THE MOODLE SYSTEM

Directory of Open Access Journals (Sweden)

Anton M. Avramchuk

2017-10-01

Full Text Available The article is devoted to the problem of developing the competency of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system. The concept of "the competence of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system" is justified and defined. Identified and characterized the components by which the levels of the competency development of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system should be assessed. Developed a model for the development of the competency of teachers of language disciplines on designing multimedia electronic educational resources in the Moodle system, which is based on the main scientific approaches, used in adult education, and consists of five blocks: target, informative, technological, diagnostic and effective.

A Bayesian network model for predicting type 2 diabetes risk based on electronic health records

Science.gov (United States)

Xie, Jiang; Liu, Yan; Zeng, Xu; Zhang, Wu; Mei, Zhen

2017-07-01

An extensive, in-depth study of diabetes risk factors (DBRF) is of crucial importance to prevent (or reduce) the chance of suffering from type 2 diabetes (T2D). Accumulation of electronic health records (EHRs) makes it possible to build nonlinear relationships between risk factors and diabetes. However, the current DBRF researches mainly focus on qualitative analyses, and the inconformity of physical examination items makes the risk factors likely to be lost, which drives us to study the novel machine learning approach for risk model development. In this paper, we use Bayesian networks (BNs) to analyze the relationship between physical examination information and T2D, and to quantify the link between risk factors and T2D. Furthermore, with the quantitative analyses of DBRF, we adopt EHR and propose a machine learning approach based on BNs to predict the risk of T2D. The experiments demonstrate that our approach can lead to better predictive performance than the classical risk model.

Electron acoustic solitary waves in unmagnetized two electron population dense plasmas

International Nuclear Information System (INIS)

Mahmood, S.; Masood, W.

2008-01-01

The electron acoustic solitary waves are studied in unmagnetized two population electron quantum plasmas. The quantum hydrodynamic model is employed with the Sagdeev potential approach to describe the arbitrary amplitude electron acoustic waves in a two electron population dense Fermi plasma. It is found that hot electron density hump structures are formed in the subsonic region in such type of quantum plasmas. The wave amplitude as well as the width of the soliton are increased with the increase of percentage presence of cold (thinly populated) electrons in a multicomponent quantum plasma. It is found that an increase in quantum diffraction parameter broadens the nonlinear structure. Furthermore, the amplitude of the nonlinear electron acoustic wave is found to increase with the decrease in Mach number. The numerical results are also presented to understand the formation of solitons in two electron population Fermi plasmas.

A Model-Driven Approach for Hybrid Power Estimation in Embedded Systems Design

Directory of Open Access Journals (Sweden)

Ben Atitallah Rabie

2011-01-01

Full Text Available Abstract As technology scales for increased circuit density and performance, the management of power consumption in system-on-chip (SoC is becoming critical. Today, having the appropriate electronic system level (ESL tools for power estimation in the design flow is mandatory. The main challenge for the design of such dedicated tools is to achieve a better tradeoff between accuracy and speed. This paper presents a consumption estimation approach allowing taking the consumption criterion into account early in the design flow during the system cosimulation. The originality of this approach is that it allows the power estimation for both white-box intellectual properties (IPs using annotated power models and black-box IPs using standalone power estimators. In order to obtain accurate power estimates, our simulations were performed at the cycle-accurate bit-accurate (CABA level, using SystemC. To make our approach fast and not tedious for users, the simulated architectures, including standalone power estimators, were generated automatically using a model driven engineering (MDE approach. Both annotated power models and standalone power estimators can be used together to estimate the consumption of the same architecture, which makes them complementary. The simulation results showed that the power estimates given by both estimation techniques for a hardware component are very close, with a difference that does not exceed 0.3%. This proves that, even when the IP code is not accessible or not modifiable, our approach allows obtaining quite accurate power estimates that early in the design flow thanks to the automation offered by the MDE approach.

Random-phase-approximation approach to optical and magnetic excitations in the two-dimensional multiband Hubbard model

International Nuclear Information System (INIS)

Yonemitsu, K.; Bishop, A.R.

1992-01-01

As a convenient qualitative approach to strongly correlated electronic systems, an inhomogeneous Hartree-Fock plus random-phase approximation is applied to response functions for the two-dimensional multiband Hubbard model for cuprate superconductors. A comparison of the results with those obtained by exact diagonalization by Wagner, Hanke, and Scalapino [Phys. Rev. B 43, 10 517 (1991)] shows that overall structures in optical and magnetic particle-hole excitation spectra are well reproduced by this method. This approach is computationally simple, retains conceptual clarity, and can be calibrated by comparison with exact results on small systems. Most importantly, it is easily extended to larger systems and straightforward to incorporate additional terms in the Hamiltonian, such as electron-phonon interactions, which may play a crucial role in high-temperature superconductivity

Thermal modeling and design of electronic systems and devices

International Nuclear Information System (INIS)

Wirtz, R.A.; Lehmann, G.L.

1990-01-01

The thermal control electronic devices, particularly those in complex systems with high heat flux density, continues to be of interest to engineers involved in system cooling design and analysis. This volume contains papers presented at the 1990 ASME Winter Annual Meeting in two K-16 sponsored sessions: Empirical Modeling of Heat Transfer in Complex Electronic Systems and Design and Modeling of Heat Transfer Devices in High-Density Electronics. The first group deals with understanding the heat transfer processes in these complex systems. The second group focuses on the use of analysis techniques and empirically determined data in predicting device and system operating performance

A model for disruption generated runaway electrons

International Nuclear Information System (INIS)

Russo, A.J.; Campbell, R.B.

1993-01-01

One of the possible consequences of disruptions in tokamaks is the generation of runaway electrons which can impact plasma facing components and cause damage, owing to high local energy deposition. This problem becomes more serious as the machine size and plasma current increase. Since large size and high currents are characteristics of proposed future machines, control of runaway generation is an important design consideration. A lumped circuit model for disruption runaway electron generation indicates that impurity concentration and type, as well as plasma motion, can strongly influence runaway behaviour. A comparison of disruption data from several runs on JET and DIII-D with model results demonstrate the effects of impurities, and plasma motion, on runaway number density and energy. The model is also applied to the calculation of runaway currents for ITER. (author). 16 refs, 13 figs

Basic Equations for the Modeling of Gallium Nitride (gan) High Electron Mobility Transistors (hemts)

Science.gov (United States)

Freeman, Jon C.

2003-01-01

Gallium nitride (GaN) is a most promising wide band-gap semiconductor for use in high-power microwave devices. It has functioned at 320 C, and higher values are well within theoretical limits. By combining four devices, 20 W has been developed at X-band. GaN High Electron Mobility Transistors (HEMTs) are unique in that the two-dimensional electron gas (2DEG) is supported not by intentional doping, but instead by polarization charge developed at the interface between the bulk GaN region and the AlGaN epitaxial layer. The polarization charge is composed of two parts: spontaneous and piezoelectric. This behavior is unlike other semiconductors, and for that reason, no commercially available modeling software exists. The theme of this document is to develop a self-consistent approach to developing the pertinent equations to be solved. A Space Act Agreement, "Effects in AlGaN/GaN HEMT Semiconductors" with Silvaco Data Systems to implement this approach into their existing software for III-V semiconductors, is in place (summer of 2002).

Can model Hamiltonians describe the electron–electron interaction in π-conjugated systems?: PAH and graphene

International Nuclear Information System (INIS)

Chiappe, G; Louis, E; San-Fabián, E; Vergés, J A

2015-01-01

Model Hamiltonians have been, and still are, a valuable tool for investigating the electronic structure of systems for which mean field theories work poorly. This review will concentrate on the application of Pariser–Parr–Pople (PPP) and Hubbard Hamiltonians to investigate some relevant properties of polycyclic aromatic hydrocarbons (PAH) and graphene. When presenting these two Hamiltonians we will resort to second quantisation which, although not the way chosen in its original proposal of the former, is much clearer. We will not attempt to be comprehensive, but rather our objective will be to try to provide the reader with information on what kinds of problems they will encounter and what tools they will need to solve them. One of the key issues concerning model Hamiltonians that will be treated in detail is the choice of model parameters. Although model Hamiltonians reduce the complexity of the original Hamiltonian, they cannot be solved in most cases exactly. So, we shall first consider the Hartree–Fock approximation, still the only tool for handling large systems, besides density functional theory (DFT) approaches. We proceed by discussing to what extent one may exactly solve model Hamiltonians and the Lanczos approach. We shall describe the configuration interaction (CI) method, a common technology in quantum chemistry but one rarely used to solve model Hamiltonians. In particular, we propose a variant of the Lanczos method, inspired by CI, that has the novelty of using as the seed of the Lanczos process a mean field (Hartree–Fock) determinant (the method will be named LCI). Two questions of interest related to model Hamiltonians will be discussed: (i) when including long-range interactions, how crucial is including in the Hamiltonian the electronic charge that compensates ion charges? (ii) Is it possible to reduce a Hamiltonian incorporating Coulomb interactions (PPP) to an ‘effective’ Hamiltonian including only on-site interactions (Hubbard)? The

Modeling and Verification of Dependable Electronic Power System Architecture

Science.gov (United States)

Yuan, Ling; Fan, Ping; Zhang, Xiao-fang

The electronic power system can be viewed as a system composed of a set of concurrently interacting subsystems to generate, transmit, and distribute electric power. The complex interaction among sub-systems makes the design of electronic power system complicated. Furthermore, in order to guarantee the safe generation and distribution of electronic power, the fault tolerant mechanisms are incorporated in the system design to satisfy high reliability requirements. As a result, the incorporation makes the design of such system more complicated. We propose a dependable electronic power system architecture, which can provide a generic framework to guide the development of electronic power system to ease the development complexity. In order to provide common idioms and patterns to the system *designers, we formally model the electronic power system architecture by using the PVS formal language. Based on the PVS model of this system architecture, we formally verify the fault tolerant properties of the system architecture by using the PVS theorem prover, which can guarantee that the system architecture can satisfy high reliability requirements.

Global energy modeling - A biophysical approach

Energy Technology Data Exchange (ETDEWEB)

Dale, Michael

2010-09-15

This paper contrasts the standard economic approach to energy modelling with energy models using a biophysical approach. Neither of these approaches includes changing energy-returns-on-investment (EROI) due to declining resource quality or the capital intensive nature of renewable energy sources. Both of these factors will become increasingly important in the future. An extension to the biophysical approach is outlined which encompasses a dynamic EROI function that explicitly incorporates technological learning. The model is used to explore several scenarios of long-term future energy supply especially concerning the global transition to renewable energy sources in the quest for a sustainable energy system.

Electronic structure prediction via data-mining the empirical pseudopotential method

Energy Technology Data Exchange (ETDEWEB)

Zenasni, H; Aourag, H [LEPM, URMER, Departement of Physics, University Abou Bakr Belkaid, Tlemcen 13000 (Algeria); Broderick, S R; Rajan, K [Department of Materials Science and Engineering, Iowa State University, Ames, Iowa 50011-2230 (United States)

2010-01-15

We introduce a new approach for accelerating the calculation of the electronic structure of new materials by utilizing the empirical pseudopotential method combined with data mining tools. Combining data mining with the empirical pseudopotential method allows us to convert an empirical approach to a predictive approach. Here we consider tetrahedrally bounded III-V Bi semiconductors, and through the prediction of form factors based on basic elemental properties we can model the band structure and charge density for these semi-conductors, for which limited results exist. This work represents a unique approach to modeling the electronic structure of a material which may be used to identify new promising semi-conductors and is one of the few efforts utilizing data mining at an electronic level. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

International Nuclear Information System (INIS)

Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon

2015-01-01

The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF − and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN + , and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects

Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

Energy Technology Data Exchange (ETDEWEB)

Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave., Urbana, Illinois 61801 (United States)

2015-06-07

The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF{sup −} and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN{sup +}, and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects.

A modified linear algebraic approach to electron scattering using cubic splines

International Nuclear Information System (INIS)

Kinney, R.A.

1986-01-01

A modified linear algebraic approach to the solution of the Schrodiner equation for low-energy electron scattering is presented. The method uses a piecewise cubic-spline approximation of the wavefunction. Results in the static-potential and the static-exchange approximations for e - +H s-wave scattering are compared with unmodified linear algebraic and variational linear algebraic methods. (author)

A Comparative Study of Spectral Auroral Intensity Predictions From Multiple Electron Transport Models

Science.gov (United States)

Grubbs, Guy; Michell, Robert; Samara, Marilia; Hampton, Donald; Hecht, James; Solomon, Stanley; Jahn, Jorg-Micha

2018-01-01

It is important to routinely examine and update models used to predict auroral emissions resulting from precipitating electrons in Earth's magnetotail. These models are commonly used to invert spectral auroral ground-based images to infer characteristics about incident electron populations when in situ measurements are unavailable. In this work, we examine and compare auroral emission intensities predicted by three commonly used electron transport models using varying electron population characteristics. We then compare model predictions to same-volume in situ electron measurements and ground-based imaging to qualitatively examine modeling prediction error. Initial comparisons showed differences in predictions by the GLobal airglOW (GLOW) model and the other transport models examined. Chemical reaction rates and radiative rates in GLOW were updated using recent publications, and predictions showed better agreement with the other models and the same-volume data, stressing that these rates are important to consider when modeling auroral processes. Predictions by each model exhibit similar behavior for varying atmospheric constants, energies, and energy fluxes. Same-volume electron data and images are highly correlated with predictions by each model, showing that these models can be used to accurately derive electron characteristics and ionospheric parameters based solely on multispectral optical imaging data.

System Testability Analysis for Complex Electronic Devices Based on Multisignal Model

International Nuclear Information System (INIS)

Long, B; Tian, S L; Huang, J G

2006-01-01

It is necessary to consider the system testability problems for electronic devices during their early design phase because modern electronic devices become smaller and more compositive while their function and structure are more complex. Multisignal model, combining advantage of structure model and dependency model, is used to describe the fault dependency relationship for the complex electronic devices, and the main testability indexes (including optimal test program, fault detection rate, fault isolation rate, etc.) to evaluate testability and corresponding algorithms are given. The system testability analysis process is illustrated for USB-GPIB interface circuit with TEAMS toolbox. The experiment results show that the modelling method is simple, the computation speed is rapid and this method has important significance to improve diagnostic capability for complex electronic devices

Communication: Electronic and transport properties of molecular junctions under a finite bias: A dual mean field approach

International Nuclear Information System (INIS)

Liu, Shuanglong; Feng, Yuan Ping; Zhang, Chun

2013-01-01

We show that when a molecular junction is under an external bias, its properties cannot be uniquely determined by the total electron density in the same manner as the density functional theory for ground state properties. In order to correctly incorporate bias-induced nonequilibrium effects, we present a dual mean field (DMF) approach. The key idea is that the total electron density together with the density of current-carrying electrons are sufficient to determine the properties of the system. Two mean fields, one for current-carrying electrons and the other one for equilibrium electrons can then be derived. Calculations for a graphene nanoribbon junction show that compared with the commonly used ab initio transport theory, the DMF approach could significantly reduce the electric current at low biases due to the non-equilibrium corrections to the mean field potential in the scattering region

Exact diagonalization library for quantum electron models

Science.gov (United States)

Iskakov, Sergei; Danilov, Michael

2018-04-01

We present an exact diagonalization C++ template library (EDLib) for solving quantum electron models, including the single-band finite Hubbard cluster and the multi-orbital impurity Anderson model. The observables that can be computed using EDLib are single particle Green's functions and spin-spin correlation functions. This code provides three different types of Hamiltonian matrix storage that can be chosen based on the model.

Phenomenological model of an electron flow with a virtual cathode

International Nuclear Information System (INIS)

Koronovskij, A.A.; Khramov, A.E.; Anfinogenov, V.G.

1999-01-01

A phenomenological model of electron flow with a virtual cathode in diode space, which is a modification of cellular automation, is suggested. The type of models, called cellular conveyer, permits making allowance for distribution and delay in a beam with a virtual cathode. A good agreement between results of numerical study of electron flow dynamics and results obtained using the phenomenological model described has been achieved [ru

Characterization of electron states in dense plasmas and its use in atomic kinetics modeling

International Nuclear Information System (INIS)

Fisher, D.V.; Maron, Y.

2003-01-01

We describe a self-consistent statistical approach to account for plasma density effects in collisional-radiative kinetics. The approach is based on the characterization of three distinct types of electron states, namely, bound, collectivized, and free, and on the formalism of the effective statistical weights (ESW) of the bound states. The present approach accounts for individual and collective effects of the surrounding electrons and ions on atomic (ionic) electron states. High-accuracy expressions for the ESWs of bound states have been derived. The notions of ionization stage population, free electron density, and rate coefficient are redefined in accordance with the present characterization scheme. The modified expressions for the probabilities of electron-impact induced transitions as well as spontaneous and induced radiative transitions are then obtained. The influence of collectivized states on a dense plasma ionization composition is demonstrated to be strong. Examples of calculated ESWs and populations of ionic quantum states for steady state and transient plasmas are given

Novel extension of the trap model for electrons in liquid hydrocarbons

International Nuclear Information System (INIS)

Jamal, M.A.; Watt, D.E.

1981-01-01

A novel extension for the trap model of electron mobilities in liquid hydrocarbons is described. The new model assumes: (a) two main types of electron trap exist in liquid hydrocarbons, one is deep and the second is shallow; (b) these traps are the same in all liquid alkanes. The difference in electron mobilities in different alkanes is accounted for by the difference in the frequency of electron trapping in each state. The probability of trapping in each state has been evaluated from the known structures of the normal alkanes. Electron mobilities in normal alkanes (C 3 -C 10 ) show a very good correlation with the probability of trapping in deep traps, suggesting that the C-C bonds are the main energy sinks of the electron. A mathematical formula which expresses the electron mobility in terms of the probability of trapping in deep traps has been found from the Arrhenius relationship between electron mobilities and probability of trapping. The model has been extended for branched alkanes and the relatively high electron mobilities in globular alkanes has been explained by the fact that each branch provides some degree of screening to the skeleton structure of the molecule resulting in reduction of the probability of electron interaction with the molecular skeleton. (author)

The Development Model Electronic Commerce of Regional Agriculture

Science.gov (United States)

Kang, Jun; Cai, Lecai; Li, Hongchan

With the developing of the agricultural information, it is inevitable trend of the development of agricultural electronic commercial affairs. On the basis of existing study on the development application model of e-commerce, combined with the character of the agricultural information, compared with the developing model from the theory and reality, a new development model electronic commerce of regional agriculture base on the government is put up, and such key issues as problems of the security applications, payment mode, sharing mechanisms, and legal protection are analyzed, etc. The among coordination mechanism of the region is discussed on, it is significance for regulating the development of agricultural e-commerce and promoting the regional economical development.

Comparisons of Multilevel Modeling and Structural Equation Modeling Approaches to Actor-Partner Interdependence Model.

Science.gov (United States)

Hong, Sehee; Kim, Soyoung

2018-01-01

There are basically two modeling approaches applicable to analyzing an actor-partner interdependence model: the multilevel modeling (hierarchical linear model) and the structural equation modeling. This article explains how to use these two models in analyzing an actor-partner interdependence model and how these two approaches work differently. As an empirical example, marital conflict data were used to analyze an actor-partner interdependence model. The multilevel modeling and the structural equation modeling produced virtually identical estimates for a basic model. However, the structural equation modeling approach allowed more realistic assumptions on measurement errors and factor loadings, rendering better model fit indices.

Electron microscopy approach for the visualization of the epithelial and endothelial glycocalyx.

Science.gov (United States)

Chevalier, L; Selim, J; Genty, D; Baste, J M; Piton, N; Boukhalfa, I; Hamzaoui, M; Pareige, P; Richard, V

2017-06-01

This study presents a methodological approach for the visualization of the glycocalyx by electron microscopy. The glycocalyx is a three dimensional network mainly composed of glycolipids, glycoproteins and proteoglycans associated with the plasma membrane. Since less than a decade, the epithelial and endothelial glycocalyx proved to play an important role in physiology and pathology, increasing its research interest especially in vascular functions. Therefore, visualization of the glycocalyx requires reliable techniques and its preservation remains challenging due to its fragile and dynamic organization, which is highly sensitive to the different process steps for electron microscopy sampling. In this study, chemical fixation was performed by perfusion as a good alternative to conventional fixation. Additional lanthanum nitrate in the fixative enhances staining of the glycocalyx in transmission electron microscopy bright field and improves its visualization by detecting the elastic scattered electrons, thus providing a chemical contrast. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Quantitative vs. qualitative approaches to the electronic structure of solids

International Nuclear Information System (INIS)

Oliva, J.M.; Llunell, Miquel; Alemany, Pere; Canadell, Enric

2003-01-01

The usefulness of qualitative and quantitative theoretical approaches in solid state chemistry is discussed by considering three different types of problems: (a) the distribution of boron and carbon atoms in MB 2 C 2 (M=Ca, La, etc.) phases, (b) the band structure and Fermi surface of low-dimensional transition metal oxides and bronzes, and (c) the correlation between the crystal and electronic structure of the ternary nitride Ca 2 AuN

Monte Carlo modeling of ion beam induced secondary electrons

Energy Technology Data Exchange (ETDEWEB)

Huh, U., E-mail: uhuh@vols.utk.edu [Biochemistry & Cellular & Molecular Biology, University of Tennessee, Knoxville, TN 37996-0840 (United States); Cho, W. [Electrical and Computer Engineering, University of Tennessee, Knoxville, TN 37996-2100 (United States); Joy, D.C. [Biochemistry & Cellular & Molecular Biology, University of Tennessee, Knoxville, TN 37996-0840 (United States); Center for Nanophase Materials Science, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)

2016-09-15

Ion induced secondary electrons (iSE) can produce high-resolution images ranging from a few eV to 100 keV over a wide range of materials. The interpretation of such images requires knowledge of the secondary electron yields (iSE δ) for each of the elements and materials present and as a function of the incident beam energy. Experimental data for helium ions are currently limited to 40 elements and six compounds while other ions are not well represented. To overcome this limitation, we propose a simple procedure based on the comprehensive work of Berger et al. Here we show that between the energy range of 10–100 keV the Berger et al. data for elements and compounds can be accurately represented by a single universal curve. The agreement between the limited experimental data that is available and the predictive model is good, and has been found to provide reliable yield data for a wide range of elements and compounds. - Highlights: • The Universal ASTAR Yield Curve was derived from data recently published by NIST. • IONiSE incorporated with the Curve will predict iSE yield for elements and compounds. • This approach can also handle other ion beams by changing basic scattering profile.

Symmetry-projected variational approach to the one-dimensional Hubbard model

International Nuclear Information System (INIS)

Schmid, K.W.; Dahm, T.; Margueron, J.; Muether, H.

2005-01-01

We apply a variational method devised for the nuclear many-body problem to the one-dimensional Hubbard model with nearest neighbor hopping and periodic boundary conditions. The test wave function consist for each state out of a single Hartree-Fock determinant mixing all the sites (or momenta) as well as the spin projections of the electrons. Total spin and linear momentum are restored by projection methods before the variation. It is demonstrated that this approach reproduces the results of exact diagonalizations for half-filled N=12 and N=14 lattices not only for the energies and occupation numbers of the ground but also of the lowest excited states rather well. Furthermore, a system of ten electrons in an N=12 lattice is investigated and, finally, an N=30 lattice is studied. In addition to energies and occupation numbers we present the spectral functions computed with the help of the symmetry-projected wave functions as well

A magnetospheric specification model validation study: Geosynchronous electrons

Science.gov (United States)

Hilmer, R. V.; Ginet, G. P.

2000-09-01

The Rice University Magnetospheric Specification Model (MSM) is an operational space environment model of the inner and middle magnetosphere designed to specify charged particle fluxes up to 100keV. Validation test data taken between January 1996 and June 1998 consist of electron fluxes measured by a charge control system (CCS) on a defense satellite communications system (DSCS) spacecraft. The CCS includes both electrostatic analyzers to measure the particle environment and surface potential monitors to track differential charging between various materials and vehicle ground. While typical RMS error analysis methods provide a sense of the models overall abilities, they do not specifically address physical situations critical to operations, i.e., how well does the model specify when a high differential charging state is probable. In this validation study, differential charging states observed by DSCS are used to determine several threshold fluxes for the associated 20-50keV electrons and joint probability distributions are constructed to determine Hit, Miss, and False Alarm rates for the models. An MSM run covering the two and one-half year interval is performed using the minimum required input parameter set, consisting of only the magnetic activity index Kp, in order to statistically examine the model's seasonal and yearly performance. In addition, the relative merits of the input parameter, i.e., Kp, Dst, the equatorward boundary of diffuse aurora at midnight, cross-polar cap potential, solar wind density and velocity, and interplanetary magnetic field values, are evaluated as drivers of shorter model runs of 100 d each. In an effort to develop operational tools that can address spacecraft charging issues, we also identify temporal features in the model output that can be directly linked to input parameter variations and model boundary conditions. All model output is interpreted using the full three-dimensional, dipole tilt-dependent algorithms currently in

Electronic Processes at Organic−Organic Interfaces: Insight from Modeling and Implications for Opto-electronic Devices †

KAUST Repository

Beljonne, David; Cornil, Jérôme; Muccioli, Luca; Zannoni, Claudio; Brédas, Jean-Luc; Castet, Frédéric

2011-01-01

We report on the recent progress achieved in modeling the electronic processes that take place at interfaces between π-conjugated materials in organic opto-electronic devices. First, we provide a critical overview of the current computational

A Regularized Deep Learning Approach for Clinical Risk Prediction of Acute Coronary Syndrome Using Electronic Health Records.

Science.gov (United States)

Huang, Zhengxing; Dong, Wei; Duan, Huilong; Liu, Jiquan

2018-05-01

Acute coronary syndrome (ACS), as a common and severe cardiovascular disease, is a leading cause of death and the principal cause of serious long-term disability globally. Clinical risk prediction of ACS is important for early intervention and treatment. Existing ACS risk scoring models are based mainly on a small set of hand-picked risk factors and often dichotomize predictive variables to simplify the score calculation. This study develops a regularized stacked denoising autoencoder (SDAE) model to stratify clinical risks of ACS patients from a large volume of electronic health records (EHR). To capture characteristics of patients at similar risk levels, and preserve the discriminating information across different risk levels, two constraints are added on SDAE to make the reconstructed feature representations contain more risk information of patients, which contribute to a better clinical risk prediction result. We validate our approach on a real clinical dataset consisting of 3464 ACS patient samples. The performance of our approach for predicting ACS risk remains robust and reaches 0.868 and 0.73 in terms of both AUC and accuracy, respectively. The obtained results show that the proposed approach achieves a competitive performance compared to state-of-the-art models in dealing with the clinical risk prediction problem. In addition, our approach can extract informative risk factors of ACS via a reconstructive learning strategy. Some of these extracted risk factors are not only consistent with existing medical domain knowledge, but also contain suggestive hypotheses that could be validated by further investigations in the medical domain.

Electron Energetics in the Martian Dayside Ionosphere: Model Comparisons with MAVEN Data

Science.gov (United States)

Sakai, Shotaro; Andersson, Laila; Cravens, Thomas E.; Mitchell, David L.; Mazelle, Christian; Rahmati, Ali; Fowler, Christopher M.; Bougher, Stephen W.; Thiemann, Edward M. B.; Epavier, Francis G.;

A Multi-Model Approach for System Diagnosis

DEFF Research Database (Denmark)

Niemann, Hans Henrik; Poulsen, Niels Kjølstad; Bækgaard, Mikkel Ask Buur

2007-01-01

A multi-model approach for system diagnosis is presented in this paper. The relation with fault diagnosis as well as performance validation is considered. The approach is based on testing a number of pre-described models and find which one is the best. It is based on an active approach......,i.e. an auxiliary input to the system is applied. The multi-model approach is applied on a wind turbine system....

Eikonal approach to the atomic break-up process by polarized electrons

International Nuclear Information System (INIS)

Onaga, Tomohide

1992-01-01

The cross section asymmetry for ionization of hydrogen atoms by electron impact is analysed in the eikonal approach. A new formulation is given for the evaluation of the exchange amplitude up to higher partial Coulomb waves. It is concluded that the cross section asymmetry gives an important criterion or interesting test of validity of approximation methods with the exchange effect. (author)

Hybridization approach to in-line and off-axis (electron) holography for superior resolution and phase sensitivity

Science.gov (United States)

Ozsoy-Keskinbora, C.; Boothroyd, C. B.; Dunin-Borkowski, R. E.; van Aken, P. A.; Koch, C. T.

2014-01-01

Holography - originally developed for correcting spherical aberration in transmission electron microscopes - is now used in a wide range of disciplines that involve the propagation of waves, including light optics, electron microscopy, acoustics and seismology. In electron microscopy, the two primary modes of holography are Gabor's original in-line setup and an off-axis approach that was developed subsequently. These two techniques are highly complementary, offering superior phase sensitivity at high and low spatial resolution, respectively. All previous investigations have focused on improving each method individually. Here, we show how the two approaches can be combined in a synergetic fashion to provide phase information with excellent sensitivity across all spatial frequencies, low noise and an efficient use of electron dose. The principle is also expected to be widely to applications of holography in light optics, X-ray optics, acoustics, ultra-sound, terahertz imaging, etc. PMID:25387480

Preparing for Electronic Medical Record Implementation: Carolina Care Communication in an Electronic Environment.

Science.gov (United States)

Carroll, Tracy; Tonges, Mary; Ray, Joel

2017-11-01

This article describes 1 organization's successful approach to mitigating the potential negative effects of a new electronic medical record on patient experience. The Carolina Care model, developed at the University of North Carolina Hospitals to actualize caring theory in practice, helped to structure and greatly facilitate this work. Seven focus areas were integrated to create the "Communication in an Electronic Environment" program with a strong emphasis on nurse-patient communication.

Electron Correlation Models for Optical Activity

DEFF Research Database (Denmark)

Höhn, E. G.; O. E. Weigang, Jr.

1968-01-01

A two-system no-overlap model for rotatory strength is developed for electric-dipole forbidden as well as allowed transitions. General equations which allow for full utilization of symmetry in the chromophore and in the environment are obtained. The electron correlation terms are developed in full...

The King model for electrons in a finite-size ultracold plasma

Energy Technology Data Exchange (ETDEWEB)

Vrinceanu, D; Collins, L A [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Balaraman, G S [School of Physics, Georgia Institute of Technology, Atlanta, GA 30332 (United States)

2008-10-24

A self-consistent model for a finite-size non-neutral ultracold plasma is obtained by extending a conventional model of globular star clusters. This model describes the dynamics of electrons at quasi-equilibrium trapped within the potential created by a cloud of stationary ions. A random sample of electron positions and velocities can be generated with the statistical properties defined by this model.

Ab initio methods for electron-molecule collisions

International Nuclear Information System (INIS)

Collins, L.A.; Schneider, B.I.

1987-01-01

This review concentrates on the recent advances in treating the electronic aspect of the electron-molecule interaction and leaves to other articles the description of the rotational and vibrational motions. Those methods which give the most complete treatment of the direct, exchange, and correlation effects are focused on. Such full treatments are generally necessary at energies below a few Rydbergs (≅ 60 eV). This choice unfortunately necessitates omission of those active and vital areas devoted to the development of model potentials and approximate scattering formulations. The ab initio and model approaches complement each other and are both extremely important to the full explication of the electron-scattering process. Due to the rapid developments of recent years, the approaches that provide the fullest treatment are concentrated on. 81 refs

An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

Science.gov (United States)

Hendrickson, Heidi Phillips

technological design and development. Time dependent perturbation theory, employed by non-equilibrium Green's function formalism, is utilized to study the effect of quantum coherences on electron transport and the effect of symmetry breaking on the electronic spectra of model molecular junctions. The fourth part of this thesis presents the design of a physical chemistry course based on a pedagogical approach called Writing-to-Teach. The nature of inaccuracies expressed in student-generated explanations of quantum chemistry topics, and the ability of a peer review process to engage these inaccuracies, is explored within this context.

The Role of Electron Transport and Trapping in MOS Total-Dose Modeling

International Nuclear Information System (INIS)

Fleetwood, D.M.; Winokur, P.S.; Riewe, L.C.; Flament, O.; Paillet, P.; Leray, J.L.

1999-01-01

Radiation-induced hole and electron transport and trapping are fundamental to MOS total-dose models. Here we separate the effects of electron-hole annihilation and electron trapping on the neutralization of radiation-induced charge during switched-bias irradiation for hard and soft oxides, via combined thermally stimulated current (TSC) and capacitance-voltage measurements. We also show that present total-dose models cannot account for the thermal stability of deeply trapped electrons near the Si/SiO 2 interface, or the inability of electrons in deep or shallow traps to contribute to TSC at positive bias following (1) room-temperature, (2) high-temperature, or (3) switched-bias irradiation. These results require revisions of modeling parameters and boundary conditions for hole and electron transport in SiO 2 . The nature of deep and shallow electron traps in the near-interfacial SiO 2 is discussed

Computational Model of D-Region Ion Production Caused by Energetic Electron Precipitations Based on General Monte Carlo Transport Calculations

Science.gov (United States)

Kouznetsov, A.; Cully, C. M.

2017-12-01

During enhanced magnetic activities, large ejections of energetic electrons from radiation belts are deposited in the upper polar atmosphere where they play important roles in its physical and chemical processes, including VLF signals subionospheric propagation. Electron deposition can affect D-Region ionization, which are estimated based on ionization rates derived from energy depositions. We present a model of D-region ion production caused by an arbitrary (in energy and pitch angle) distribution of fast (10 keV - 1 MeV) electrons. The model relies on a set of pre-calculated results obtained using a general Monte Carlo approach with the latest version of the MCNP6 (Monte Carlo N-Particle) code for the explicit electron tracking in magnetic fields. By expressing those results using the ionization yield functions, the pre-calculated results are extended to cover arbitrary magnetic field inclinations and atmospheric density profiles, allowing ionization rate altitude profile computations in the range of 20 and 200 km at any geographic point of interest and date/time by adopting results from an external atmospheric density model (e.g. NRLMSISE-00). The pre-calculated MCNP6 results are stored in a CDF (Common Data Format) file, and IDL routines library is written to provide an end-user interface to the model.

A new Predictive Model for Relativistic Electrons in Outer Radiation Belt

Science.gov (United States)

Chen, Y.

2017-12-01

Relativistic electrons trapped in the Earth's outer radiation belt present a highly hazardous radiation environment for spaceborne electronics. These energetic electrons, with kinetic energies up to several megaelectron-volt (MeV), manifest a highly dynamic and event-specific nature due to the delicate interplay of competing transport, acceleration and loss processes. Therefore, developing a forecasting capability for outer belt MeV electrons has long been a critical and challenging task for the space weather community. Recently, the vital roles of electron resonance with waves (including such as chorus and electromagnetic ion cyclotron) have been widely recognized; however, it is still difficult for current diffusion radiation belt models to reproduce the behavior of MeV electrons during individual geomagnetic storms, mainly because of the large uncertainties existing in input parameters. In this work, we expanded our previous cross-energy cross-pitch-angle coherence study and developed a new predictive model for MeV electrons over a wide range of L-shells inside the outer radiation belt. This new model uses NOAA POES observations from low-Earth-orbits (LEOs) as inputs to provide high-fidelity nowcast (multiple hour prediction) and forecast (> 1 day prediction) of the energization of MeV electrons as well as the evolving MeV electron distributions afterwards during storms. Performance of the predictive model is quantified by long-term in situ data from Van Allen Probes and LANL GEO satellites. This study adds new science significance to an existing LEO space infrastructure, and provides reliable and powerful tools to the whole space community.

A ballistic transport model for electronic excitation following particle impact

Science.gov (United States)

Hanke, S.; Heuser, C.; Weidtmann, B.; Wucher, A.

2018-01-01

We present a ballistic model for the transport of electronic excitation energy induced by keV particle bombardment onto a solid surface. Starting from a free electron gas model, the Boltzmann transport equation (BTE) is employed to follow the evolution of the temporal and spatial distribution function f (r → , k → , t) describing the occupation probability of an electronic state k → at position r → and time t. Three different initializations of the distribution function are considered: i) a thermal distribution function with a locally and temporally elevated electron temperature, ii) a peak excitation at a specific energy above the Fermi level with a quasi-isotropic distribution in k-space and iii) an anisotropic peak excitation with k-vectors oriented in a specific transport direction. While the first initialization resembles a distribution function which may, for instance, result from electronic friction of moving atoms within an ion induced collision cascade, the peak excitation can in principle result from an autoionization process after excitation in close binary collisions. By numerically solving the BTE, we study the electronic energy exchange along a one dimensional transport direction to obtain a time and space resolved excitation energy distribution function, which is then analyzed in view of general transport characteristics of the chosen model system.

A new theoretical model for scattering of electrons by molecules. 1

International Nuclear Information System (INIS)

Peixoto, E.M.A.; Mu-tao, L.; Nogueira, J.C.

1975-01-01

A new theoretical model for electron-molecule scattering is suggested. The e-H 2 scattering is studied and the superiority of the new model over the commonly used Independent Atom Model (IAM) is demonstrated. Comparing theoretical and experimental data for 40keV electrons scattered by H 2 utilizing the new model, its validity is proved, while Partial Wave and First Born calculations, employing the Independent Atom Model, strongly deviated from the experiment [pt

Nanotubule and Tour Molecule Based Molecular Electronics: Suggestion for a Hybrid Approach

Science.gov (United States)

Srivastava, Deepak; Saini, Subhash (Technical Monitor)

1998-01-01

Recent experimental and theoretical attempts and results indicate two distinct broad pathways towards future molecular electronic devices and architectures. The first is the approach via Tour type ladder molecules and their junctions which can be fabricated with solution phase chemical approaches. Second are fullerenes or nanotubules and their junctions which may have better conductance, switching and amplifying characteristics but can not be made through well controlled and defined chemical means. A hybrid approach combining the two pathways to take advantage of the characteristics of both is suggested. Dimension and scale of such devices would be somewhere in between isolated molecule and nanotubule based devices but it maybe possible to use self-assembly towards larger functional and logicalunits.

Adaptive integral backstepping sliding mode control for opto-electronic tracking system based on modified LuGre friction model

Science.gov (United States)

Yue, Fengfa; Li, Xingfei; Chen, Cheng; Tan, Wenbin

2017-12-01

In order to improve the control accuracy and stability of opto-electronic tracking system fixed on reef or airport under friction and external disturbance conditions, adaptive integral backstepping sliding mode control approach with friction compensation is developed to achieve accurate and stable tracking for fast moving target. The nonlinear observer and slide mode controller based on modified LuGre model with friction compensation can effectively reduce the influence of nonlinear friction and disturbance of this servo system. The stability of the closed-loop system is guaranteed by Lyapunov theory. The steady-state error of the system is eliminated by integral action. The adaptive integral backstepping sliding mode controller and its performance are validated by a nonlinear modified LuGre dynamic model of the opto-electronic tracking system in simulation and practical experiments. The experiment results demonstrate that the proposed controller can effectively realise the accuracy and stability control of opto-electronic tracking system.

The isotropic local Wigner-Seitz model: An accurate theoretical model for the quasi-free electron energy in fluids

Science.gov (United States)

Evans, Cherice; Findley, Gary L.

The quasi-free electron energy V0 (ρ) is important in understanding electron transport through a fluid, as well as for modeling electron attachment reactions in fluids. Our group has developed an isotropic local Wigner-Seitz model that allows one to successfully calculate the quasi-free electron energy for a variety of atomic and molecular fluids from low density to the density of the triple point liquid with only a single adjustable parameter. This model, when coupled with the quasi-free electron energy data and the thermodynamic data for the fluids, also can yield optimized intermolecular potential parameters and the zero kinetic energy electron scattering length. In this poster, we give a review of the isotropic local Wigner-Seitz model in comparison to previous theoretical models for the quasi-free electron energy. All measurements were performed at the University of Wisconsin Synchrotron Radiation Center. This work was supported by a Grants from the National Science Foundation (NSF CHE-0956719), the Petroleum Research Fund (45728-B6 and 5-24880), the Louisiana Board of Regents Support Fund (LEQSF(2006-09)-RD-A33), and the Professional Staff Congress City University of New York.

Wave packet formulation of the boomerang model for resonant electron--molecule scattering

International Nuclear Information System (INIS)

McCurdy, C.W.; Turner, J.L.

1983-01-01

A time-dependent formulation of the boomerang model for resonant electron--molecule scattering is presented in terms of a wave packet propagating on the complex potential surface of the metastable anion. The results of calculations using efficient semiclassical techniques for propagating the wave packet are found to be in excellent agreement with full quantum-mechanical calculations of vibrational excitation cross sections in e - --N 2 scattering. The application of the wave packet formulation as a computational and conceptual approach to the problem of resonant collisions with polyatomic molecules is discussed in the light of recent wave packet calculations on polyatomic photodissociation and Raman spectra

Correlated nuclear and electronic dynamics in photoionized systems studied by quantum and mixed quantum-classical approaches

International Nuclear Information System (INIS)

Li, Zheng

2014-09-01

The advent of free electron lasers and high harmonic sources enables the investigation of electronic and nuclear dynamics of molecules and solids with atomic spatial resolution and femtosecond/attosecond time resolution, using bright and ultrashort laser pulses of frequency from terahertz to hard x-ray range. With the help of ultrashort laser pulses, the nuclear and electronic dynamics can be initiated, monitored and actively controlled at the typical time scale in the femtosecond to attosecond realm. Meanwhile, theoretical tools are required to describe the underlying mechanism. This doctoral thesis focuses on the development of theoretical tools based on full quantum mechanical multiconfiguration time-dependent Hartree (MCTDH) and mixed quantum classical approaches, which can be applied to describe the dynamical behavior of gas phase molecules and strongly correlated solids in the presence of ultrashort laser pulses. In the first part of this thesis, the focus is on the motion of electron holes in gas phase molecular ions created by extreme ultraviolet (XUV) photoionization and watched by spectroscopic approaches. The XUV photons create electron-hole in the valence orbitals of molecules by photoionization, the electron hole, as a positively charged quasi-particle, can then interact with the nuclei and the rest of electrons, leading to coupled non-Born-Oppenheimer dynamics. I present our study on electron-hole relaxation dynamics in valence ionized molecular ions of moderate size, using quantum wave packet and mixed quantum-classical approaches, using photoionized [H + (H 2 O) n ] + molecular ion as example. We have shown that the coupled motion of the electron-hole and the nuclei can be mapped out with femtosecond resolution by core-level x-ray transient absorption spectroscopy. Furthermore, in specific cases, the XUV photon can create a coherent electron hole, that can maintain its coherence to time scales of ∝ 1 picosecond. Employing XUV pump - IR probe

Analyses of experimental observations of electron temperatures in the near wake of a model in a laboratory-simulated solar wind plasma

International Nuclear Information System (INIS)

Intriligator, D.S.; Steele, G.R.

1985-01-01

Laboratory experiments have been performed that show the effect on the electron temperature of inserting a spherical conducting model, larger than the Debye length, into a free-streaming high-energy (1 kv) unmagnetized hydrogen plasma. These experiments are the first electron temperature experiments conducted at energies and compositions directly relevant to solar wind and astrophysical plasma phenomena. The incident plasma parameters were held constant. A large number of axial profiles of the electron temperature ratios T/sub e//sub in// T/sub e//sub out/ behind the model downstream in the model wake are presented. A rigorous statistical approach is used in the analysis of the electron temperature ratio data in both our experimental laboratory data and in our reanalysis of the published data of others. The following new results ae obtained: (1) In energetic plasma flow there is no overall temperature enhancement in the near wake since the best fit to the T/sub e//sub i/n/ T/sub e//sub out/ data is a horizontal straight line having a mean value of 1.05; (2) No statistically significant electron temperature enhancement peaks or depressions exist in the near-wake region behind a model at zero potential in a high-energy plasma even at distances less than or equal to Ma, where M is the acoustic Mach number and a is the model radius. This implies a ''filling in'' of electrons in the wake region which may be due to the higher mobility of these energetic electrons. This mechanism may permit the solar wind electrons to significantly contribute to the maintenance of the nightside ionosphere at Venus

Modelling hot electron generation in short pulse target heating experiments

Directory of Open Access Journals (Sweden)

Sircombe N.J.

2013-11-01

Full Text Available Target heating experiments planned for the Orion laser facility, and electron beam driven fast ignition schemes, rely on the interaction of a short pulse high intensity laser with dense material to generate a flux of energetic electrons. It is essential that the characteristics of this electron source are well known in order to inform transport models in radiation hydrodynamics codes and allow effective evaluation of experimental results and forward modelling of future campaigns. We present results obtained with the particle in cell (PIC code EPOCH for realistic target and laser parameters, including first and second harmonic light. The hot electron distributions are characterised and their implications for onward transport and target heating are considered with the aid of the Monte-Carlo transport code THOR.

Test particle modeling of wave-induced energetic electron precipitation

International Nuclear Information System (INIS)

Chang, H.C.; Inan, U.S.

1985-01-01

A test particle computer model of the precipitation of radiation belt electrons is extended to compute the dynamic energy spectrum of transient electron fluxes induced by short-duration VLF wave packets traveling along the geomagnetic field lines. The model is adapted to estimate the count rate and associated spectrum of precipitated electrons that would be observed by satellite-based particle detectors with given geometric factor and orientation with respect to the magnetic field. A constant-frequency wave pulse and a lightning-induced whistler wave packet are used as examples of the stimulating wave signals. The effects of asymmetry of particle mirror heights in the two hemispheres and the atmospheric backscatter of loss cone particles on the computed precipitated fluxes are discussed

SLS Navigation Model-Based Design Approach

Science.gov (United States)

Oliver, T. Emerson; Anzalone, Evan; Geohagan, Kevin; Bernard, Bill; Park, Thomas

2018-01-01

The SLS Program chose to implement a Model-based Design and Model-based Requirements approach for managing component design information and system requirements. This approach differs from previous large-scale design efforts at Marshall Space Flight Center where design documentation alone conveyed information required for vehicle design and analysis and where extensive requirements sets were used to scope and constrain the design. The SLS Navigation Team has been responsible for the Program-controlled Design Math Models (DMMs) which describe and represent the performance of the Inertial Navigation System (INS) and the Rate Gyro Assemblies (RGAs) used by Guidance, Navigation, and Controls (GN&C). The SLS Navigation Team is also responsible for the navigation algorithms. The navigation algorithms are delivered for implementation on the flight hardware as a DMM. For the SLS Block 1-B design, the additional GPS Receiver hardware is managed as a DMM at the vehicle design level. This paper provides a discussion of the processes and methods used to engineer, design, and coordinate engineering trades and performance assessments using SLS practices as applied to the GN&C system, with a particular focus on the Navigation components. These include composing system requirements, requirements verification, model development, model verification and validation, and modeling and analysis approaches. The Model-based Design and Requirements approach does not reduce the effort associated with the design process versus previous processes used at Marshall Space Flight Center. Instead, the approach takes advantage of overlap between the requirements development and management process, and the design and analysis process by efficiently combining the control (i.e. the requirement) and the design mechanisms. The design mechanism is the representation of the component behavior and performance in design and analysis tools. The focus in the early design process shifts from the development and

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.

Laser ablation under different electron heat conduction models in inertial confinement fusion

Science.gov (United States)

Li, Shuanggui; Ren, Guoli; Huo, Wen Yi

2018-06-01

In this paper, we study the influence of three different electron heat conduction models on the laser ablation of gold plane target. Different from previous studies, we concentrate on the plasma conditions, the conversion efficiency from laser into soft x rays and the scaling relation of mass ablation, which are relevant to hohlraum physics study in indirect drive inertial confinement fusion. We find that the simulated electron temperature in corona region is sensitive to the electron heat conduction models. For different electron heat conduction models, there are obvious differences in magnitude and spatial profile of electron temperature. For the flux limit model, the calculated conversion efficiency is sensitive to flux limiters. In the laser ablation of gold, most of the laser energies are converted into x rays. So the scaling relation of mass ablation rate is quite different from that of low Z materials.

A multi water bag model of drift kinetic electron plasma

International Nuclear Information System (INIS)

Morel, P.; Dreydemy Ghiro, F.; Berionni, V.; Gurcan, O.D.; Coulette, D.; Besse, N.

2014-01-01

A Multi Water Bag model is proposed for describing drift kinetic plasmas in a magnetized cylindrical geometry, relevant for various experimental devices, solar wind modeling... The Multi Water Bag (MWB) model is adapted to the description of a plasma with kinetic electrons as well as an arbitrary number of kinetic ions. This allows to describe the kinetic dynamics of the electrons, making possible the study of electron temperature gradient (ETG) modes, in addition to the effects of non adiabatic electrons on the ion temperature gradient (ITG) modes, that are of prime importance in the magnetized plasmas micro-turbulence [X. Garbet, Y. Idomura, L. Villard, T.H. Watanabe, Nucl. Fusion 50, 043002 (2010); J.A. Krommes, Ann. Rev. Fluid Mech. 44, 175 (2012)]. The MWB model is shown to link kinetic and fluid descriptions, depending on the number of bags considered. Linear stability of the ETG modes is presented and compared to the existing results regarding cylindrical ITG modes [P. Morel, E. Gravier, N. Besse, R. Klein, A. Ghizzo, P. Bertrand, W. Garbet, Ph. Ghendrih, V. Grandgirard, Y. Sarazin, Phys. Plasmas 14, 112109 (2007)]. (authors)

Model potentials in liquid water ionization by fast electron impact

International Nuclear Information System (INIS)

De Sanctis, M L; Stia, C R; Fojón, O A; Politis, M-F; Vuilleumier, R

2015-01-01

We study the ionization of water molecules in liquid phase by fast electron impact. We use our previous first-order model within an independent electron approximation that allows the reduction of the multielectronic problem into a monoelectronic one. The initial molecular states of the liquid water are represented in a realistic way through a Wannier orbital formalism. We complete our previous study by taking into account approximately the influence of the passive electrons of the target by means of different model potentials. We compute multiple differential cross sections for the most external orbital 1B 1 and compare them with other results

Accounting for misclassification in electronic health records-derived exposures using generalized linear finite mixture models.

Science.gov (United States)

Hubbard, Rebecca A; Johnson, Eric; Chubak, Jessica; Wernli, Karen J; Kamineni, Aruna; Bogart, Andy; Rutter, Carolyn M

2017-06-01

Exposures derived from electronic health records (EHR) may be misclassified, leading to biased estimates of their association with outcomes of interest. An example of this problem arises in the context of cancer screening where test indication, the purpose for which a test was performed, is often unavailable. This poses a challenge to understanding the effectiveness of screening tests because estimates of screening test effectiveness are biased if some diagnostic tests are misclassified as screening. Prediction models have been developed for a variety of exposure variables that can be derived from EHR, but no previous research has investigated appropriate methods for obtaining unbiased association estimates using these predicted probabilities. The full likelihood incorporating information on both the predicted probability of exposure-class membership and the association between the exposure and outcome of interest can be expressed using a finite mixture model. When the regression model of interest is a generalized linear model (GLM), the expectation-maximization algorithm can be used to estimate the parameters using standard software for GLMs. Using simulation studies, we compared the bias and efficiency of this mixture model approach to alternative approaches including multiple imputation and dichotomization of the predicted probabilities to create a proxy for the missing predictor. The mixture model was the only approach that was unbiased across all scenarios investigated. Finally, we explored the performance of these alternatives in a study of colorectal cancer screening with colonoscopy. These findings have broad applicability in studies using EHR data where gold-standard exposures are unavailable and prediction models have been developed for estimating proxies.

A model-based prognostic approach to predict interconnect failure using impedance analysis

Energy Technology Data Exchange (ETDEWEB)

Kwon, Dae Il; Yoon, Jeong Ah [Dept. of System Design and Control Engineering. Ulsan National Institute of Science and Technology, Ulsan (Korea, Republic of)

2016-10-15

The reliability of electronic assemblies is largely affected by the health of interconnects, such as solder joints, which provide mechanical, electrical and thermal connections between circuit components. During field lifecycle conditions, interconnects are often subjected to a DC open circuit, one of the most common interconnect failure modes, due to cracking. An interconnect damaged by cracking is sometimes extremely hard to detect when it is a part of a daisy-chain structure, neighboring with other healthy interconnects that have not yet cracked. This cracked interconnect may seem to provide a good electrical contact due to the compressive load applied by the neighboring healthy interconnects, but it can cause the occasional loss of electrical continuity under operational and environmental loading conditions in field applications. Thus, cracked interconnects can lead to the intermittent failure of electronic assemblies and eventually to permanent failure of the product or the system. This paper introduces a model-based prognostic approach to quantitatively detect and predict interconnect failure using impedance analysis and particle filtering. Impedance analysis was previously reported as a sensitive means of detecting incipient changes at the surface of interconnects, such as cracking, based on the continuous monitoring of RF impedance. To predict the time to failure, particle filtering was used as a prognostic approach using the Paris model to address the fatigue crack growth. To validate this approach, mechanical fatigue tests were conducted with continuous monitoring of RF impedance while degrading the solder joints under test due to fatigue cracking. The test results showed the RF impedance consistently increased as the solder joints were degraded due to the growth of cracks, and particle filtering predicted the time to failure of the interconnects similarly to their actual timesto- failure based on the early sensitivity of RF impedance.

Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

International Nuclear Information System (INIS)

Pask, J.E.; Klein, B.M.; Fong, C.Y.; Sterne, P.A.

1999-01-01

We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including electronic band structures and details of the convergence of the method. copyright 1999 The American Physical Society

Electron scattering in the interacting boson model

NARCIS (Netherlands)

Dieperink, AEL; Iachello, F; Rinat, A; Creswell, C

1978-01-01

It is suggested that the interacting boson model be used in the analysis of electron scattering data. Qualitative features of the expected behavior of the inelastic excitation of some 2 ÷ states inthe transitional Sm-Nd region are discussed

A multi-band, multi-level, multi-electron model for efficient FDTD simulations of electromagnetic interactions with semiconductor quantum wells

Science.gov (United States)

Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

2015-08-01

We report a new computational model for simulations of electromagnetic interactions with semiconductor quantum well(s) (SQW) in complex electromagnetic geometries using the finite-difference time-domain method. The presented model is based on an approach of spanning a large number of electron transverse momentum states in each SQW sub-band (multi-band) with a small number of discrete multi-electron states (multi-level, multi-electron). This enables accurate and efficient two-dimensional (2-D) and three-dimensional (3-D) simulations of nanophotonic devices with SQW active media. The model includes the following features: (1) Optically induced interband transitions between various SQW conduction and heavy-hole or light-hole sub-bands are considered. (2) Novel intra sub-band and inter sub-band transition terms are derived to thermalize the electron and hole occupational distributions to the correct Fermi-Dirac distributions. (3) The terms in (2) result in an explicit update scheme which circumvents numerically cumbersome iterative procedures. This significantly augments computational efficiency. (4) Explicit update terms to account for carrier leakage to unconfined states are derived, which thermalize the bulk and SQW populations to a common quasi-equilibrium Fermi-Dirac distribution. (5) Auger recombination and intervalence band absorption are included. The model is validated by comparisons to analytic band-filling calculations, simulations of SQW optical gain spectra, and photonic crystal lasers.

Model-independent quantitative measurement of nanomechanical oscillator vibrations using electron-microscope linescans

Energy Technology Data Exchange (ETDEWEB)

Wang, Huan; Fenton, J. C.; Chiatti, O. [London Centre for Nanotechnology, University College London, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Warburton, P. A. [London Centre for Nanotechnology, University College London, 17–19 Gordon Street, London WC1H 0AH (United Kingdom); Department of Electronic and Electrical Engineering, University College London, Torrington Place, London WC1E 7JE (United Kingdom)

2013-07-15

Nanoscale mechanical resonators are highly sensitive devices and, therefore, for application as highly sensitive mass balances, they are potentially superior to micromachined cantilevers. The absolute measurement of nanoscale displacements of such resonators remains a challenge, however, since the optical signal reflected from a cantilever whose dimensions are sub-wavelength is at best very weak. We describe a technique for quantitative analysis and fitting of scanning-electron microscope (SEM) linescans across a cantilever resonator, involving deconvolution from the vibrating resonator profile using the stationary resonator profile. This enables determination of the absolute amplitude of nanomechanical cantilever oscillations even when the oscillation amplitude is much smaller than the cantilever width. This technique is independent of any model of secondary-electron emission from the resonator and is, therefore, applicable to resonators with arbitrary geometry and material inhomogeneity. We demonstrate the technique using focussed-ion-beam–deposited tungsten cantilevers of radius ∼60–170 nm inside a field-emission SEM, with excitation of the cantilever by a piezoelectric actuator allowing measurement of the full frequency response. Oscillation amplitudes approaching the size of the primary electron-beam can be resolved. We further show that the optimum electron-beam scan speed is determined by a compromise between deflection of the cantilever at low scan speeds and limited spatial resolution at high scan speeds. Our technique will be an important tool for use in precise characterization of nanomechanical resonator devices.

Interplay between electron-phonon and electron-electron interactions

International Nuclear Information System (INIS)

Roesch, O.; Gunnarsson, O.; Han, J.E.; Crespi, V.H.

2005-01-01

We discuss the interplay between electron-electron and electron-phonon interactions for alkali-doped fullerides and high temperature superconductors. Due to the similarity of the electron and phonon energy scales, retardation effects are small for fullerides. This raises questions about the origin of superconductivity, since retardation effects are believed to be crucial for reducing effects of the Coulomb repulsion in conventional superconductors. We demonstrate that by treating the electron-electron and electron-phonon interactions on an equal footing, superconductivity can be understood in terms of a local pairing. The Jahn-Teller character of the important phonons in fullerides plays a crucial role for this result. To describe effects of phonons in cuprates, we derive a t-J model with phonons from the three-band model. Using exact diagonalization for small clusters, we find that the anomalous softening of the half-breathing phonon as well as its doping dependence can be explained. By comparing the solution of the t-J model with the Hartree-Fock approximation for the three-band model, we address results obtained in the local-density approximation for cuprates. We find that genuine many-body results, due to the interplay between the electron-electron and electron-phonon interactions, play an important role for the the results in the t-J model. (copyright 2005 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Nonextensive statistical mechanics approach to electron trapping in degenerate plasmas

Science.gov (United States)

Mebrouk, Khireddine; Gougam, Leila Ait; Tribeche, Mouloud

2016-06-01

The electron trapping in a weakly nondegenerate plasma is reformulated and re-examined by incorporating the nonextensive entropy prescription. Using the q-deformed Fermi-Dirac distribution function including the quantum as well as the nonextensive statistical effects, we derive a new generalized electron density with a new contribution proportional to the electron temperature T, which may dominate the usual thermal correction (∼T2) at very low temperatures. To make the physics behind the effect of this new contribution more transparent, we analyze the modifications arising in the propagation of ion-acoustic solitary waves. Interestingly, we find that due to the nonextensive correction, our plasma model allows the possibility of existence of quantum ion-acoustic solitons with velocity higher than the Fermi ion-sound velocity. Moreover, as the nonextensive parameter q increases, the critical temperature Tc beyond which coexistence of compressive and rarefactive solitons sets in, is shifted towards higher values.

Power Electronic Packaging Design, Assembly Process, Reliability and Modeling

CERN Document Server

Liu, Yong

2012-01-01

Power Electronic Packaging presents an in-depth overview of power electronic packaging design, assembly,reliability and modeling. Since there is a drastic difference between IC fabrication and power electronic packaging, the book systematically introduces typical power electronic packaging design, assembly, reliability and failure analysis and material selection so readers can clearly understand each task's unique characteristics. Power electronic packaging is one of the fastest growing segments in the power electronic industry, due to the rapid growth of power integrated circuit (IC) fabrication, especially for applications like portable, consumer, home, computing and automotive electronics. This book also covers how advances in both semiconductor content and power advanced package design have helped cause advances in power device capability in recent years. The author extrapolates the most recent trends in the book's areas of focus to highlight where further improvement in materials and techniques can d...

Evolutionary modeling-based approach for model errors correction

Directory of Open Access Journals (Sweden)

S. Q. Wan

2012-08-01

Full Text Available The inverse problem of using the information of historical data to estimate model errors is one of the science frontier research topics. In this study, we investigate such a problem using the classic Lorenz (1963 equation as a prediction model and the Lorenz equation with a periodic evolutionary function as an accurate representation of reality to generate "observational data."

On the basis of the intelligent features of evolutionary modeling (EM, including self-organization, self-adaptive and self-learning, the dynamic information contained in the historical data can be identified and extracted by computer automatically. Thereby, a new approach is proposed to estimate model errors based on EM in the present paper. Numerical tests demonstrate the ability of the new approach to correct model structural errors. In fact, it can actualize the combination of the statistics and dynamics to certain extent.

Hot electrons and the approach to metallic behavior in Kx(KCl)1-x

NARCIS (Netherlands)

Silvestrelli, P.L.; Alavi, A.; Parrinello, M.; Frenkel, D.

1996-01-01

The approach to the metallic phase of molten Kx(KCl)1-x mixtures is studied using ab initio molecular dynamics based on finite-temperature density functional theory. The finite electronic temperature is found to result in new and unexpected effects. In particular, we observe a thermally induced

Modelling of pathologies of the nervous system by the example of computational and electronic models of elementary nervous systems

Energy Technology Data Exchange (ETDEWEB)

Shumilov, V. N., E-mail: vnshumilov@rambler.ru; Syryamkin, V. I., E-mail: maximus70sir@gmail.com; Syryamkin, M. V., E-mail: maximus70sir@gmail.com [National Research Tomsk State University, 634050, Tomsk, Lenin Avenue, 36 (Russian Federation)

2015-11-17

The paper puts forward principles of action of devices operating similarly to the nervous system and the brain of biological systems. We propose an alternative method of studying diseases of the nervous system, which may significantly influence prevention, medical treatment, or at least retardation of development of these diseases. This alternative is to use computational and electronic models of the nervous system. Within this approach, we represent the brain in the form of a huge electrical circuit composed of active units, namely, neuron-like units and connections between them. As a result, we created computational and electronic models of elementary nervous systems, which are based on the principles of functioning of biological nervous systems that we have put forward. Our models demonstrate reactions to external stimuli and their change similarly to the behavior of simplest biological organisms. The models possess the ability of self-training and retraining in real time without human intervention and switching operation/training modes. In our models, training and memorization take place constantly under the influence of stimuli on the organism. Training is without any interruption and switching operation modes. Training and formation of new reflexes occur by means of formation of new connections between excited neurons, between which formation of connections is physically possible. Connections are formed without external influence. They are formed under the influence of local causes. Connections are formed between outputs and inputs of two neurons, when the difference between output and input potentials of excited neurons exceeds a value sufficient to form a new connection. On these grounds, we suggest that the proposed principles truly reflect mechanisms of functioning of biological nervous systems and the brain. In order to confirm the correspondence of the proposed principles to biological nature, we carry out experiments for the study of processes of

Modelling of pathologies of the nervous system by the example of computational and electronic models of elementary nervous systems

International Nuclear Information System (INIS)

Shumilov, V. N.; Syryamkin, V. I.; Syryamkin, M. V.

2015-01-01

The paper puts forward principles of action of devices operating similarly to the nervous system and the brain of biological systems. We propose an alternative method of studying diseases of the nervous system, which may significantly influence prevention, medical treatment, or at least retardation of development of these diseases. This alternative is to use computational and electronic models of the nervous system. Within this approach, we represent the brain in the form of a huge electrical circuit composed of active units, namely, neuron-like units and connections between them. As a result, we created computational and electronic models of elementary nervous systems, which are based on the principles of functioning of biological nervous systems that we have put forward. Our models demonstrate reactions to external stimuli and their change similarly to the behavior of simplest biological organisms. The models possess the ability of self-training and retraining in real time without human intervention and switching operation/training modes. In our models, training and memorization take place constantly under the influence of stimuli on the organism. Training is without any interruption and switching operation modes. Training and formation of new reflexes occur by means of formation of new connections between excited neurons, between which formation of connections is physically possible. Connections are formed without external influence. They are formed under the influence of local causes. Connections are formed between outputs and inputs of two neurons, when the difference between output and input potentials of excited neurons exceeds a value sufficient to form a new connection. On these grounds, we suggest that the proposed principles truly reflect mechanisms of functioning of biological nervous systems and the brain. In order to confirm the correspondence of the proposed principles to biological nature, we carry out experiments for the study of processes of

Electron scattering in the interacting boson model

International Nuclear Information System (INIS)

Dieperink, A.E.L.; Iachello, F.; Creswell, C.

1978-01-01

It is suggested that the interacting boson model be used in the analysis of electron scattering data. Qualitative features of the expected behavior of the inelastic excitation of some 2 + states in the transitional Sm-Nd region are discussed. (Auth.)

Electronic transport coefficients in plasmas using an effective energy-dependent electron-ion collision-frequency

Science.gov (United States)

Faussurier, G.; Blancard, C.; Combis, P.; Decoster, A.; Videau, L.

2017-10-01

We present a model to calculate the electrical and thermal electronic conductivities in plasmas using the Chester-Thellung-Kubo-Greenwood approach coupled with the Kramers approximation. The divergence in photon energy at low values is eliminated using a regularization scheme with an effective energy-dependent electron-ion collision-frequency. Doing so, we interpolate smoothly between the Drude-like and the Spitzer-like regularizations. The model still satisfies the well-known sum rule over the electrical conductivity. Such kind of approximation is also naturally extended to the average-atom model. A particular attention is paid to the Lorenz number. Its nondegenerate and degenerate limits are given and the transition towards the Drude-like limit is proved in the Kramers approximation.

Femtosecond-laser induced dynamics of CO on Ru(0001): Deep insights from a hot-electron friction model including surface motion

Science.gov (United States)

Scholz, Robert; Floß, Gereon; Saalfrank, Peter; Füchsel, Gernot; Lončarić, Ivor; Juaristi, J. I.

2016-10-01

A Langevin model accounting for all six molecular degrees of freedom is applied to femtosecond-laser induced, hot-electron driven dynamics of Ru(0001)(2 ×2 ):CO. In our molecular dynamics with electronic friction approach, a recently developed potential energy surface based on gradient-corrected density functional theory accounting for van der Waals interactions is adopted. Electronic friction due to the coupling of molecular degrees of freedom to electron-hole pairs in the metal are included via a local density friction approximation, and surface phonons by a generalized Langevin oscillator model. The action of ultrashort laser pulses enters through a substrate-mediated, hot-electron mechanism via a time-dependent electronic temperature (derived from a two-temperature model), causing random forces acting on the molecule. The model is applied to laser induced lateral diffusion of CO on the surface, "hot adsorbate" formation, and laser induced desorption. Reaction probabilities are strongly enhanced compared to purely thermal processes, both for diffusion and desorption. Reaction yields depend in a characteristic (nonlinear) fashion on the applied laser fluence, as well as branching ratios for various reaction channels. Computed two-pulse correlation traces for desorption and other indicators suggest that aside from electron-hole pairs, phonons play a non-negligible role for laser induced dynamics in this system, acting on a surprisingly short time scale. Our simulations on precomputed potentials allow for good statistics and the treatment of long-time dynamics (300 ps), giving insight into this system which hitherto has not been reached. We find generally good agreement with experimental data where available and make predictions in addition. A recently proposed laser induced population of physisorbed precursor states could not be observed with the present low-coverage model.

HEDR modeling approach

International Nuclear Information System (INIS)

Shipler, D.B.; Napier, B.A.

1992-07-01

This report details the conceptual approaches to be used in calculating radiation doses to individuals throughout the various periods of operations at the Hanford Site. The report considers the major environmental transport pathways--atmospheric, surface water, and ground water--and projects and appropriate modeling technique for each. The modeling sequence chosen for each pathway depends on the available data on doses, the degree of confidence justified by such existing data, and the level of sophistication deemed appropriate for the particular pathway and time period being considered

Linear-algebraic approach to electron-molecule collisions: General formulation

International Nuclear Information System (INIS)

Collins, L.A.; Schneider, B.I.

1981-01-01

We present a linear-algebraic approach to electron-molecule collisions based on an integral equations form with either logarithmic or asymptotic boundary conditions. The introduction of exchange effects does not alter the basic form or order of the linear-algebraic equations for a local potential. In addition to the standard procedure of directly evaluating the exchange integrals by numerical quadrature, we also incorporate exchange effects through a separable-potential approximation. Efficient schemes are developed for reducing the number of points and channels that must be included. The method is applied at the static-exchange level to a number of molecular systems including H 2 , N 2 , LiH, and CO 2

A model for electron currents near a field null

International Nuclear Information System (INIS)

Stark, R.A.; Miley, G.H.

1987-01-01

The fluid approximation is invalid near a field null, since the local electron orbit size and the magnetic scale length are comparable. To model the electron currents in this region we propose a single equation of motion describing the bulk electron dynamics. The equation applies to the plasma within one thermal orbit size of the null. The region is treated as unmagnetized; electrons are accelerated by the inductive electric field and drag on ions; damping is provided by viscosity due to electrons and collisions with ions. Through variational calculations and a particle tracking code for electrons, the size of the terms in the equation of motion have been estimated. The resulting equation of motion combines with Faraday's Law to produce a governing equation which implicitly contains the self inductive field of the electrons. This governing equation predicts that viscosity prevents complete cancellation of the ion current density by the electrons in the null region. Thus electron dynamics near the field null should not prevent the formation and deepening of field reversal using neutral-beam injection

A new approach in the development of quality management systems for (micro)electronics

Science.gov (United States)

Bacivarov, Ioan C.; Bacivarov, Angelica; Gherghina, Cǎtǎlina

2016-12-01

This paper presents the new approach in the analysis of the Quality Management Systems (QMS) of companies, based on the revised standard ISO 9001:2015. In the first part of the paper, QMS based on ISO 9001 certification are introduced; the changes and the updates proposed for the new version of ISO 9001:2015 are critically analyzed, based on the documents elaborated by ISO/TC 176. The approach based on ISO 9001:2015 could be considered as "beginning of a new era in development of quality management systems". A comparison between the between the "old" standard ISO 9001:2008 and the "new" standard ISO 9001:2015 is made. In the second part of the paper, steps to be followed in a company to implement this new standard are presented. A peculiar attention is given to the new concept of risk-based thinking in order to support and improve application of the process based approach. The authors conclude that, by considering risk throughout the organization the likelihood of achieving stated objectives is improved, output is more consistent and customers can be confident that they will receive the expected results. Finally, the benefits of the new approach in the development of quality management systems are outlined, as well as how they are reflected in the management of companies in general and those in electronics field, in particular. As demonstrated in this paper, well understood and properly applied, the new approach based on the revised standard ISO9001:2015 could offer a better quality management for companies operating in electronics and beyond.

On the Scattering of the Electron off the Hydrogen Atom and the Helium Ion Below and Above the Ionization Threshold: Temkin–Poet Model

International Nuclear Information System (INIS)

Yarevsky, E.; Yakovlev, S. L.; Volkov, M. V.; Elander, N.

2014-01-01

We generalize here the splitting approach to the long range (Coulomb) interaction for the three body scattering problem. With this approach, the exterior complex rotation technique can be applied for systems with asymptotic Coulomb interaction. We illustrate the method with calculations of the electron scattering on the hydrogen atom and positive helium ion in the frame of the Temkin–Poet model. (author)

On the Scattering of the Electron off the Hydrogen Atom and the Helium Ion Below and Above the Ionization Threshold: Temkin-Poet Model

Science.gov (United States)

Yarevsky, E.; Yakovlev, S. L.; Elander, N.; Volkov, M. V.

2014-08-01

We generalize here the splitting approach to the long range (Coulomb) interaction for the three body scattering problem. With this approach, the exterior complex rotation technique can be applied for systems with asymptotic Coulomb interaction. We illustrate the method with calculations of the electron scattering on the hydrogen atom and positive helium ion in the frame of the Temkin-Poet model.

Modeling the electron-proton telescope on Solar Orbiter

Energy Technology Data Exchange (ETDEWEB)

Boden, Sebastian; Steinhagen, Jan; Kulkarni, S.R.; Tammen, Jan; Elftmann, Robert; Martin, Cesar; Ravanbakhsh, Ali; Boettcher, Stephan; Seimetz, Lars; Wimmer-Schweingruber, Robert F. [Christian-Albrechts-Universitaet, Kiel (Germany)

2014-07-01

The Electron Proton Telescope (EPT) is one of four sensors in the Energetic Particle Detector suite for Solar Orbiter. It investigates low energy electrons and protons of solar events in an energy range from 20 - 400 keV for electrons and 20 keV - 7 MeV for protons. It distinguishes electrons from protons using a magnet/foil technique with silicon detectors. There will be two EPT units, each with double-barreled telescopes, one looking sunwards/antisunwards and the other north/south. We set up a Monte Carlo model of EPT using the GEANT4 framework, which we can use to simulate interactions of energetic particles in the sensor. Here we present simulation results of the energy coverage for different ion species, and we study how it is possible to distinguish between them.

Two-point model for electron transport in EBT

International Nuclear Information System (INIS)

Chiu, S.C.; Guest, G.E.

1980-01-01

The electron transport in EBT is simulated by a two-point model corresponding to the central plasma and the edge. The central plasma is assumed to obey neoclassical collisionless transport. The edge plasma is assumed turbulent and modeled by Bohm diffusion. The steady-state temperatures and densities in both regions are obtained as functions of neutral influx and microwave power. It is found that as the neutral influx decreases and power increases, the edge density decreases while the core density increases. We conclude that if ring instability is responsible for the T-M mode transition, and if stability is correlated with cold electron density at the edge, it will depend sensitively on ambient gas pressure and microwave power

Magnetic Electron Filtering by Fluid Models for the PEGASES Thruster

Science.gov (United States)

Leray, Gary; Chabert, Pascal; Lichtenberg, Allan; Lieberman, Michael

2009-10-01

The PEGASES thruster produces thrust by creating positive and negative ions, which are then accelerated. To accelerate both type of ions, electrons need to be filtered, which is achieved by applying a static magnetic field strong enough to magnetize the electrons but not the ions. A 1D fluid model with three species (electrons, positive and negative ions) and an analytical model are proposed to understand this process for an oxygen plasma with p = 10 mTorr and B0 = 300 G [1]. The resulting ion-ion plasma formation in the transverse direction (perpendicular to the magnetic field) is demonstrated. It is shown that an additional electron/positive ion loss term is required. The solutions are evaluated for two main parameters: the ionizing fraction at the plasma center (x = 0), ne0/ng, and the electronegativity ratio at the center, α0=nn0/ne0. The effect of geometry and magnetic field amplitude are also discussed. [4pt] [1] Leray G, Chabert P, Lichtenberg A J and Lieberman M A, J. Phys. D: Appl. Phys., Plasma Modelling Cluster issue, to appear (2009)

Determination of Non-Maxwellian Electron Energy Distributions in Low-Pressure Plasmas by Using the Optical Emission Spectroscopy and a Collisional-Radiative Model

International Nuclear Information System (INIS)

Zhu Ximing; Pu Yikang

2011-01-01

A Maxwellian electron energy distribution function (EEDF) is often assumed when using the optical emission line-ratio method to determine the electron temperature in low-temperature plasmas. However, in many cases, non-Maxwellian EEDFs can be formed due to the non-local electron heating or the inelastic-collisional energy loss processes. In this work, with a collisional-radiative model, we propose an approach to obtain the non-Maxwellian EEDF with a 'two-temperature structure' from the emission line-ratios of Paschen 2p levels of argon and krypton atoms. For applications of this approach in reactive gas (CF 4 , O 2 , etc) discharges that contain argon and krypton, recommendations of some specific emission line-ratios are provided, according to their sensitivities to the EEDF variation. The kinetic processes of the relevant excited atoms are also discussed in detail. (cai awardee's article)

A theoretical model on surface electronic behavior: Strain effect

International Nuclear Information System (INIS)

Qin, W.G.; Shaw, D.

2009-01-01

Deformation from mechanical loading can affect surface electronic behavior. Surface deformation and electronic behavior can be quantitatively expressed using strain and work function, respectively, and their experimental relationship can be readily determined using the Kelvin probing technique. However, the theoretical correlation between work function and strain has been unclear. This study reports our theoretical exploration, for the first time, of the effect of strain on work function. We propose a simple electrostatic action model by considering the effect of a dislocation on work function of a one-dimensional lattice and further extend this model to the complex conditions for the effect of dislocation density. Based on this model, we established successfully a theoretical correlation between work function and strain.

Global Three-Dimensional Ionospheric Data Assimilation Model Using Ground-based GPS and Radio Occultation Total Electron Content

Science.gov (United States)

Jann-Yenq Liu, Tiger; Lin, Chi-Yen; Matsuo, Tomoko; Lin, Charles C. H.; Tsai, Ho-Fang; Chen, Chao-Yen

2017-04-01

An ionospheric data assimilation approach presented here is based on the Gauss-Markov Kalman filter with International Reference Ionosphere (IRI) as the background model and designed to assimilate the total electron content (TEC) observed from ground-based GPS receivers and space-based radio occultation (RO) of FORMOSAT-3/COSMIC (F3/C) or FORMOSAT-7/COSMIC-2 (F7/C2). The Kalman filter consists of the forecast step according to Gauss-Markov process and measurement update step. Observing System Simulation Experiments (OSSEs) show that the Gauss-Markov Kalman filter procedure can increase the accuracy of the data assimilation analysis over the procedure consisting of the measurement update step alone. Moreover, in comparing to F3/C, the dense F7/C2 RO observation can further increase the model accuracy significantly. Validating the data assimilation results with the vertical TEC in Global Ionosphere Maps and that derived from ground-based GPS measurements, as well as the ionospheric F2-peak height and electron density sounded by ionosondes is also carried out. Both the OSSE results and the observation validations confirm that the developed data assimilation model can be used to reconstruct the three-dimensional electron density in the ionosphere satisfactorily.

A Statistical Approach For Modeling Tropical Cyclones. Synthetic Hurricanes Generator Model

Energy Technology Data Exchange (ETDEWEB)

Pasqualini, Donatella [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-05-11

This manuscript brie y describes a statistical ap- proach to generate synthetic tropical cyclone tracks to be used in risk evaluations. The Synthetic Hur- ricane Generator (SynHurG) model allows model- ing hurricane risk in the United States supporting decision makers and implementations of adaptation strategies to extreme weather. In the literature there are mainly two approaches to model hurricane hazard for risk prediction: deterministic-statistical approaches, where the storm key physical parameters are calculated using physi- cal complex climate models and the tracks are usually determined statistically from historical data; and sta- tistical approaches, where both variables and tracks are estimated stochastically using historical records. SynHurG falls in the second category adopting a pure stochastic approach.

Numerical model of the plasma formation at electron beam welding

Energy Technology Data Exchange (ETDEWEB)

Trushnikov, D. N., E-mail: trdimitr@yandex.ru [The Department for Applied Physics, Perm National Research Polytechnic University, Perm 614990 (Russian Federation); The Department for Welding Production and Technology of Constructional Materials, Perm National Research Polytechnic University, Perm 614990 (Russian Federation); Mladenov, G. M., E-mail: gmmladenov@abv.bg [Institute of Electronics, Bulgarian Academy of Sciences, 72 Tzarigradsko Shose, 1784 Sofia (Bulgaria); Technology Centre of Electron Beam and Plasma Technologies and Techniques, 68-70 Vrania, ap.10, Banishora, 1309 Sofia (Bulgaria)

2015-01-07

The model of plasma formation in the keyhole in liquid metal as well as above the electron beam welding zone is described. The model is based on solution of two equations for the density of electrons and the mean electron energy. The mass transfer of heavy plasma particles (neutral atoms, excited atoms, and ions) is taken into account in the analysis by the diffusion equation for a multicomponent mixture. The electrostatic field is calculated using the Poisson equation. Thermionic electron emission is calculated for the keyhole wall. The ionization intensity of the vapors due to beam electrons and high-energy secondary and backscattered electrons is calibrated using the plasma parameters when there is no polarized collector electrode above the welding zone. The calculated data are in good agreement with experimental data. Results for the plasma parameters for excitation of a non-independent discharge are given. It is shown that there is a need to take into account the effect of a strong electric field near the keyhole walls on electron emission (the Schottky effect) in the calculation of the current for a non-independent discharge (hot cathode gas discharge). The calculated electron drift velocities are much bigger than the velocity at which current instabilities arise. This confirms the hypothesis for ion-acoustic instabilities, observed experimentally in previous research.

Problem Resolution through Electronic Mail: A Five-Step Model.

Science.gov (United States)

Grandgenett, Neal; Grandgenett, Don

2001-01-01

Discusses the use of electronic mail within the general resolution and management of administrative problems and emphasizes the need for careful attention to problem definition and clarity of language. Presents a research-based five-step model for the effective use of electronic mail based on experiences at the University of Nebraska at Omaha.…

A practical approach for electron monitor unit calculation

International Nuclear Information System (INIS)

Choi, David; Patyal, Baldev; Cho, Jongmin; Cheng, Ing Y; Nookala, Prashanth

2009-01-01

Electron monitor unit (MU) calculation requires measured beam data such as the relative output factor (ROF) of a cone, insert correction factor (ICF) and effective source-to-surface distance (ESD). Measuring the beam data to cover all possible clinical cases is not practical for a busy clinic because it takes tremendous time and labor. In this study, we propose a practical approach to reduce the number of data measurements without affecting accuracy. It is based on two findings of dosimetric properties of electron beams. One is that the output ratio of two inserts is independent of the cone used, and the other is that ESD is a function of field size but independent of cone and jaw opening. For the measurements to prove the findings, a parallel plate ion chamber (Markus, PTW 23343) with an electrometer (Cardinal Health 35040) was used. We measured the outputs to determine ROF, ICF and ESD of different energies (5-21 MeV). Measurements were made in a Plastic Water(TM) phantom or in water. Three linear accelerators were used: Siemens MD2 (S/N 2689), Siemens Primus (S/N 3305) and Varian Clinic 21-EX (S/N 1495). With these findings, the number of data set to be measured can be reduced to less than 20% of the data points. (note)

Direct electron transfer: an approach for electrochemical biosensors with higher selectivity and sensitivity

Directory of Open Access Journals (Sweden)

Freire Renato S.

2003-01-01

Full Text Available The most promising approach for the development of electrochemical biosensors is to establish a direct electrical communication between the biomolecules and the electrode surface. This review focuses on advances, directions and strategies in the development of third generation electrochemical biosensors. Subjects covered include a brief description of the fundamentals of the electron transfer phenomenon and amperometric biosensor development (different types and new oriented enzyme immobilization techniques. Special attention is given to different redox enzymes and proteins capable of electrocatalyzing reactions via direct electron transfer. The analytical applications and future trends for third generation biosensors are also presented and discussed.

Application of various FLD modelling approaches

Science.gov (United States)

Banabic, D.; Aretz, H.; Paraianu, L.; Jurco, P.

2005-07-01

This paper focuses on a comparison between different modelling approaches to predict the forming limit diagram (FLD) for sheet metal forming under a linear strain path using the recently introduced orthotropic yield criterion BBC2003 (Banabic D et al 2005 Int. J. Plasticity 21 493-512). The FLD models considered here are a finite element based approach, the well known Marciniak-Kuczynski model, the modified maximum force criterion according to Hora et al (1996 Proc. Numisheet'96 Conf. (Dearborn/Michigan) pp 252-6), Swift's diffuse (Swift H W 1952 J. Mech. Phys. Solids 1 1-18) and Hill's classical localized necking approach (Hill R 1952 J. Mech. Phys. Solids 1 19-30). The FLD of an AA5182-O aluminium sheet alloy has been determined experimentally in order to quantify the predictive capabilities of the models mentioned above.

A Unified Approach to Modeling and Programming

DEFF Research Database (Denmark)

Madsen, Ole Lehrmann; Møller-Pedersen, Birger

2010-01-01

of this paper is to go back to the future and get inspiration from SIMULA and propose a unied approach. In addition to reintroducing the contributions of SIMULA and the Scandinavian approach to object-oriented programming, we do this by discussing a number of issues in modeling and programming and argue3 why we......SIMULA was a language for modeling and programming and provided a unied approach to modeling and programming in contrast to methodologies based on structured analysis and design. The current development seems to be going in the direction of separation of modeling and programming. The goal...

Electronic resource management practical perspectives in a new technical services model

CERN Document Server

Elguindi, Anne

2012-01-01

A significant shift is taking place in libraries, with the purchase of e-resources accounting for the bulk of materials spending. Electronic Resource Management makes the case that technical services workflows need to make a corresponding shift toward e-centric models and highlights the increasing variety of e-formats that are forcing new developments in the field.Six chapters cover key topics, including: technical services models, both past and emerging; staffing and workflow in electronic resource management; implementation and transformation of electronic resource management systems; the ro

Technical note: Comparison of methane ebullition modelling approaches used in terrestrial wetland models

Science.gov (United States)

Peltola, Olli; Raivonen, Maarit; Li, Xuefei; Vesala, Timo

2018-02-01

Emission via bubbling, i.e. ebullition, is one of the main methane (CH4) emission pathways from wetlands to the atmosphere. Direct measurement of gas bubble formation, growth and release in the peat-water matrix is challenging and in consequence these processes are relatively unknown and are coarsely represented in current wetland CH4 emission models. In this study we aimed to evaluate three ebullition modelling approaches and their effect on model performance. This was achieved by implementing the three approaches in one process-based CH4 emission model. All the approaches were based on some kind of threshold: either on CH4 pore water concentration (ECT), pressure (EPT) or free-phase gas volume (EBG) threshold. The model was run using 4 years of data from a boreal sedge fen and the results were compared with eddy covariance measurements of CH4 fluxes.Modelled annual CH4 emissions were largely unaffected by the different ebullition modelling approaches; however, temporal variability in CH4 emissions varied an order of magnitude between the approaches. Hence the ebullition modelling approach drives the temporal variability in modelled CH4 emissions and therefore significantly impacts, for instance, high-frequency (daily scale) model comparison and calibration against measurements. The modelling approach based on the most recent knowledge of the ebullition process (volume threshold, EBG) agreed the best with the measured fluxes (R2 = 0.63) and hence produced the most reasonable results, although there was a scale mismatch between the measurements (ecosystem scale with heterogeneous ebullition locations) and model results (single horizontally homogeneous peat column). The approach should be favoured over the two other more widely used ebullition modelling approaches and researchers are encouraged to implement it into their CH4 emission models.

Classical analog for electronic degrees of freedom in nonadiabatic collision processes

International Nuclear Information System (INIS)

Meyer, H.; Miller, W.H.

1979-01-01

It is shown how a formally exact classical analog can be defined for a finite dimensional (in Hilbert space) quantum mechanical system. This approach is then used to obtain a classical model for the electronic degrees of freedom in a molecular collision system, and the combination of this with the usual classical description of the heavy particle (i.e., nuclear) motion provides a completely classical model for the electronic and heavy particle degrees of freedom. The resulting equations of motion are shown to be equivalent to describing the electronic degrees of freedom by the time-dependent Schroedinger equation, the time dependence arising from the classical motion of the nuclei, the trajectory of which is determined by the quantum mechanical average (i.e., Ehrenfest) force on the nuclei. Quantizing the system via classical S-matrix theory is shown to provide a dynamically consistent description of nonadiabatic collision processes; i.e., different electronic transitions have different heavy particle trajectories and, for example, the total energy of the electronic and heavy particle degrees of freedom is conserved. Application of this classical model for the electronic degrees of freedom (plus classical S-matrix theory) to the two-state model problem shows that the approach provides a good description of the electronic dynamics

Local charge measurement using off-axis electron holography

DEFF Research Database (Denmark)

Beleggia, Marco; Gontard, L.C.; Dunin-Borkowski, R.0E.

2016-01-01

A model-independent approach based on Gauss’ theorem for measuring the local charge in a specimen from an electron-optical phase image recorded using off-axis electron holography was recently proposed. Here, we show that such a charge measurement is reliable when it is applied to determine the to...

Accurate monoenergetic electron parameters of laser wakefield in a bubble model

Science.gov (United States)

Raheli, A.; Rahmatallahpur, S. H.

2012-11-01

A reliable analytical expression for the potential of plasma waves with phase velocities near the speed of light is derived. The presented spheroid cavity model is more consistent than the previous spherical and ellipsoidal model and it explains the mono-energetic electron trajectory more accurately, especially at the relativistic region. As a result, the quasi-mono-energetic electrons output beam interacting with the laser plasma can be more appropriately described with this model.

A unifying probabilistic Bayesian approach to derive electron density from MRI for radiation therapy treatment planning

International Nuclear Information System (INIS)

Gudur, Madhu Sudhan Reddy; Hara, Wendy; Le, Quynh-Thu; Wang, Lei; Xing, Lei; Li, Ruijiang

2014-01-01

MRI significantly improves the accuracy and reliability of target delineation in radiation therapy for certain tumors due to its superior soft tissue contrast compared to CT. A treatment planning process with MRI as the sole imaging modality will eliminate systematic CT/MRI co-registration errors, reduce cost and radiation exposure, and simplify clinical workflow. However, MRI lacks the key electron density information necessary for accurate dose calculation and generating reference images for patient setup. The purpose of this work is to develop a unifying method to derive electron density from standard T1-weighted MRI. We propose to combine both intensity and geometry information into a unifying probabilistic Bayesian framework for electron density mapping. For each voxel, we compute two conditional probability density functions (PDFs) of electron density given its: (1) T1-weighted MRI intensity, and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of the atlas and test patient. The two conditional PDFs containing intensity and geometry information are combined into a unifying posterior PDF, whose mean value corresponds to the optimal electron density value under the mean-square error criterion. We evaluated the algorithm’s accuracy of electron density mapping and its ability to detect bone in the head for eight patients, using an additional patient as the atlas or template. Mean absolute HU error between the estimated and true CT, as well as receiver operating characteristics for bone detection (HU > 200) were calculated. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 126, compared with 139 for deformable registration (p = 2  ×  10 −4 ), 283 for the intensity approach (p = 2  ×  10 −6 ) and 282

System Behavior Models: A Survey of Approaches

Science.gov (United States)

2016-06-01

OF FIGURES Spiral Model .................................................................................................3 Figure 1. Approaches in... spiral model was chosen for researching and structuring this thesis, shown in Figure 1. This approach allowed multiple iterations of source material...applications and refining through iteration. 3 Spiral Model Figure 1. D. SCOPE The research is limited to a literature review, limited

Study of electron-molecule collisions via the finite-element method and R-matrix propagation technique: Model exchange

International Nuclear Information System (INIS)

Abdolsalami, F.; Abdolsalami, M.; Gomez, P.

1994-01-01

We have applied the finite-element method to electron-molecule collisions. All the calculations are done in the body frame within the fixed-nuclei approximation. A model potential, which is added to the static and polarization potential, has been used to represent the exchange effect. The method is applied to electron-H 2 scattering and the eigenphase sums and the cross sections obtained are in very good agreement with the corresponding results from the linear-algebraic approach. Finite-element calculations of the R matrix in the region where the static and exchange interactions are strong, however, has about one-half to one-fourth of the memory requirement of the linear-algebraic technique

Set-Theoretic Approach to Maturity Models

DEFF Research Database (Denmark)

Lasrado, Lester Allan

Despite being widely accepted and applied, maturity models in Information Systems (IS) have been criticized for the lack of theoretical grounding, methodological rigor, empirical validations, and ignorance of multiple and non-linear paths to maturity. This PhD thesis focuses on addressing...... these criticisms by incorporating recent developments in configuration theory, in particular application of set-theoretic approaches. The aim is to show the potential of employing a set-theoretic approach for maturity model research and empirically demonstrating equifinal paths to maturity. Specifically...... methodological guidelines consisting of detailed procedures to systematically apply set theoretic approaches for maturity model research and provides demonstrations of it application on three datasets. The thesis is a collection of six research papers that are written in a sequential manner. The first paper...

The effect of different electrodes on the electronic transmission of benzene junctions: Analytical approach

Energy Technology Data Exchange (ETDEWEB)

Mohebbi, Razie; Seyed-Yazdi, Jamileh, E-mail: j.seyedyazdi@vru.ac.ir

2016-06-01

In this paper we have investigated the electronic transmission of systems electrode–benzene–electrode using the Landauer approach. The effect of different electrodes made of metal (Au) and semiconductors (Si, TiO{sub 2}) is investigated. These three electrodes are compared between them and the results show that the electronic transmission of benzene junctions, when using semiconductor electrodes, is associated to a gap in transmission which is due to the electrodes band gap. As a consequence, a threshold voltage is necessary to obtain conducting channels.

On the value of geometry-based models for left ventricular volumetry in magnetic resonance imaging and electron beam tomography: a Bland-Altman analysis

International Nuclear Information System (INIS)

Reiter, Gert; Reiter, Ursula; Rienmueller, Rainer; Gagarina, Nina; Ryabikin, Alexander

2004-01-01

Objective: Methodological comparison of ellipsoid model-based approaches and Simpson method to evaluate left ventricular volumetric parameters by magnetic resonance (MR) and electron beam tomography (EBT) and analysis of the origin of possible discrepancies. Methods and material: 100 subjects (87 patients, 13 healthy volunteers) were studied in MR in various cardiac views and EBT long axis view to determine left ventricular volumes and masses by applying (rotational) ellipsoid and Simpson model. Observer variation and method agreement was quantified by means of variance component and Bland-Altman analysis. Results: Simpson approach showed smaller observer variability than all ellipsoid approaches. All geometry-based models gave smaller left ventricular volumes than Simpson approach, the bias in mass determination was minimal. Whereas high correlation coefficients (typically 0.85-0.95) for left ventricular volume and mass measurements indicated satisfying correspondence between methods, large 95% limits of agreement made a transfer of results for single subjects between Simpson and ellipsoid approaches difficult and between different geometry-based models almost impossible. Because 95% limits of agreement and observer variability of geometry-based approaches were of equal order, the latter could be identified as main limiting factor of methodological agreement. Conclusion: MR Simpson approach is superior to all ellipsoid model-based approaches, because observer variability is smaller

Determination of equilibrium electron temperature and times using an electron swarm model with BOLSIG+ calculated collision frequencies and rate coefficients

International Nuclear Information System (INIS)

Pusateri, Elise N.; Morris, Heidi E.; Nelson, Eric M.; Ji, Wei

2015-01-01

Electromagnetic pulse (EMP) events produce low-energy conduction electrons from Compton electron or photoelectron ionizations with air. It is important to understand how conduction electrons interact with air in order to accurately predict EMP evolution and propagation. An electron swarm model can be used to monitor the time evolution of conduction electrons in an environment characterized by electric field and pressure. Here a swarm model is developed that is based on the coupled ordinary differential equations (ODEs) described by Higgins et al. (1973), hereinafter HLO. The ODEs characterize the swarm electric field, electron temperature, electron number density, and drift velocity. Important swarm parameters, the momentum transfer collision frequency, energy transfer collision frequency, and ionization rate, are calculated and compared to the previously reported fitted functions given in HLO. These swarm parameters are found using BOLSIG+, a two term Boltzmann solver developed by Hagelaar and Pitchford (2005), which utilizes updated cross sections from the LXcat website created by Pancheshnyi et al. (2012). We validate the swarm model by comparing to experimental effective ionization coefficient data in Dutton (1975) and drift velocity data in Ruiz-Vargas et al. (2010). In addition, we report on electron equilibrium temperatures and times for a uniform electric field of 1 StatV/cm for atmospheric heights from 0 to 40 km. We show that the equilibrium temperature and time are sensitive to the modifications in the collision frequencies and ionization rate based on the updated electron interaction cross sections

Web-EEDF: open source software for modeling the electron dynamics

International Nuclear Information System (INIS)

Janda, M.; Machala, Z.; Morvova, M.; Francek, V.; Lukac, P.

2005-01-01

We present a free software for modeling the electron dynamics in the uniform electric field named Web-EEDF. It uses a Monte Carlo algorithm to calculate electron energy distribution functions (EEDFs) and other plasma parameters in various mixtures. Obtained results are in good agreement with literature. This software represents the first stage in a more complex modeling of plasma chemical processes leading to the decomposition of various air pollutants in electrical discharges at atmospheric pressure (Authors)

Thermomechanical Modeling of Sintered Silver - A Fracture Mechanics-based Approach: Extended Abstract: Preprint

Energy Technology Data Exchange (ETDEWEB)

Paret, Paul P [National Renewable Energy Laboratory (NREL), Golden, CO (United States); DeVoto, Douglas J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Narumanchi, Sreekant V [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

2017-09-01

Sintered silver has proven to be a promising candidate for use as a die-attach and substrate-attach material in automotive power electronics components. It holds promise of greater reliability than lead-based and lead-free solders, especially at higher temperatures (less than 200 degrees Celcius). Accurate predictive lifetime models of sintered silver need to be developed and its failure mechanisms thoroughly characterized before it can be deployed as a die-attach or substrate-attach material in wide-bandgap device-based packages. We present a finite element method (FEM) modeling methodology that can offer greater accuracy in predicting the failure of sintered silver under accelerated thermal cycling. A fracture mechanics-based approach is adopted in the FEM model, and J-integral/thermal cycle values are computed. In this paper, we outline the procedures for obtaining the J-integral/thermal cycle values in a computational model and report on the possible advantage of using these values as modeling parameters in a predictive lifetime model.

Modeling power electronics and interfacing energy conversion systems

CERN Document Server

Simões, Marcelo Godoy

2017-01-01

Discusses the application of mathematical and engineering tools for modeling, simulation and control oriented for energy systems, power electronics and renewable energy. This book builds on the background knowledge of electrical circuits, control of dc/dc converters and inverters, energy conversion and power electronics. The book shows readers how to apply computational methods for multi-domain simulation of energy systems and power electronics engineering problems. Each chapter has a brief introduction on the theoretical background, a description of the problems to be solved, and objectives to be achieved. Block diagrams, electrical circuits, mathematical analysis or computer code are covered. Each chapter concludes with discussions on what should be learned, suggestions for further studies and even some experimental work.

Statistics of excitations in the electron glass model

Science.gov (United States)

Palassini, Matteo

2011-03-01

We study the statistics of elementary excitations in the classical electron glass model of localized electrons interacting via the unscreened Coulomb interaction in the presence of disorder. We reconsider the long-standing puzzle of the exponential suppression of the single-particle density of states near the Fermi level, by measuring accurately the density of states of charged and electron-hole pair excitations via finite temperature Monte Carlo simulation and zero-temperature relaxation. We also investigate the statistics of large charge rearrangements after a perturbation of the system, which may shed some light on the slow relaxation and glassy phenomena recently observed in a variety of Anderson insulators. In collaboration with Martin Goethe.

Reliability metrics extraction for power electronics converter stressed by thermal cycles

DEFF Research Database (Denmark)

Ma, Ke; Choi, Uimin; Blaabjerg, Frede

2017-01-01

Due to the continuous demands for highly reliable and cost-effective power conversion, the quantified reliability performances of the power electronics converter are becoming emerging needs. The existing reliability modelling approaches for the power electronics converter mainly focuses on the pr...... performance of power electronics system. The final predicted results showed good accuracy with much more reliability information compared to the existing approaches, and the quantified reliability correlation to the mission profiles of converter is mathematically established....

Spin delocalization phase transition in a correlated electrons model

International Nuclear Information System (INIS)

Huerta, L.

1990-11-01

In a simplified one-site model for correlated electrons systems we show the existence of a phase transition corresponding to spin delocalization. The system becomes a solvable model and zero-dimensional functional techniques are used. (author). 7 refs, 3 figs

VLSI electronics microstructure science

CERN Document Server

1981-01-01

VLSI Electronics: Microstructure Science, Volume 3 evaluates trends for the future of very large scale integration (VLSI) electronics and the scientific base that supports its development.This book discusses the impact of VLSI on computer architectures; VLSI design and design aid requirements; and design, fabrication, and performance of CCD imagers. The approaches, potential, and progress of ultra-high-speed GaAs VLSI; computer modeling of MOSFETs; and numerical physics of micron-length and submicron-length semiconductor devices are also elaborated. This text likewise covers the optical linewi

A modeling approach for heat conduction and radiation diffusion in plasma-photon mixture in temperature nonequilibrium

Energy Technology Data Exchange (ETDEWEB)

Chang, Chong [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-08-09

We present a simple approach for determining ion, electron, and radiation temperatures of heterogeneous plasma-photon mixtures, in which temperatures depend on both material type and morphology of the mixture. The solution technique is composed of solving ion, electron, and radiation energy equations for both mixed and pure phases of each material in zones containing random mixture and solving pure material energy equations in subdivided zones using interface reconstruction. Application of interface reconstruction is determined by the material configuration in the surrounding zones. In subdivided zones, subzonal inter-material energy exchanges are calculated by heat fluxes across the material interfaces. Inter-material energy exchange in zones with random mixtures is modeled using the length scale and contact surface area models. In those zones, inter-zonal heat flux in each material is determined using the volume fractions.

A modeling approach for heat conduction and radiation diffusion in plasma-photon mixture in temperature nonequilibrium

International Nuclear Information System (INIS)

Chang, Chong

2016-01-01

We present a simple approach for determining ion, electron, and radiation temperatures of heterogeneous plasma-photon mixtures, in which temperatures depend on both material type and morphology of the mixture. The solution technique is composed of solving ion, electron, and radiation energy equations for both mixed and pure phases of each material in zones containing random mixture and solving pure material energy equations in subdivided zones using interface reconstruction. Application of interface reconstruction is determined by the material configuration in the surrounding zones. In subdivided zones, subzonal inter-material energy exchanges are calculated by heat fluxes across the material interfaces. Inter-material energy exchange in zones with random mixtures is modeled using the length scale and contact surface area models. In those zones, inter-zonal heat flux in each material is determined using the volume fractions.

Robust Estimation of Electron Density From Anatomic Magnetic Resonance Imaging of the Brain Using a Unifying Multi-Atlas Approach

Energy Technology Data Exchange (ETDEWEB)

Ren, Shangjie [Tianjin Key Laboratory of Process Measurement and Control, School of Electrical Engineering and Automation, Tianjin University, Tianjin (China); Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States); Hara, Wendy; Wang, Lei; Buyyounouski, Mark K.; Le, Quynh-Thu; Xing, Lei [Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States); Li, Ruijiang, E-mail: rli2@stanford.edu [Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States)

2017-03-15

Purpose: To develop a reliable method to estimate electron density based on anatomic magnetic resonance imaging (MRI) of the brain. Methods and Materials: We proposed a unifying multi-atlas approach for electron density estimation based on standard T1- and T2-weighted MRI. First, a composite atlas was constructed through a voxelwise matching process using multiple atlases, with the goal of mitigating effects of inherent anatomic variations between patients. Next we computed for each voxel 2 kinds of conditional probabilities: (1) electron density given its image intensity on T1- and T2-weighted MR images; and (2) electron density given its spatial location in a reference anatomy, obtained by deformable image registration. These were combined into a unifying posterior probability density function using the Bayesian formalism, which provided the optimal estimates for electron density. We evaluated the method on 10 patients using leave-one-patient-out cross-validation. Receiver operating characteristic analyses for detecting different tissue types were performed. Results: The proposed method significantly reduced the errors in electron density estimation, with a mean absolute Hounsfield unit error of 119, compared with 140 and 144 (P<.0001) using conventional T1-weighted intensity and geometry-based approaches, respectively. For detection of bony anatomy, the proposed method achieved an 89% area under the curve, 86% sensitivity, 88% specificity, and 90% accuracy, which improved upon intensity and geometry-based approaches (area under the curve: 79% and 80%, respectively). Conclusion: The proposed multi-atlas approach provides robust electron density estimation and bone detection based on anatomic MRI. If validated on a larger population, our work could enable the use of MRI as a primary modality for radiation treatment planning.

A Cost-Effective Approach for Migrating Enterprise Electronic Mail Systems

Directory of Open Access Journals (Sweden)

Emmanuel Omojokun

2008-02-01

Full Text Available Electronic mail (E-mail is one of the most utilized application software systems in modern-day organizations. The major messaging application programs used in the enterprise are IBM Lotus Notes also known as Domino, Microsoft Exchange Servers, and Novel GroupWise. For various reasons – such as high cost of maintenance, undeliverable e-mail issue and loss of attachments, companies find it necessary to either migrate to newer versions of their messaging software or to an entirely different software. In either case, the process must be carefully planned, well designed and properly implemented to avoid disaster. In this paper, we present a cost-effective approach for migrating a particular messaging software. The approach was implemented and tested for the migration of GroupWise 5.5 to Exchange Server 2003. We present our success story and lessons learned from the case. A six-week and one-year post migration system-audits indicated that the organization derived several benefits including significant cost savings as a result of this particular approach. Chief information/technology officers and e-mail administrators will benefit immensely from the "best practice" strategy hereby presented.

An empirical model of the high-energy electron environment at Jupiter

Science.gov (United States)

Soria-Santacruz, M.; Garrett, H. B.; Evans, R. W.; Jun, I.; Kim, W.; Paranicas, C.; Drozdov, A.

2016-10-01

We present an empirical model of the energetic electron environment in Jupiter's magnetosphere that we have named the Galileo Interim Radiation Electron Model version-2 (GIRE2) since it is based on Galileo data from the Energetic Particle Detector (EPD). Inside 8RJ, GIRE2 adopts the previously existing model of Divine and Garrett because this region was well sampled by the Pioneer and Voyager spacecraft but poorly covered by Galileo. Outside of 8RJ, the model is based on 10 min averages of Galileo EPD data as well as on measurements from the Geiger Tube Telescope on board the Pioneer spacecraft. In the inner magnetosphere the field configuration is dipolar, while in the outer magnetosphere it presents a disk-like structure. The gradual transition between these two behaviors is centered at about 17RJ. GIRE2 distinguishes between the two different regions characterized by these two magnetic field topologies. Specifically, GIRE2 consists of an inner trapped omnidirectional model between 8 to 17RJ that smoothly joins onto the original Divine and Garrett model inside 8RJ and onto a GIRE2 plasma sheet model at large radial distances. The model provides a complete picture of the high-energy electron environment in the Jovian magnetosphere from ˜1 to 50RJ. The present manuscript describes in great detail the data sets, formulation, and fittings used in the model and provides a discussion of the predicted high-energy electron fluxes as a function of energy and radial distance from the planet.

Challenges and opportunities for integrating lake ecosystem modelling approaches

Science.gov (United States)

Mooij, Wolf M.; Trolle, Dennis; Jeppesen, Erik; Arhonditsis, George; Belolipetsky, Pavel V.; Chitamwebwa, Deonatus B.R.; Degermendzhy, Andrey G.; DeAngelis, Donald L.; Domis, Lisette N. De Senerpont; Downing, Andrea S.; Elliott, J. Alex; Ruberto, Carlos Ruberto; Gaedke, Ursula; Genova, Svetlana N.; Gulati, Ramesh D.; Hakanson, Lars; Hamilton, David P.; Hipsey, Matthew R.; Hoen, Jochem 't; Hulsmann, Stephan; Los, F. Hans; Makler-Pick, Vardit; Petzoldt, Thomas; Prokopkin, Igor G.; Rinke, Karsten; Schep, Sebastiaan A.; Tominaga, Koji; Van Dam, Anne A.; Van Nes, Egbert H.; Wells, Scott A.; Janse, Jan H.

2010-01-01

A large number and wide variety of lake ecosystem models have been developed and published during the past four decades. We identify two challenges for making further progress in this field. One such challenge is to avoid developing more models largely following the concept of others ('reinventing the wheel'). The other challenge is to avoid focusing on only one type of model, while ignoring new and diverse approaches that have become available ('having tunnel vision'). In this paper, we aim at improving the awareness of existing models and knowledge of concurrent approaches in lake ecosystem modelling, without covering all possible model tools and avenues. First, we present a broad variety of modelling approaches. To illustrate these approaches, we give brief descriptions of rather arbitrarily selected sets of specific models. We deal with static models (steady state and regression models), complex dynamic models (CAEDYM, CE-QUAL-W2, Delft 3D-ECO, LakeMab, LakeWeb, MyLake, PCLake, PROTECH, SALMO), structurally dynamic models and minimal dynamic models. We also discuss a group of approaches that could all be classified as individual based: super-individual models (Piscator, Charisma), physiologically structured models, stage-structured models and trait-based models. We briefly mention genetic algorithms, neural networks, Kalman filters and fuzzy logic. Thereafter, we zoom in, as an in-depth example, on the multi-decadal development and application of the lake ecosystem model PCLake and related models (PCLake Metamodel, Lake Shira Model, IPH-TRIM3D-PCLake). In the discussion, we argue that while the historical development of each approach and model is understandable given its 'leading principle', there are many opportunities for combining approaches. We take the point of view that a single 'right' approach does not exist and should not be strived for. Instead, multiple modelling approaches, applied concurrently to a given problem, can help develop an integrative

Models of galaxies - The modal approach

International Nuclear Information System (INIS)

Lin, C.C.; Lowe, S.A.

1990-01-01

The general viability of the modal approach to the spiral structure in normal spirals and the barlike structure in certain barred spirals is discussed. The usefulness of the modal approach in the construction of models of such galaxies is examined, emphasizing the adoption of a model appropriate to observational data for both the spiral structure of a galaxy and its basic mass distribution. 44 refs

Final Report for 'Modeling Electron Cloud Diagnostics for High-Intensity Proton Accelerators'

International Nuclear Information System (INIS)

Veitzer, Seth A.

2009-01-01

Electron clouds in accelerators such as the ILC degrade beam quality and limit operating efficiency. The need to mitigate electron clouds has a direct impact on the design and operation of these accelerators, translating into increased cost and reduced performance. Diagnostic techniques for measuring electron clouds in accelerating cavities are needed to provide an assessment of electron cloud evolution and mitigation. Accurate numerical modeling of these diagnostics is needed to validate the experimental techniques. In this Phase I, we developed detailed numerical models of microwave propagation through electron clouds in accelerating cavities with geometries relevant to existing and future high-intensity proton accelerators such as Project X and the ILC. Our numerical techniques and simulation results from the Phase I showed that there was a high probability of success in measuring both the evolution of electron clouds and the effects of non-uniform electron density distributions in Phase II.

THE DEVELOPMENT OF ELECTRONIC TEACHING MATERIALS BY FLIPBOOK ASSISTANCE BASED PROBLEM SOLVING SKILL WITH CTL APPROACH ON LEARNING MATHEMATICS CLASS V

Directory of Open Access Journals (Sweden)

RUSNILAWATI Eva Gustiana RUSNILAWATI

2018-01-01

Full Text Available The purpose of this research is to produce Flipbook-based Electronic Teaching Materials (BAE based on problem solving skills with CTL Approach on Vocational School Class V learning valid, practical, and effective. This type of research is development research (Development Research. This research developed Flipbook-assisted Electronic Teaching Materials (BAE on the mathematics learning of Class V Primary School by using the 4-D development model developed by Thiagarajan, Semmel, and Semmel. The validation results show that the developed Teaching Materials are worthy of use with a good minimum category. The results of the experiments show that Electronic Materials developed are practical and effective. Completed learning in the classical has reached the minimum criteria of 75% that is for problem-solving test reached 86%. Based on a questionnaire of attitudes toward mathematics, 88% of students showed an increase in attitude scores on mathematics, and 85% of students showed attitudes toward mathematics with a good minimum category.

Electron-impact ionization of oriented molecules using the time-dependent close-coupling approach

Energy Technology Data Exchange (ETDEWEB)

Colgan, J [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Pindzola, M S, E-mail: jcolgan@lanl.gov [Department of Physics, Auburn University, Auburn, AL 36849 (United States)

2011-04-01

An overview is given on recent progress on computing triple differential cross sections for electron-impact ionization of the hydrogen molecule using a time-dependent close-coupling approach. Our calculations, when averaged over all molecular orientations, are generally in very good agreement with (e,2e) measurements made on H{sub 2}, where the molecular orientation is unknown, for a range of incident energies and outgoing electron angles and energies. In this paper, we present TDCS for ionization of H{sub 2} at specific molecular orientations. It is hoped that this study will help stimulate future measurements of TDCS from oriented H{sub 2} at medium impact energies.

Evaporator modeling - A hybrid approach

International Nuclear Information System (INIS)

Ding Xudong; Cai Wenjian; Jia Lei; Wen Changyun

2009-01-01

In this paper, a hybrid modeling approach is proposed to model two-phase flow evaporators. The main procedures for hybrid modeling includes: (1) Based on the energy and material balance, and thermodynamic principles to formulate the process fundamental governing equations; (2) Select input/output (I/O) variables responsible to the system performance which can be measured and controlled; (3) Represent those variables existing in the original equations but are not measurable as simple functions of selected I/Os or constants; (4) Obtaining a single equation which can correlate system inputs and outputs; and (5) Identify unknown parameters by linear or nonlinear least-squares methods. The method takes advantages of both physical and empirical modeling approaches and can accurately predict performance in wide operating range and in real-time, which can significantly reduce the computational burden and increase the prediction accuracy. The model is verified with the experimental data taken from a testing system. The testing results show that the proposed model can predict accurately the performance of the real-time operating evaporator with the maximum error of ±8%. The developed models will have wide applications in operational optimization, performance assessment, fault detection and diagnosis

Problems and Projects Based Approach For Analog Electronic Circuits' Course

Directory of Open Access Journals (Sweden)

Vahé Nerguizian

2009-04-01

Full Text Available New educational methods and approaches are recently introduced and implemented at several North American and European universities using Problems and Projects Based Approach (PPBA. The PPBA employs a teaching technique based mostly on competences/skills rather than only on knowledge. This method has been implemented and proven by several pedagogical instructors and authors at several educational institutions. This approach is used at different disciplines such as medicine, biology, engineering and many others. It has the advantage to improve the student's skills and the knowledge retention rate, and reflects the 21st century industrial/company needs and demands. Before implementing this approach to a course, a good resources preparation and planning is needed upfront by the responsible or instructor of the course to achieve the course and students related objectives. This paper presents the preparation, the generated documentation and the implementation of a pilot project utilizing PPBA education for a second year undergraduate electronic course over a complete semester, and for two different class groups (morning and evening groups. The outcome of this project (achieved goals, observed difficulties and lessons learned is presented based on different tools such as students 'in class' communication and feedback, different course evaluation forms and the professor/instructor feedback. Resources, challenges, difficulties and recommendations are also assessed and presented. The impact, the effect and the results (during and at the end of the academic fall session of the PPBA on students and instructor are discussed, validated, managed and communicated to help other instructor in taking appropriate approach decisions with respect to this new educational approach compared to the classical one.

The Adoption and Diffusion of Electronic Wallets

OpenAIRE

Jean-Michel Sahut

2008-01-01

Despite the strong and consistent increase in the use of electronic payment methods worldwide, the diffusion of electronic wallets is still far from widespread. Analysis of the failure of electronic wallet uptake has either focused on technical issues or chosen to analyse a specific scheme. This article proposes a joint approach to analysing key factors affecting the adoption of e-wallets by using the 'Technology Acceptance Model" [1] which we have expanded to take into a...

A User-Centered Approach to Adaptive Hypertext Based on an Information Relevance Model

Science.gov (United States)

Mathe, Nathalie; Chen, James

1994-01-01

Rapid and effective to information in large electronic documentation systems can be facilitated if information relevant in an individual user's content can be automatically supplied to this user. However most of this knowledge on contextual relevance is not found within the contents of documents, it is rather established incrementally by users during information access. We propose a new model for interactively learning contextual relevance during information retrieval, and incrementally adapting retrieved information to individual user profiles. The model, called a relevance network, records the relevance of references based on user feedback for specific queries and user profiles. It also generalizes such knowledge to later derive relevant references for similar queries and profiles. The relevance network lets users filter information by context of relevance. Compared to other approaches, it does not require any prior knowledge nor training. More importantly, our approach to adaptivity is user-centered. It facilitates acceptance and understanding by users by giving them shared control over the adaptation without disturbing their primary task. Users easily control when to adapt and when to use the adapted system. Lastly, the model is independent of the particular application used to access information, and supports sharing of adaptations among users.

Theoretical study of electronic and dynamic properties of simple metal clusters in jellium model

International Nuclear Information System (INIS)

El-Amine Madjet, M.

1994-01-01

We have studied the electronic properties of alkali-metal clusters in various theoretical approximations and in the framework of the spherical jellium model. We have investigated the ground state properties of alkali clusters both in the LDA (local density approximation) and in HF (Hartree-Fock) theory. We have compared the LDA predictions of the ground state properties to predictions obtained within the HF theory. Such a comparison permitted us to check the validity of the local density functional theory in describing the ground state of a finite fermion system. For the study of collective dipolar excitations in clusters, we have considered an electromagnetic excitation. We have investigated the collective modes in the following approximations: random phase approximation (RPA), time-dependent local-density approximation (TDLDA) and the sum-rules approach. An assessment of the approximation for the continuum state within the RPA is made by comparing with TDLDA calculations for the static and dynamic electronic properties. The comparative study that we have done on the exchange-correlation effects on the electronic and optical properties have shown that the discrepancies with measured data are due mostly to the jellium approximation for the ionic background. (author). 69 refs., 30 figs., 18 tabs

The practical model of electron emission in the radioisotope battery by fast ions

International Nuclear Information System (INIS)

Erokhine, N.S.; Balebanov, V.M.

2003-01-01

Under the theoretical analysis of secondary-emission radioisotope source of current the estimate of energy spectrum F(E) of secondary electrons with energy E emitted from films is the important problem. This characteristic knowledge allows, in particular, studying the volt-ampere function, the dependence of electric power deposited in the load on the system parameters and so on. Since the rigorous calculations of energy spectrum F(E) are the complicated enough and labour-intensive there is necessity to elaborate the practical model which allows by the simple computer routine on the basis of generalized data (both experimental measurements and theoretical calculations) on the stopping powers and mean free path of suprathermal electrons to perform reliable express-estimates of the energy spectrum F(E) and the volt-ampere function I(V) for the concrete materials of battery emitter films. This paper devoted to description of of the practical model to calculate electron emission characteristics under the passage of fast ion fluxes from the radioisotope source through the battery emitter. The analytical approximations for the stopping power of emitter materials, the electron inelastic mean free path, the ion production of fast electrons and the probability for them to arrive the film surface are taken into account. In the cases of copper and gold films, the secondary electron escaping depth, the position of energy spectrum peak are considered in the dependence on surface potential barrier magnitude U. According to our calculations the energy spectrum peak shifted to higher electron energy under the U growth. The model described may be used for express estimates and computer simulations of fast alpha-particles and suprathermal electrons interactions with the solid state plasma of battery emitter films, to study the electron emission layer characteristics including the secondary electron escaping depth, to find the optimum conditions for excitation of nonequilibrium

Deep Appearance Models: A Deep Boltzmann Machine Approach for Face Modeling

OpenAIRE

Duong, Chi Nhan; Luu, Khoa; Quach, Kha Gia; Bui, Tien D.

2016-01-01

The "interpretation through synthesis" approach to analyze face images, particularly Active Appearance Models (AAMs) method, has become one of the most successful face modeling approaches over the last two decades. AAM models have ability to represent face images through synthesis using a controllable parameterized Principal Component Analysis (PCA) model. However, the accuracy and robustness of the synthesized faces of AAM are highly depended on the training sets and inherently on the genera...

SPICE compatible analytical electron mobility model for biaxial strained-Si-MOSFETs

Energy Technology Data Exchange (ETDEWEB)

Chaudhry, Amit; Sangwan, S. [UIET, Panjab University, Chandigarh (India); Roy, J. N., E-mail: amit_chaudhry01@yahoo.com [Solar Semiconductro Pvt. Ltd, Hyderabad (India)

2011-05-15

This paper describes an analytical model for bulk electron mobility in strained-Si layers as a function of strain. Phonon scattering, columbic scattering and surface roughness scattering are included to analyze the full mobility model. Analytical explicit calculations of all of the parameters to accurately estimate the electron mobility have been made. The results predict an increase in the electron mobility with the application of biaxial strain as also predicted from the basic theory of strain physics of metal oxide semiconductor (MOS) devices. The results have also been compared with numerically reported results and show good agreement. (semiconductor devices)

SPICE compatible analytical electron mobility model for biaxial strained-Si-MOSFETs

International Nuclear Information System (INIS)

Chaudhry, Amit; Sangwan, S.; Roy, J. N.

2011-01-01

This paper describes an analytical model for bulk electron mobility in strained-Si layers as a function of strain. Phonon scattering, columbic scattering and surface roughness scattering are included to analyze the full mobility model. Analytical explicit calculations of all of the parameters to accurately estimate the electron mobility have been made. The results predict an increase in the electron mobility with the application of biaxial strain as also predicted from the basic theory of strain physics of metal oxide semiconductor (MOS) devices. The results have also been compared with numerically reported results and show good agreement. (semiconductor devices)

A New Approach in Teaching Power Electronics Control of Electrical Drives using Real-Time

DEFF Research Database (Denmark)

Teodorescu, Remus; Bech, Michael Møller; Blaabjerg, Frede

2000-01-01

A new approach in teaching power electronics and electrical drives is achieved at the Flexible Drives System Laboratory (FDSL) from Aalborg University by using the new Total Development Environment (TDE) concept that allows a full visual block-oriented programming of dynamic real-time systems...

A Bayesian approach to model uncertainty

International Nuclear Information System (INIS)

Buslik, A.

1994-01-01

A Bayesian approach to model uncertainty is taken. For the case of a finite number of alternative models, the model uncertainty is equivalent to parameter uncertainty. A derivation based on Savage's partition problem is given

Modeling paraxial wave propagation in free-electron laser oscillators

NARCIS (Netherlands)

Karssenberg, J.G.; van der Slot, Petrus J.M.; Volokhine, I.; Verschuur, Jeroen W.J.; Boller, Klaus J.

2006-01-01

Modeling free-electron laser (FEL) oscillators requires calculation of both the light-beam interaction within the undulator and the light propagation outside the undulator. We have developed a paraxial optical propagation code that can be combined with various existing models of gain media, for

Terrestrial radiation effects in ULSI devices and electronic systems

CERN Document Server

Ibe, Eishi H

2014-01-01

A practical guide on how mathematical approaches can be used to analyze and control radiation effects in semiconductor devices within various environments Covers faults in ULSI devices to failures in electronic systems caused by a wide variety of radiation fields, including electrons, alpha -rays, muons, gamma rays, neutrons and heavy ions. Readers will learn the environmental radiation features at the ground or avionics altitude. Readers will also learn how to make numerical models from physical insight and what kind of mathematical approaches should be implemented to analyze the radiation effects. A wide variety of mitigation techniques against soft-errors are reviewed and discussed. The author shows how to model sophisticated radiation effects in condensed matter in order to quantify and control them. The book provides the reader with the knowledge on a wide variety of radiation fields and their effects on the electronic devices and systems. It explains how electronic systems including servers and rout...

Counterintuitive electron localisation from density-functional theory with polarisable solvent models

Energy Technology Data Exchange (ETDEWEB)

Dale, Stephen G., E-mail: sdale@ucmerced.edu [Chemistry and Chemical Biology, School of Natural Sciences, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States); Johnson, Erin R., E-mail: erin.johnson@dal.ca [Department of Chemistry, Dalhousie University, 6274 Coburg Road, Halifax, Nova Scotia B3H 4R2 (Canada)

2015-11-14

Exploration of the solvated electron phenomena using density-functional theory (DFT) generally results in prediction of a localised electron within an induced solvent cavity. However, it is well known that DFT favours highly delocalised charges, rendering the localisation of a solvated electron unexpected. We explore the origins of this counterintuitive behaviour using a model Kevan-structure system. When a polarisable-continuum solvent model is included, it forces electron localisation by introducing a strong energetic bias that favours integer charges. This results in the formation of a large energetic barrier for charge-hopping and can cause the self-consistent field to become trapped in local minima thus converging to stable solutions that are higher in energy than the ground electronic state. Finally, since the bias towards integer charges is caused by the polarisable continuum, these findings will also apply to other classical polarisation corrections, as in combined quantum mechanics and molecular mechanics (QM/MM) methods. The implications for systems beyond the solvated electron, including cationic DNA bases, are discussed.

Forbidden transitions in excitation by electron impact in Co3+: an R-matrix approach

International Nuclear Information System (INIS)

Stancalie, V

2011-01-01

Collision strengths for the electron-impact excitation of forbidden transitions between 136 terms arising from 3d 6 , 3d 5 4s and 3d 5 4p configurations of Co 3+ have been calculated using the R-matrix method. The accuracy of a series of models for the target terms was considered, which form the basis for R-matrix collision calculations. The importance of including configuration interaction wave functions both in the target-state expansion and in the (N+1)-electron quadratically integrable function expansion is discussed. Collision strengths were calculated for incident electron energies up to 6 Ryd. These results are believed to be the first such values for this system and will be important for plasma modelling.

Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence

International Nuclear Information System (INIS)

Gori-Giorgi, Paola; Savin, Andreas