Shoda, Munehito; Yokoyama, Takaaki; Suzuki, Takeru K.
2018-02-01
We propose a novel one-dimensional model that includes both shock and turbulence heating and qualify how these processes contribute to heating the corona and driving the solar wind. Compressible MHD simulations allow us to automatically consider shock formation and dissipation, while turbulent dissipation is modeled via a one-point closure based on Alfvén wave turbulence. Numerical simulations were conducted with different photospheric perpendicular correlation lengths {λ }0, which is a critical parameter of Alfvén wave turbulence, and different root-mean-square photospheric transverse-wave amplitudes δ {v}0. For the various {λ }0, we obtain a low-temperature chromosphere, high-temperature corona, and supersonic solar wind. Our analysis shows that turbulence heating is always dominant when {λ }0≲ 1 {Mm}. This result does not mean that we can ignore the compressibility because the analysis indicates that the compressible waves and their associated density fluctuations enhance the Alfvén wave reflection and therefore the turbulence heating. The density fluctuation and the cross-helicity are strongly affected by {λ }0, while the coronal temperature and mass-loss rate depend weakly on {λ }0.
Self-consistent viscous heating of rapidly compressed turbulence
Campos, Alejandro; Morgan, Brandon
2017-11-01
Given turbulence subjected to infinitely rapid deformations, linear terms representing interactions between the mean flow and the turbulence dictate the evolution of the flow, whereas non-linear terms corresponding to turbulence-turbulence interactions are safely ignored. For rapidly deformed flows where the turbulence Reynolds number is not sufficiently large, viscous effects can't be neglected and tend to play a prominent role, as shown in the study of Davidovits & Fisch (2016). For such a case, the rapid increase of viscosity in a plasma-as compared to the weaker scaling of viscosity in a fluid-leads to the sudden viscous dissipation of turbulent kinetic energy. As shown in Davidovits & Fisch, increases in temperature caused by the direct compression of the plasma drive sufficiently large values of viscosity. We report on numerical simulations of turbulence where the increase in temperature is the result of both the direct compression (an inviscid mechanism) and the self-consistent viscous transfer of energy from the turbulent scales towards the thermal energy. A comparison between implicit large-eddy simulations against well-resolved direct numerical simulations is included to asses the effect of the numerical and subgrid-scale dissipation on the self-consistent viscous This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.
Indian Academy of Sciences (India)
The Sun is a mysterious star. The high temperature of the chromosphere and corona present one of the most puzzling problems of solar physics. Observations show that the solar coronal heating problem is highly complex with many different facts. It is likely that different heating mechanisms are at work in solar corona.
Khan, A.; Belluzzi, L.; Landi Degl'Innocenti, E.; Fineschi, S.; Romoli, M.
2011-05-01
Context. The presence and importance of the coronal magnetic field is illustrated by a wide range of phenomena, such as the abnormally high temperatures of the coronal plasma, the existence of a slow and fast solar wind, the triggering of explosive events such as flares and CMEs. Aims: We investigate the possibility of using the Hanle effect to diagnose the coronal magnetic field by analysing its influence on the linear polarisation, i.e. the rotation of the plane of polarisation and depolarisation. Methods: We analyse the polarisation characteristics of the first three lines of the hydrogen Lyman-series using an axisymmetric, self-consistent, minimum-corona MHD model with relatively low values of the magnetic field (a few Gauss). Results: We find that the Hanle effect in the above-mentioned lines indeed seems to be a valuable tool for analysing the coronal magnetic field. However, great care must be taken when analysing the spectropolarimetry of the Lα line, given that a non-radial solar wind and active regions on the solar disk can mimic the effects of the magnetic field, and, in some cases, even mask them. Similar drawbacks are not found for the Lβ and Lγ lines because they are more sensitive to the magnetic field. We also briefly consider the instrumental requirements needed to perform polarimetric observations for diagnosing the coronal magnetic fields. Conclusions: The combined analysis of the three aforementioned lines could provide an important step towards better constrainting the value of solar coronal magnetic fields.
Parker, E. N.
1991-01-01
It has been shown that the coronal hole, and the associated high-speed stream in the solar wind, are powered by a heat input of the order of 500,000 ergs/sq cm s, with most of the heat injected in the first 1-2 solar radii, and perhaps 100,000 ergs/sq cm s introduced at distances of several solar radii to provide the high speed of the issuing solar wind. The traditional view has been that this energy is obtained from Alfven waves generated in the subphotospheric convection, which dissipate as they propagate outward, converting the wave energy into heat. This paper reviews the generation of waves and the known wave dissipation mechanisms, to show that the necessary Alfven waves are not produced under the conditions presently understood to exist in the sun, nor would such waves dissipate significantly in the first 1-2 solar radii if they existed. Wave dissipation occurs only over distances of the order of 5 solar radii or more.
International Nuclear Information System (INIS)
Bergkvist, T.; Hellsten, T.; Johnson, T.
2006-01-01
Alfven eigenmodes (AEs) excited by fusion born α particles can degrade the heating efficiency of a burning plasma and throw out αs. To experimentally study the effects of excitation of AEs and the redistribution of the fast ions, ion cyclotron resonance heating (ICRH) is often used. The distribution function of thermonuclear αs in a reactor is expected to be isotropic and constantly renewed through DT reactions. The distribution function of cyclotron heated ions is strongly anisotropic, and the ICRH do not only renew the distribution function but also provide a strong decorrelation mechanism between the fast ions and the AE. Because of the sensitivity of the AE dynamics on the details of the distribution function, the location of the resonance surfaces in phase space and the extent of the overlapping resonant regions for different AEs, a self-consistent treatment of the AE excitation and the ICRH is necessary. Interactions of fast ions with AEs during ICRH has been implemented in the SELFO code. Simulations are in good agreement with the experimentally observer pitch-fork splitting and rapid damping of the AE as ICRH is turned off. The redistribution of fast ions have been studied in the presence of several driven AEs. (author)
Bravo, S.; Ocania, G.
1991-04-01
RESUMEN Con base en las observaciones del Skylab del Sol en rayos X que permitieron r la forma de la frontera del hoyo coronal del polo norte y en las observaciones de l 'z que permitieron derivar un perfil de densidad para el flujo de viento solar (IC ese hoyo, Murno yjackson (1977) concluyeron que se requiere una adici6n t l clc energfa al flujo hasta al menos 5 R8. En este trabajo, recalculamos los perfiles de y de temperatura para el mismo hoyo pero considerando una frontera Cs mas ancha en la base, de acuerdo con las observaciones del coron6metro-K del IIAO, los espectroheliogramas en EUV del OSO-7 y las fotografias de la corona solar cerca de los 4 E)()O A. Se tomaron tambien las incertidumbres en el perfil de densidad electr6nica inl & a las observaciones de luz blanca y se consideraron diversos valores posibles dCl fl 'jo (lC masa 1 UA. Encontramos que las diferencias introducidas no son suficientes par clcsc' la necesidad de una energetizaci6n extensa del viento solar, pero una dC las s posibles muestra una concordancia muy buena con el modelado MHD (l( l flujo con el unico t6rmino adicional de la fuerza de Lorentz en la ecuaci6n de # (). ABSTRACT Based on the near to the Sun boundary of the Skylab north polar coroi ' l estimated from the AS & E X-ray photographs and on the density profile fi-C)I white light data, Munro and Jackson (1977) concluded that substantial energy the solar wind flux is required up to at least 5 Rs. In this paper we recalculate `eloci y and temperature profiles for the same hole but considering a different bo ' ry for flux tube which is larger at its base, according to the HAO K- obser"' (i()I0 , the OSO-7 EUV spectroheliograms and pictures of the solar 4500 A. è take into account the uncertainties inherent in the white light observations () electron density profile and consider different possible values of the solar I .' fltix at 1 AU. We that the differences introduced are not sufficient to discard ii y of an extended
Observational Consequences of Coronal Heating Mechanisms
Winebarger, Amy R.; Cirtain, Jonathan C.; Golub, Leon; Kobayashi, Ken
2014-01-01
The coronal heating problem remains unsolved today, 80 years after its discovery, despite 50 years of suborbital and orbital coronal observatories. Tens of theoretical coronal heating mechanisms have been suggested, but only a few have been able to be ruled out. In this talk, we will explore the reasons for the slow progress and discuss the measurements that will be needed for potential breakthrough, including imaging the solar corona at small spatial scales, measuring the chromospheric magnetic fields, and detecting the presence of high temperature, low emission measure plasma. We will discuss three sounding rocket instruments developed to make these measurements: the High resolution Resolution Coronal Imager (Hi-C), the Chromospheric Lyman-Alpha Spectropolarimeter (CLASP), and the Marshall Grazing Incidence X-ray Spectrometer (MaGIXS).
Microflares as Possible Sources for Coronal Heating
Indian Academy of Sciences (India)
2016-01-27
Jan 27, 2016 ... On the other hand, the spectra of microflares showhybrid model of thermal and non-thermal emission, which further supports them as possible sources of coronal heating. Our results based on the analysis show that the energy relapsed by the microflares is good enough for heating of the active corona.
Mechanisms of Coronal Heating S. R. Verma
Indian Academy of Sciences (India)
polarity elements. These processes have been shown convincingly to explain the appearance of X-ray bright points, which however, although important in their own right, make up only a small fraction of the total coronal heating (Priest et al. 2002) ...
Role of Magnetic Carpet in Coronal Heating
Indian Academy of Sciences (India)
2016-01-27
Jan 27, 2016 ... One of the fundamental questions in solar physics is how the solar corona maintains its high temperature of several million Kelvin above photosphere with a temperature of 6000 K. Observations show that solar coronal heating problem is highly complex with many different facts. It is likely that different ...
Turbulent resistive heating of solar coronal arches
Benford, G.
1983-01-01
The possibility that coronal heating occurs by means of anomalous Joule heating by electrostatic ion cyclotron waves is examined, with consideration given to currents running from foot of a loop to the other. It is assumed that self-fields generated by the currents are absent and currents follow the direction of the magnetic field, allowing the plasma cylinder to expand radially. Ion and electron heating rates are defined within the cylinder, together with longitudinal conduction and convection, radiation and cross-field transport, all in terms of Coulomb and turbulent effects. The dominant force is identified as electrostatic ion cyclotron instability, while ion acoustic modes remain stable. Rapid heating from an initial temperature of 10 eV to 100-1000 eV levels is calculated, with plasma reaching and maintaining a temperature in the 100 eV range. Strong heating is also possible according to the turbulent Ohm's law and by resistive heating.
Coronal Heating Observed with Hi-C
Winebarger, Amy R.
2013-01-01
The recent launch of the High-Resolution Coronal Imager (Hi-C) as a sounding rocket has offered a new, different view of the Sun. With approx 0.3" resolution and 5 second cadence, Hi-C reveals dynamic, small-scale structure within a complicated active region, including coronal braiding, reconnection regions, Alfven waves, and flows along active region fans. By combining the Hi-C data with other available data, we have compiled a rich data set that can be used to address many outstanding questions in solar physics. Though the Hi-C rocket flight was short (only 5 minutes), the added insight of the small-scale structure gained from the Hi-C data allows us to look at this active region and other active regions with new understanding. In this talk, I will review the first results from the Hi-C sounding rocket and discuss the impact of these results on the coronal heating problem.
Directory of Open Access Journals (Sweden)
X. Zhu
2005-11-01
Full Text Available The thermosphere is subject to additional electric and magnetic forces, not important in the middle and lower atmosphere, due to its partially ionized atmosphere. The effects of charged particles on the neutral atmospheric dynamics are often parameterized by ion drag in the momentum equations and Joule heating in the energy equation. Presented in this paper are a set of more accurate parameterizations for the ion drag and Joule heating for the neutral atmosphere that are functions of the difference between bulk ion velocity and neutral wind. The parameterized expressions also depend on the magnetic field, the Pedersen and Hall conductivities, and the ratio of the ion cyclotron frequency to the ion-neutral collision frequency. The formal relationship between the electromagnetic energy, atmospheric kinetic energy, and Joule heating is illustrated through the conversion terms between these three types of energy. It is shown that there will always be an accompanying conversion of kinetic energy into Joule heating when electromagnetic energy is generated through the dynamo mechanism of the atmospheric neutral wind. Likewise, electromagnetic energy cannot be fully converted into kinetic energy without producing Joule heating in the thermosphere.
A Survey of Coronal Heating Properties in Solar Active Regions
Viall, Nicholeen; Klimchuk, James A.
2014-06-01
We investigate the properties of coronal heating in solar active regions (AR) by systematically analyzing coronal light curves observed by the Atmospheric Imaging Assembly onboard the Solar Dynamics Observatory. Our automated technique computes time-lags (cooling times) on a pixel-by-pixel basis, and has the advantage that it allows us to analyze all of the coronal AR emission, including the so-called diffuse emission between coronal loops. We recently presented results using this time-lag analysis on NOAA AR 11082 (Viall & Klimchuk 2012) and found that the majority of the pixels contained cooling plasma along their line of sight. This result is consistent with impulsive coronal nanoflare heating of both coronal loops and the surrounding diffuse emission in the AR. Here we present the results of our time-lag technique applied to a survey of 15 AR of different magnetic complexity, total unsigned magnetic flux, size and age. We show that the post-nanoflare cooling patterns identified in NOAA AR 11082 are identified throughout all of the active regions in this survey, indicating that nanoflare heating is ubiquitous in solar active regions. However, some details of the nanoflare properties, such as the nanoflare energy, are different across these different active regions.We thank the SDO/AIA team for the use of these data, and the Coronal Heating ISSI team for helpful discussion of these topics. This research was supported by a NASA Heliophysics GI.
New Evidence that Magnetoconvection Drives Solar–Stellar Coronal Heating
Energy Technology Data Exchange (ETDEWEB)
Tiwari, Sanjiv K.; Panesar, Navdeep K.; Moore, Ronald L.; Winebarger, Amy R. [NASA Marshall Space Flight Center, Mail Code ST 13, Huntsville, AL 35812 (United States); Thalmann, Julia K., E-mail: sanjivtiwari80@gmail.com [Institute of Physics/IGAM, University of Graz, Universittsplatz 5/II, A-8010 Graz (Austria)
2017-07-10
How magnetic energy is injected and released in the solar corona, keeping it heated to several million degrees, remains elusive. Coronal heating generally increases with increasing magnetic field strength. From a comparison of a nonlinear force-free model of the three-dimensional active region coronal field to observed extreme-ultraviolet loops, we find that (1) umbra-to-umbra coronal loops, despite being rooted in the strongest magnetic flux, are invisible, and (2) the brightest loops have one foot in an umbra or penumbra and the other foot in another sunspot’s penumbra or in unipolar or mixed-polarity plage. The invisibility of umbra-to-umbra loops is new evidence that magnetoconvection drives solar-stellar coronal heating: evidently, the strong umbral field at both ends quenches the magnetoconvection and hence the heating. Broadly, our results indicate that depending on the field strength in both feet, the photospheric feet of a coronal loop on any convective star can either engender or quench coronal heating in the loop’s body.
Free Magnetic Energy and Coronal Heating
Winebarger, Amy; Moore, Ron; Falconer, David
2012-01-01
Previous work has shown that the coronal X-ray luminosity of an active region increases roughly in direct proportion to the total photospheric flux of the active region's magnetic field (Fisher et al. 1998). It is also observed, however, that the coronal luminosity of active regions of nearly the same flux content can differ by an order of magnitude. In this presentation, we analyze 10 active regions with roughly the same total magnetic flux. We first determine several coronal properties, such as X-ray luminosity (calculated using Hinode XRT), peak temperature (calculated using Hinode EIS), and total Fe XVIII emission (calculated using SDO AIA). We present the dependence of these properties on a proxy of the free magnetic energy of the active region
Heating of solar coronal holes by reflected Alfven waves
Moore, R. L.; Musielak, Z. E.; Suess, S. T.; An, C.-H.
1992-01-01
As a continuation of the work of Moore et al. (1991), who found evidence that coronal holes are heated by Alfven waves that are reflected back down within the coronal holes, this paper shows that to demonstrate this evidence, it is only necessary to consider a subset of the Moore et al. models, namely, those having radial magnetic field. Using these models, it is shown that the Alfven velocity is not constant in the atmosphere of coronal holes, but changes with height (or radius), causing downward reflection of all upward Alfven waves of sufficiently long wavelength (or period).
Solar transition region and coronal response to heating rate perturbations
Mariska, John T.
1987-01-01
Observations of Doppler shifts in UV emission lines formed in the solar transition region show continual plasma downflows and impulsive plasma upflows. Using numerical simulations, the authors examine the conjecture that areas of downflowing plasma are the base regions of coronal loops in which the heating is gradually decreasing and that areas of upflowing plasma are the base regions of coronal loops in which the heating rate is gradually increasing. Beginning with a coronal loop in equilibrium, the heating rate is reduced on time scales of 100, 1000, and 2000 s to 10 percent and 1 percent of the initial value, and the loop is allowed to evolve to a new equilibrium. The heating rate for the cooled models is then increased back to the initial value on the same time scales. While significant mass motions do develop in the simulations, both the emission measure and the velocity at 100,000 K do not show the characteristics present in UV observations.
Microflares as Possible Sources for Coronal Heating Meera Gupta ...
Indian Academy of Sciences (India)
sity to very high intensity and has been found to be a very useful instrument to study microflares. We have ... are seen in Hα, soft and hard X-ray wavelengths and their temporal evolution resem- bles large flares. .... is in the slightly higher altitude (∼ 1–3 × 104 km) coronal loops and the accelerated electrons could heat the ...
A thermal catastrophe in a resonantly heated coronal loop
International Nuclear Information System (INIS)
Martens, P.C.H.; Kuperus, M.
1983-01-01
A theory for the thermal stability of hot coronal loops is presented, which is based on the resonant electrodynamic heating theory of Ionson (1982) and the evaporation/condensation scenario of Krall and Antiochos (1980). The theory predicts that gradual changes in the length of a loop or in its magnetic field strength can trigger catastrophic changes in the X-ray visibility of the loop, without the need for a change in the magnetic field topology. A natural explanation is thereby given for the observations of X-ray brightenings in loops and loop evacuations with coronal rain. (Auth.)
Coronal heating in coupled photosphere-chromosphere-coronal systems: turbulence and leakage
Verdini, A.; Grappin, R.; Velli, M.
2012-02-01
Context. Coronal loops act as resonant cavities for low-frequency fluctuations that are transmitted from the deeper layers of the solar atmosphere. These fluctuations are amplified in the corona and lead to the development of turbulence that in turn is able to dissipate the accumulated energy, thus heating the corona. However, trapping is not perfect, because some energy leaks down to the chromosphere on a long timescale, limiting the turbulent heating. Aims: We consider the combined effects of turbulence and energy leakage from the corona to the photosphere in determining the turbulent energy level and associated heating rate in models of coronal loops, which include the chromosphere and transition region. Methods: We use a piece-wise constant model for the Alfvén speed in loops and a reduced MHD-shell model to describe the interplay between turbulent dynamics in the direction perpendicular to the mean field and propagation along the field. Turbulence is sustained by incoming fluctuations that are equivalent, in the line-tied case, to forcing by the photospheric shear flows. While varying the turbulence strength, we systematically compare the average coronal energy level and dissipation in three models with increasing complexity: the classical closed model, the open corona, and the open corona including chromosphere (or three-layer model), with the last two models allowing energy leakage. Results: We find that (i) leakage always plays a role. Even for strong turbulence, the dissipation time never becomes much lower than the leakage time, at least in the three-layer model; therefore, both the energy and the dissipation levels are systematically lower than in the line-tied model; (ii) in all models, the energy level is close to the resonant prediction, i.e., assuming an effective turbulent correlation time longer than the Alfvén coronal crossing time; (iii) the heating rate is close to the value given by the ratio of photospheric energy divided by the Alfv
Heating coronal holes and accelerating the solar wind
Parker, E. N.
1992-01-01
The special energy requirements of a coronal hole combined with current knowledge of the limited dissipation of Alfven and fast mode MHD waves in the solar corona suggest a unique source of heat for the coronal hole. The near coronal hole requires approximately 3 - 4 x 10 exp 5 ergs/sq cm s, which can come only from the fluid jets, fast particles, and short period MHD waves from the network activity. The high speed streams of solar wind from coronal holes show that there is substantial heating, of 1 - 2 x 10 exp 5 ergs/sq cm s, beyond the sonic point in the wind, which can come only from the dissipation by thermal conduction of long period (approximately equal or greater than 100 sec) MHD waves from subphotospheric convection. Although the Alfven wave flux from the photosphere is generally taken for granted in the literature, we point out that it is a crucial phenomenon that has yet to be established on either a theoretical or observational scientific basis.
Diagnostics of Coronal Heating in Solar Active Regions
Fludra, Andrzej; Hornsey, Christopher; Nakariakov, Valery
2015-04-01
We aim to develop a diagnostic method for the coronal heating mechanism in active region loops. Observational constraints on coronal heating models have been sought using measurements in the X-ray and EUV wavelengths. Statistical analysis, using EUV emission from many active regions, was done by Fludra and Ireland (2008) who studied power-law relationships between active region integrated magnetic flux and emission line intensities. A subsequent study by Fludra and Warren (2010) for the first time compared fully resolved images in an EUV spectral line of OV 63.0 nm with the photospheric magnetic field, leading to the identification of a dominant, ubiquitous variable component of the transition region EUV emission and a discovery of a steady basal heating, and deriving the dependence of the basal heating rate on the photospheric magnetic flux density. In this study, we compare models of single coronal loops with EUV observations. We assess to what degree observations of individual coronal loops made in the EUV range are capable of providing constraints on the heating mechanism. We model the coronal magnetic field in an active region using an NLFF extrapolation code applied to a photospheric vector magnetogram from SDO/HMI and select several loops that match an SDO/AIA 171 image of the same active region. We then model the plasma in these loops using a 1D hydrostatic code capable of applying an arbitrary heating rate as a function of magnetic field strength along the loop. From the plasma parameters derived from this model, we calculate the EUV emission along the loop in AIA 171 and 335 bands, and in pure spectral lines of Fe IX 17.1 nm and Fe XVI 33.5 nm. We use different spatial distributions of the heating function: concentrated near the loop top, uniform and concentrated near the footpoints, and investigate their effect on the modelled EUV intensities. We find a diagnostics based on the dependence of the total loop intensity on the shape of the heating function
International Nuclear Information System (INIS)
Rafelski, J.
1979-01-01
After an introductory overview of the bag model the author uses the self-consistent solution of the coupled Dirac-meson fields to represent a bound state of strongly ineteracting fermions. In this framework he discusses the vivial approach to classical field equations. After a short description of the used numerical methods the properties of bound states of scalar self-consistent Fields and the solutions of a self-coupled Dirac field are considered. (HSI) [de
Turbulence-driven coronal heating and improvements to empirical forecasting of the solar wind
International Nuclear Information System (INIS)
Woolsey, Lauren N.; Cranmer, Steven R.
2014-01-01
Forecasting models of the solar wind often rely on simple parameterizations of the magnetic field that ignore the effects of the full magnetic field geometry. In this paper, we present the results of two solar wind prediction models that consider the full magnetic field profile and include the effects of Alfvén waves on coronal heating and wind acceleration. The one-dimensional magnetohydrodynamic code ZEPHYR self-consistently finds solar wind solutions without the need for empirical heating functions. Another one-dimensional code, introduced in this paper (The Efficient Modified-Parker-Equation-Solving Tool, TEMPEST), can act as a smaller, stand-alone code for use in forecasting pipelines. TEMPEST is written in Python and will become a publicly available library of functions that is easy to adapt and expand. We discuss important relations between the magnetic field profile and properties of the solar wind that can be used to independently validate prediction models. ZEPHYR provides the foundation and calibration for TEMPEST, and ultimately we will use these models to predict observations and explain space weather created by the bulk solar wind. We are able to reproduce with both models the general anticorrelation seen in comparisons of observed wind speed at 1 AU and the flux tube expansion factor. There is significantly less spread than comparing the results of the two models than between ZEPHYR and a traditional flux tube expansion relation. We suggest that the new code, TEMPEST, will become a valuable tool in the forecasting of space weather.
Identification of coronal heating events in 3D simulations
Kanella, Charalambos; Gudiksen, Boris V.
2017-07-01
Context. The solar coronal heating problem has been an open question in the science community since 1939. One of the proposed models for the transport and release of mechanical energy generated in the sub-photospheric layers and photosphere is the magnetic reconnection model that incorporates Ohmic heating, which releases a part of the energy stored in the magnetic field. In this model many unresolved flaring events occur in the solar corona, releasing enough energy to heat the corona. Aims: The problem with the verification and quantification of this model is that we cannot resolve small scale events due to limitations of the current observational instrumentation. Flaring events have scaling behavior extending from large X-class flares down to the so far unobserved nanoflares. Histograms of observable characteristics of flares show powerlaw behavior for energy release rate, size, and total energy. Depending on the powerlaw index of the energy release, nanoflares might be an important candidate for coronal heating; we seek to find that index. Methods: In this paper we employ a numerical three-dimensional (3D)-magnetohydrodynamic (MHD) simulation produced by the numerical code Bifrost, which enables us to look into smaller structures, and a new technique to identify the 3D heating events at a specific instant. The quantity we explore is the Joule heating, a term calculated directly by the code, which is explicitly correlated with the magnetic reconnection because it depends on the curl of the magnetic field. Results: We are able to identify 4136 events in a volume 24 × 24 × 9.5 Mm3 (I.e., 768 × 786 × 331 grid cells) of a specific snapshot. We find a powerlaw slope of the released energy per second equal to αP = 1.5 ± 0.02, and two powerlaw slopes of the identified volume equal to αV = 1.53 ± 0.03 and αV = 2.53 ± 0.22. The identified energy events do not represent all the released energy, but of the identified events, the total energy of the largest events
International Nuclear Information System (INIS)
Hazeltine, R.D.
1988-12-01
The boundary layer arising in the radial vicinity of a tokamak limiter is examined, with special reference to the TEXT tokamak. It is shown that sheath structure depends upon the self-consistent effects of ion guiding-center orbit modification, as well as the radial variation of E /times/ B-induced toroidal rotation. Reasonable agreement with experiment is obtained from an idealized model which, however simplified, preserves such self-consistent effects. It is argued that the radial sheath, which occurs whenever confining magnetic field-lines lie in the plasma boundary surface, is an object of some intrinsic interest. It differs from the more familiar axial sheath because magnetized charges respond very differently to parallel and perpendicular electric fields. 11 refs., 1 fig
Directory of Open Access Journals (Sweden)
U. Zammit
2012-03-01
Full Text Available High temperature resolution study of the specific heat and of the thermal conductivity over the smecticA-nematic and nematic-isotropic phase transitions in octylcynobephenyl liquid crystal using a new photopyroelectric calorimetry configuration are reported, where, unlike previously adopted ones, no calibration is required other than the procedure used during the actual measurement. This makes photopyroelectric calorimetry suitable for “absolute” measurements of the thermal parameters like most other existing conventional calorimetric techniques where, however, the thermal conductivity cannot be measured.
Understanding Solar Coronal Heating through Atomic and Plasma Physics Experiments
Savin, Daniel Wolf; Arthanayaka, Thusitha; Bose, Sayak; Hahn, Michael; Beiersdorfer, Peter; Brown, Gregory V.; Gekelman, Walter; Vincena, Steve
2017-08-01
Recent solar observations suggest that the Sun's corona is heated by Alfven waves that dissipate at unexpectedly low heights in the corona. These observations raise a number of questions. Among them are the problems of accurately quantifying the energy flux of the waves and that of describing the physical mechanism that leads to the wave damping. We are performing laboratory experiments to address both of these issues.The energy flux depends on the electron density, which can be measured spectroscopically. However, spectroscopic density diagnostics have large uncertainties, because they depend sensitively on atomic collisional excitation, de-excitation, and radiative transition rates for multiple atomic levels. Essentially all of these data come from theory and have not been experimentally validated. We are conducting laboratory experiments using the electron beam ion trap (EBIT) at Lawrence Livermore National Laboratory that will provide accurate empirical calibrations for spectroscopic density diagnostics and which will also help to guide theoretical calculations.The observed rapid wave dissipation is likely due to inhomogeneities in the plasma that drive flows and currents at small length scales where energy can be more efficiently dissipated. This may take place through gradients in the Alfvén speed along the magnetic field, which causes wave reflection and generates turbulence. Alternatively, gradients in the Alfvén speed across the field can lead to dissipation through phase-mixing. Using the Large Plasma Device (LAPD) at the University of California Los Angeles, we are studying both of these dissipation mechanisms in the laboratory in order to understand their potential roles in coronal heating.
Observations and Numerical Models of Solar Coronal Heating Associated with Spicules
International Nuclear Information System (INIS)
Pontieu, B. De; Martinez-Sykora, J.; Moortel, I. De; McIntosh, S. W.
2017-01-01
Spicules have been proposed as significant contributors to the mass and energy balance of the corona. While previous observations have provided a glimpse of short-lived transient brightenings in the corona that are associated with spicules, these observations have been contested and are the subject of a vigorous debate both on the modeling and the observational side. Therefore, it remains unclear whether plasma is heated to coronal temperatures in association with spicules. We use high-resolution observations of the chromosphere and transition region (TR) with the Interface Region Imaging Spectrograph and of the corona with the Atmospheric Imaging Assembly on board the Solar Dynamics Observatory to show evidence of the formation of coronal structures associated with spicular mass ejections and heating of plasma to TR and coronal temperatures. Our observations suggest that a significant fraction of the highly dynamic loop fan environment associated with plage regions may be the result of the formation of such new coronal strands, a process that previously had been interpreted as the propagation of transient propagating coronal disturbances. Our observations are supported by 2.5D radiative MHD simulations that show heating to coronal temperatures in association with spicules. Our results suggest that heating and strong flows play an important role in maintaining the substructure of loop fans, in addition to the waves that permeate this low coronal environment.
Observations and Numerical Models of Solar Coronal Heating Associated with Spicules
Energy Technology Data Exchange (ETDEWEB)
Pontieu, B. De; Martinez-Sykora, J. [Lockheed Martin Solar and Astrophysics Laboratory, 3251 Hanover Street, Org. A021S, Building 252, Palo Alto, CA 94304 (United States); Moortel, I. De [School of Mathematics and Statistics, University of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom); McIntosh, S. W. [High Altitude Observatory, National Center for Atmospheric Research, P.O. Box 3000, Boulder, CO 80307 (United States)
2017-08-20
Spicules have been proposed as significant contributors to the mass and energy balance of the corona. While previous observations have provided a glimpse of short-lived transient brightenings in the corona that are associated with spicules, these observations have been contested and are the subject of a vigorous debate both on the modeling and the observational side. Therefore, it remains unclear whether plasma is heated to coronal temperatures in association with spicules. We use high-resolution observations of the chromosphere and transition region (TR) with the Interface Region Imaging Spectrograph and of the corona with the Atmospheric Imaging Assembly on board the Solar Dynamics Observatory to show evidence of the formation of coronal structures associated with spicular mass ejections and heating of plasma to TR and coronal temperatures. Our observations suggest that a significant fraction of the highly dynamic loop fan environment associated with plage regions may be the result of the formation of such new coronal strands, a process that previously had been interpreted as the propagation of transient propagating coronal disturbances. Our observations are supported by 2.5D radiative MHD simulations that show heating to coronal temperatures in association with spicules. Our results suggest that heating and strong flows play an important role in maintaining the substructure of loop fans, in addition to the waves that permeate this low coronal environment.
Heating of solar coronal loops by resonant absorption of Alfven waves
Grossmann, William; Smith, Robert A.
1988-01-01
Numerical calculations governing the efficiency of coronal loop heating by the resonant absorption of shear Alfven waves are reported. The loop structure is modeled by a class of axisymmetric force-free equilibria of a long straight cylinder, approximating a large aspect ratio loop. For a range of parameters characterizing the evolution of solar coronal loops, the absorption bandwidth falls in the frequency range of the photospheric motions due to granulation and p-modes. Resonant Alfven wave absorption is thus a viable mechanism for coronal loop heating.
The possible role of high-frequency waves in heating solar coronal loops
Porter, Lisa J.; Klimchuk, James A.; Sturrock, Peter A.
1994-01-01
We investigate the role of high-frequency waves in the heating of solar active region coronal loops. We assume a uniform background magnetic field, and we introduce a density stratification in a direction perpendicular to this field. We focus on ion compressive viscosity as the damping mechanism of the waves. We incorporate viscosity self-consistently into the equations, and we derive a dispersion relation by adopting a slab model, where the density inside the slab is greater than that outside. Such a configuration supports two types of modes: surface waves and trapped body waves. In order to determine under what conditions these waves may contribute to the heating of active regions, we solve our dispersion relation for a range of densities, temperatures, magnetic field strengths, density ratios, wavevector magnitudes, wavevector ratios, and slab widths. We find that surface waves exhibit very small damping, but body waves can potentially damp at rates needed to balance radiative losses. However, the required frequencies of these body waves are very high. For example, the wave frequency must be at least 5.0/s for a slab density of 10(exp 9,5)/cc, a slab temperature of 10(exp 6,5) K, a field strength of 100 G, and a density ratio of 5. For a slab density of 10(exp 10)/cc, this frequency increases to 8.8/s. Although these frequencies are very high, there in no observational evidence to rule out their existence, and they may be generated both below the corona and at magnetic reconnection sites in the corona. However, we do find that, for slab densities of 10(exp 10)/cc or less, the dissipation of high-frequency waves will be insufficient to balance the radiative losses if the magnetic field strength exceeds roughly 200 G. Because the magnetic field is known to exceed 200 G in many active region loops, particularly low-lying loops and loops emanating from sunspots, it is unlikely that high-frequency waves can provide sufficient heating in these regions.
Observations and Modeling of Transition Region and Coronal Heating Associated with Spicules
De Pontieu, B.; Martinez-Sykora, J.; De Moortel, I.; Chintzoglou, G.; McIntosh, S. W.
2017-12-01
Spicules have been proposed as significant contributorsto the coronal energy and mass balance. While previous observationshave provided a glimpse of short-lived transient brightenings in thecorona that are associated with spicules, these observations have beencontested and are the subject of a vigorous debate both on the modelingand the observational side so that it remains unclear whether plasmais heated to coronal temperatures in association with spicules. We use high-resolution observations of the chromosphere and transition region with the Interface Region Imaging Spectrograph (IRIS) and ofthe corona with the Atmospheric Imaging Assembly (AIA) onboard theSolar Dynamics Observatory (SDO) to show evidence of the formation of coronal structures as a result of spicular mass ejections andheating of plasma to transition region and coronaltemperatures. Our observations suggest that a significant fraction of the highly dynamic loop fan environment associated with plage regions may be the result of the formation of such new coronal strands, a process that previously had been interpreted as the propagation of transient propagating coronal disturbances (PCD)s. Our observationsare supported by 2.5D radiative MHD simulations that show heating tocoronal temperatures in association with spicules. Our results suggest that heating and strong flows play an important role in maintaining the substructure of loop fans, in addition to the waves that permeate this low coronal environment. Our models also matches observations ofTR counterparts of spicules and provides an elegant explanation forthe high apparent speeds of these "network jets".
Role of Magnetic Carpet in Coronal Heating S. R. Verma & Diksha ...
Indian Academy of Sciences (India)
Abstract. One of the fundamental questions in solar physics is how the solar corona maintains its high temperature of several million Kelvin above photosphere with a temperature of 6000 K. Observations show that solar coronal heating problem is highly complex with many different facts. It is likely that different heating ...
THE ROLE OF MAGNETIC TOPOLOGY IN THE HEATING OF ACTIVE REGION CORONAL LOOPS
International Nuclear Information System (INIS)
Lee, J.-Y.; Reeves, Katharine K.; Korreck, K. E.; Golub, L.; DeLuca, E. E.; Barnes, Graham; Leka, K. D.
2010-01-01
We investigate the evolution of coronal loop emission in the context of the coronal magnetic field topology. New modeling techniques allow us to investigate the magnetic field structure and energy release in active regions (ARs). Using these models and high-resolution multi-wavelength coronal observations from the Transition Region and Coronal Explorer and the X-ray Telescope on Hinode, we are able to establish a relationship between the light curves of coronal loops and their associated magnetic topologies for NOAA AR 10963. We examine loops that show both transient and steady emission, and we find that loops that show many transient brightenings are located in domains associated with a high number of separators. This topology provides an environment for continual impulsive heating events through magnetic reconnection at the separators. A loop with relatively constant X-ray and EUV emission, on the other hand, is located in domains that are not associated with separators. This result implies that larger-scale magnetic field reconnections are not involved in heating plasma in these regions, and the heating in these loops must come from another mechanism, such as small-scale reconnections (i.e., nanoflares) or wave heating. Additionally, we find that loops that undergo repeated transient brightenings are associated with separators that have enhanced free energy. In contrast, we find one case of an isolated transient brightening that seems to be associated with separators with a smaller free energy.
Alfven wave trapping, network microflaring, and heating in solar coronal holes
Moore, R. L.; Suess, S. T.; Musielak, Z. E.; An, C.-H.
1991-01-01
Fresh evidence that much of the heating in coronal holes is provided by Alfven waves is presented. This evidence comes from examining the reflection of Alfven waves in an isothermal hydrostatic model coronal hole with an open magnetic field. Reflection occurs if the wavelength is as long as the order of the scale height of the Alfven velocity. For Alfven waves with periods of about 5 min, and for realistic density, magnetic field strength, and magnetic field spreading in the model, the waves are reflected back down within the model hole if the coronal temperature is only slightly less than 1.0 x 10 to the 6th K, but are not reflected and escape out the top of the model if the coronal temperature is only slightly greater than 1.0 x 10 to the 6th K. Because the spectrum of Alfven waves in real coronal holes is expected to peak around 5 min and the temperature is observed to be close to 1.0 x 10 to the 6th K, the sensitive temperature dependence of the trapping suggests that the temperature in coronal holes is regulated by heating by the trapped Alfven waves.
Resonant electrodynamic heating of stellar coronal loops: An LRC circuit analogue
Ionson, J. A.
1980-01-01
The electrodynamic coupling of stellar coronal loops to underlying beta velocity fields. A rigorous analysis revealed that the physics can be represented by a simple yet equivalent LRC circuit analogue. This analogue points to the existence of global structure oscillations which resonantly excite internal field line oscillations at a spatial resonance within the coronal loop. Although the width of this spatial resonance, as well as the induced currents and coronal velocity field, explicitly depend upon viscosity and resistivity, the resonant form of the generalized electrodynamic heating function is virtually independent of irreversibilities. This is a classic feature of high quality resonators that are externally driven by a broad band source of spectral power. Applications to solar coronal loops result in remarkable agreement with observations.
Self consistent description of plasma equilibrium evolution in Tore Supra
International Nuclear Information System (INIS)
Blum, J.; Le Foll, J.; Leloup, C.
1984-01-01
A model is presented which describes in a self-consistent way the evolution of the plasma equilibrium in a Tokamak. Numerical simulations are presented for ohmic heating discharges, neutral beam injection, lower hybrid electron heating and current drive in Tore Supra. The various control systems (plasma current, shape and position, coil current sharing) are tested with the code. (author)
Heating and Cooling of Coronal Loops with Turbulent Suppression of Parallel Heat Conduction
Bian, Nicolas; Emslie, A. Gordon; Horne, Duncan; Kontar, Eduard P.
2018-01-01
Using the “enthalpy-based thermal evolution of loops” (EBTEL) model, we investigate the hydrodynamics of the plasma in a flaring coronal loop in which heat conduction is limited by turbulent scattering of the electrons that transport the thermal heat flux. The EBTEL equations are solved analytically in each of the two (conduction-dominated and radiation-dominated) cooling phases. Comparison of the results with typical observed cooling times in solar flares shows that the turbulent mean free path {λ }T lies in a range corresponding to a regime in which classical (collision-dominated) conduction plays at most a limited role. We also consider the magnitude and duration of the heat input that is necessary to account for the enhanced values of temperature and density at the beginning of the cooling phase and for the observed cooling times. We find through numerical modeling that in order to produce a peak temperature ≃ 1.5× {10}7 K and a 200 s cooling time consistent with observations, the flare-heating profile must extend over a significant period of time; in particular, its lingering role must be taken into consideration in any description of the cooling phase. Comparison with observationally inferred values of post-flare loop temperatures, densities, and cooling times thus leads to useful constraints on both the magnitude and duration of the magnetic energy release in the loop, as well as on the value of the turbulent mean free path {λ }T.
Heating and Cooling of Coronal Loops with Turbulent Suppression of Parallel Heat Conduction.
Bian, Nicolas; Emslie, A Gordon; Horne, Duncan; Kontar, Eduard P
2018-01-10
Using the "enthalpy-based thermal evolution of loops" (EBTEL) model, we investigate the hydrodynamics of the plasma in a flaring coronal loop in which heat conduction is limited by turbulent scattering of the electrons that transport the thermal heat flux. The EBTEL equations are solved analytically in each of the two (conduction-dominated and radiation-dominated) cooling phases. Comparison of the results with typical observed cooling times in solar flares shows that the turbulent mean free path λ T lies in a range corresponding to a regime in which classical (collision-dominated) conduction plays at most a limited role. We also consider the magnitude and duration of the heat input that is necessary to account for the enhanced values of temperature and density at the beginning of the cooling phase and for the observed cooling times. We find through numerical modeling that in order to produce a peak temperature ≃1.5 × 10 7 K and a 200 s cooling time consistent with observations, the flare-heating profile must extend over a significant period of time; in particular, its lingering role must be taken into consideration in any description of the cooling phase. Comparison with observationally inferred values of post-flare loop temperatures, densities, and cooling times thus leads to useful constraints on both the magnitude and duration of the magnetic energy release in the loop, as well as on the value of the turbulent mean free path λ T .
Translationally invariant self-consistent field theories
International Nuclear Information System (INIS)
Shakin, C.M.; Weiss, M.S.
1977-01-01
We present a self-consistent field theory which is translationally invariant. The equations obtained go over to the usual Hartree-Fock equations in the limit of large particle number. In addition to deriving the dynamic equations for the self-consistent amplitudes we discuss the calculation of form factors and various other observables
Role of Magnetic Carpet in Coronal Heating S. R. Verma & Diksha ...
Indian Academy of Sciences (India)
ity, termed magnetic carpet contributing to solar activity on a short time scale. Magnetic loops of all sizes rise into the solar corona, arising from regions of opposite magnetic polarity in the photosphere. Energy released when oppositely directed magnetic fields meet in the corona is one likely cause for coronal heating.
Resonant electrodynamic heating of stellar coronal loops - An LRC circuit analog
Ionson, J. A.
1982-01-01
The problem of electrodynamic coupling of stellar coronal loops where beta is less than 1 to underlying velocity fields where beta is greater than approximately 1 is treated. A rigorous analysis reveals that the physics can be represented by a simple yet equivalent LRC circuit analog. This derived analog suggests the existence of global structure oscillations which resonantly excite internal field line oscillations at a spatial resonance within the coronal loop. Even though the width of this spatial resonance, as well as the induced currents and coronal velocity field, within the resonance region explicitly depends on viscosity and resistivity, the resonant form of the generalized electrodynamic heating functions is virtually independent of irreversibilities. This is a classic feature of high-quality resonators that are driven externally by a broad-band source of spectral power.
OBSERVATIONAL SIGNATURES OF CORONAL LOOP HEATING AND COOLING DRIVEN BY FOOTPOINT SHUFFLING
Energy Technology Data Exchange (ETDEWEB)
Dahlburg, R. B.; Taylor, B. D. [LCP and FD, Naval Research Laboratory, Washington, DC 20375 (United States); Einaudi, G. [Berkeley Research Associates, Inc., Beltsville, MD 20705 (United States); Ugarte-Urra, I. [College of Science, George Mason University, Fairfax, VA 22030 (United States); Warren, H. P. [Space Science Division, Naval Research Laboratory, Washington, DC 20375 (United States); Rappazzo, A. F. [Advanced Heliophysics, Pasadena, CA 91106 (United States); Velli, M., E-mail: rdahlbur@lcp.nrl.navy.mil [EPSS, UCLA, Los Angeles, CA 90095 (United States)
2016-01-20
The evolution of a coronal loop is studied by means of numerical simulations of the fully compressible three-dimensional magnetohydrodynamic equations using the HYPERION code. The footpoints of the loop magnetic field are advected by random motions. As a consequence, the magnetic field in the loop is energized and develops turbulent nonlinear dynamics characterized by the continuous formation and dissipation of field-aligned current sheets: energy is deposited at small scales where heating occurs. Dissipation is nonuniformly distributed so that only a fraction of the coronal mass and volume gets heated at any time. Temperature and density are highly structured at scales that, in the solar corona, remain observationally unresolved: the plasma of our simulated loop is multithermal, where highly dynamical hotter and cooler plasma strands are scattered throughout the loop at sub-observational scales. Numerical simulations of coronal loops of 50,000 km length and axial magnetic field intensities ranging from 0.01 to 0.04 T are presented. To connect these simulations to observations, we use the computed number densities and temperatures to synthesize the intensities expected in emission lines typically observed with the Extreme Ultraviolet Imaging Spectrometer on Hinode. These intensities are used to compute differential emission measure distributions using the Monte Carlo Markov Chain code, which are very similar to those derived from observations of solar active regions. We conclude that coronal heating is found to be strongly intermittent in space and time, with only small portions of the coronal loop being heated: in fact, at any given time, most of the corona is cooling down.
MULTIFRACTAL SOLAR EUV INTENSITY FLUCTUATIONS AND THEIR IMPLICATIONS FOR CORONAL HEATING MODELS
Energy Technology Data Exchange (ETDEWEB)
Cadavid, A. C.; Lawrence, J. K.; Christian, D. J. [Department of Physics and Astronomy, California State University Northridge, 18111 Nordhoff Street, Northridge, CA 91330 (United States); Rivera, Y. J. [Department of Climate and Space Sciences, University of Michigan, Ann Arbor, Michigan 48109-2143 (United States); Jennings, P. J. [5174 S. Slauson Avenue, Culver City, CA 90230 (United States); Rappazzo, A. F., E-mail: ana.cadavid@csun.edu [Department of Earth, Planetary and Space Sciences, University of California Los Angeles, Los Angeles, CA 90095 (United States)
2016-11-10
We investigate the scaling properties of the long-range temporal evolution and intermittency of Atmospheric Imaging Assembly/ Solar Dynamics Observatory intensity observations in four solar environments: an active region core, a weak emission region, and two core loops. We use two approaches: the probability distribution function (PDF) of time series increments and multifractal detrended fluctuation analysis (MF-DFA). Noise taints the results, so we focus on the 171 Å waveband, which has the highest signal-to-noise ratio. The lags between pairs of wavebands distinguish between coronal versus transition region (TR) emission. In all physical regions studied, scaling in the range of 15–45 minutes is multifractal, and the time series are anti-persistent on average. The degree of anti-correlation in the TR time series is greater than that for coronal emission. The multifractality stems from long-term correlations in the data rather than the wide distribution of intensities. Observations in the 335 Å waveband can be described in terms of a multifractal with added noise. The multiscaling of the extreme-ultraviolet data agrees qualitatively with the radiance from a phenomenological model of impulsive bursts plus noise, and also from ohmic dissipation in a reduced magnetohydrodynamic model for coronal loop heating. The parameter space must be further explored to seek quantitative agreement. Thus, the observational “signatures” obtained by the combined tests of the PDF of increments and the MF-DFA offer strong constraints that can systematically discriminate among models for coronal heating.
Multifractal Solar EUV Intensity Fluctuations and their Implications for Coronal Heating Models
Cadavid, A. C.; Rivera, Y. J.; Lawrence, J. K.; Christian, D. J.; Jennings, P. J.; Rappazzo, A. F.
2016-11-01
We investigate the scaling properties of the long-range temporal evolution and intermittency of Atmospheric Imaging Assembly/Solar Dynamics Observatory intensity observations in four solar environments: an active region core, a weak emission region, and two core loops. We use two approaches: the probability distribution function (PDF) of time series increments and multifractal detrended fluctuation analysis (MF-DFA). Noise taints the results, so we focus on the 171 Å waveband, which has the highest signal-to-noise ratio. The lags between pairs of wavebands distinguish between coronal versus transition region (TR) emission. In all physical regions studied, scaling in the range of 15-45 minutes is multifractal, and the time series are anti-persistent on average. The degree of anti-correlation in the TR time series is greater than that for coronal emission. The multifractality stems from long-term correlations in the data rather than the wide distribution of intensities. Observations in the 335 Å waveband can be described in terms of a multifractal with added noise. The multiscaling of the extreme-ultraviolet data agrees qualitatively with the radiance from a phenomenological model of impulsive bursts plus noise, and also from ohmic dissipation in a reduced magnetohydrodynamic model for coronal loop heating. The parameter space must be further explored to seek quantitative agreement. Thus, the observational “signatures” obtained by the combined tests of the PDF of increments and the MF-DFA offer strong constraints that can systematically discriminate among models for coronal heating.
Self-consistent asset pricing models
Malevergne, Y.; Sornette, D.
2007-08-01
We discuss the foundations of factor or regression models in the light of the self-consistency condition that the market portfolio (and more generally the risk factors) is (are) constituted of the assets whose returns it is (they are) supposed to explain. As already reported in several articles, self-consistency implies correlations between the return disturbances. As a consequence, the alphas and betas of the factor model are unobservable. Self-consistency leads to renormalized betas with zero effective alphas, which are observable with standard OLS regressions. When the conditions derived from internal consistency are not met, the model is necessarily incomplete, which means that some sources of risk cannot be replicated (or hedged) by a portfolio of stocks traded on the market, even for infinite economies. Analytical derivations and numerical simulations show that, for arbitrary choices of the proxy which are different from the true market portfolio, a modified linear regression holds with a non-zero value αi at the origin between an asset i's return and the proxy's return. Self-consistency also introduces “orthogonality” and “normality” conditions linking the betas, alphas (as well as the residuals) and the weights of the proxy portfolio. Two diagnostics based on these orthogonality and normality conditions are implemented on a basket of 323 assets which have been components of the S&P500 in the period from January 1990 to February 2005. These two diagnostics show interesting departures from dynamical self-consistency starting about 2 years before the end of the Internet bubble. Assuming that the CAPM holds with the self-consistency condition, the OLS method automatically obeys the resulting orthogonality and normality conditions and therefore provides a simple way to self-consistently assess the parameters of the model by using proxy portfolios made only of the assets which are used in the CAPM regressions. Finally, the factor decomposition with the
Suppression of Heating of Coronal Loops Rooted in Opposite Polarity Sunspot Umbrae
Tiwari, Sanjiv K.; Thalmann, Julia K.; Moore, Ronald L.; Panesar, Navdeep K.; Winebarger, Amy R.
2016-01-01
EUV observations of active region (AR) coronae reveal the presence of loops at different temperatures. To understand the mechanisms that result in hotter or cooler loops, we study a typical bipolar AR, near solar disk center, which has moderate overall magnetic twist and at least one fully developed sunspot of each polarity. From AIA 193 and 94 Å images we identify many clearly discernible coronal loops that connect plage or a sunspot of one polarity to an opposite-polarity plage region. The AIA 94 Å images show dim regions in the umbrae of the spots. To see which coronal loops are rooted in a dim umbral area, we performed a non-linear force-free field (NLFFF) modeling using photospheric vector magnetic field measurements obtained with the Heliosesmic Magnetic Imager (HMI) onboard SDO. The NLFFF model, validated by comparison of calculated model field lines with observed loops in AIA 193 and 94 Å, specifies the photospheric roots of the model field lines. Some model coronal magnetic field lines arch from the dim umbral area of the positive-polarity sunspot to the dim umbral area of a negative-polarity sunspot. Because these coronal loops are not visible in any of the coronal EUV and X-ray images of the AR, we conclude they are the coolest loops in the AR. This result suggests that the loops connecting opposite polarity umbrae are the least heated because the field in umbrae is so strong that the convective braiding of the field is strongly suppressed.
Heating of an Erupting Prominence Associated with a Solar Coronal Mass Ejection on 2012 January 27
Energy Technology Data Exchange (ETDEWEB)
Lee, Jin-Yi; Moon, Yong-Jae; Kim, Kap-Sung [Department of Astronomy and Space Science, Kyung Hee University, Yongin-si, Gyeonggi-do, 17104 (Korea, Republic of); Raymond, John C.; Reeves, Katharine K. [Harvard-Smithsonian Center for Astrophysics, Cambridge, MA 02138 (United States)
2017-07-20
We investigate the heating of an erupting prominence and loops associated with a coronal mass ejection and X-class flare. The prominence is seen as absorption in EUV at the beginning of its eruption. Later, the prominence changes to emission, which indicates heating of the erupting plasma. We find the densities of the erupting prominence using the absorption properties of hydrogen and helium in different passbands. We estimate the temperatures and densities of the erupting prominence and loops seen as emission features using the differential emission measure method, which uses both EUV and X-ray observations from the Atmospheric Imaging Assembly on board the Solar Dynamics Observatory and the X-ray Telescope on board Hinode . We consider synthetic spectra using both photospheric and coronal abundances in these calculations. We verify the methods for the estimation of temperatures and densities for the erupting plasmas. Then, we estimate the thermal, kinetic, radiative loss, thermal conduction, and heating energies of the erupting prominence and loops. We find that the heating of the erupting prominence and loop occurs strongly at early times in the eruption. This event shows a writhing motion of the erupting prominence, which may indicate a hot flux rope heated by thermal energy release during magnetic reconnection.
Role of 3D-Dispersive Alfven Waves in Coronal Heating and Solar Wind
Sharma, R. P.; Yadav, N.
2013-03-01
Dispersive Alfven waves (DAWs) play a very important role in the acceleration and heating of plasma particles in space as well in laboratory plasmas. DAWs may be Kinetic Alfven waves (KAW) or Inertial Alfven waves (IAW) depending upon the plasma beta (here beta is ratio of the plasma thermal pressure and magnetic pressure). Using two-fluid model of plasma DAWs have been studied extensively in literature but to explain the dynamics of Alfvén vortices one has to study the three dimensional (3D) propagation of these waves rather than 2D- propagation. 3D- DAW itself propagates in magnetized plasma in the form of a vortex beam which is manifestation of orbital angular momentum. These magnetic flux ropes or Alfvén vortices trap charged plasma particles and energize and transport them from one place to another. Thus these Alfvén vortices can also be an alternative mechanism to explain the energy transport in space plasmas. Coronal heating is one of the unresolved problems in solar physics. A number of theories have been given to explain the mystery behind coronal heating but no satisfactory solution has been found yet. We propose to study the nonlinear interaction between 3D-DAW and Ion acoustic wave as a mechanism in solar environment to generate the 3D- DAW localized structures. In the absence of ponderomotive non-linearity we get Laguerre Gauss (LG) polynomials as solutions of paraxial wave equation governing propagation of 3D-KAW. These LG modes are characterized by spiral phase front and concentric rings as intensity pattern. The relevance of this nonlinear process to coronal heating and solar wind turbulence has been pointed out. For this we have developed a (numerical) code based on pseudo-spectral technique and simulate this nonlinear interaction.
Energy Technology Data Exchange (ETDEWEB)
Evans, R. M. [NASA Goddard Space Flight Center, Space Weather Lab, Greenbelt, MD 20771 (United States); Opher, M. [Astronomy Department, Boston University, 675 Commonwealth Avenue, Boston, MA 02215 (United States); Oran, R.; Van der Holst, B.; Sokolov, I. V.; Frazin, R.; Gombosi, T. I. [Center for Space Environment Modeling, University of Michigan, 2455 Hayward Street, Ann Arbor, MI 48109 (United States); Vasquez, A., E-mail: Rebekah.e.frolov@nasa.gov [Instituto de Astronomia y Fisica del Espacio (CONICET-UBA) and FCEN (UBA), CC 67, Suc 28, Ciudad de Buenos Aires (Argentina)
2012-09-10
The heating and acceleration of the solar wind is an active area of research. Alfven waves, because of their ability to accelerate and heat the plasma, are a likely candidate in both processes. Many models have explored wave dissipation mechanisms which act either in closed or open magnetic field regions. In this work, we emphasize the boundary between these regions, drawing on observations which indicate unique heating is present there. We utilize a new solar corona component of the Space Weather Modeling Framework, in which Alfven wave energy transport is self-consistently coupled to the magnetohydrodynamic equations. In this solar wind model, the wave pressure gradient accelerates and wave dissipation heats the plasma. Kolmogorov-like wave dissipation as expressed by Hollweg along open magnetic field lines was presented in van der Holst et al. Here, we introduce an additional dissipation mechanism: surface Alfven wave (SAW) damping, which occurs in regions with transverse (with respect to the magnetic field) gradients in the local Alfven speed. For solar minimum conditions, we find that SAW dissipation is weak in the polar regions (where Hollweg dissipation is strong), and strong in subpolar latitudes and the boundaries of open and closed magnetic fields (where Hollweg dissipation is weak). We show that SAW damping reproduces regions of enhanced temperature at the boundaries of open and closed magnetic fields seen in tomographic reconstructions in the low corona. Also, we argue that Ulysses data in the heliosphere show enhanced temperatures at the boundaries of fast and slow solar wind, which is reproduced by SAW dissipation. Therefore, the model's temperature distribution shows best agreement with these observations when both dissipation mechanisms are considered. Lastly, we use observational constraints of shock formation in the low corona to assess the Alfven speed profile in the model. We find that, compared to a polytropic solar wind model, the wave
Solar Coronal Heating and the Magnetic Flux Content of the Network
Moore, R. L.; Falconer, D. A.; Porter, J. G.; Hathaway, D. H.
2003-01-01
We investigate the heating of the quiet corona by measuring the increase of coronal luminosity with the amount of magnetic flux in the underlying network at solar minimum when there were no active regions on the face of the Sun. The coronal luminosity is measured from Fe IX/X-Fe XII pairs of coronal images from SOHO/EIT. The network magnetic flux content is measured from SOHO/MDI magnetograms. We find that the luminosity of the corona in our quiet regions increases roughly in proportion to the square root of the magnetic flux content of the network and roughly in proportion to the length of the perimeter of the network magnetic flux clumps. From (1) this result, (2) other observations of many fine-scale explosive events at the edges of network flux clumps, and (3) a demonstration that it is energetically feasible for the heating of the corona in quiet regions to be driven by explosions of granule-sized sheared-core magnetic bipoles embedded in the edges of network flux clumps, we infer that in quiet regions that are not influenced by active regions the corona is mainly heated by such magnetic activity in the edges of the network flux clumps. Our observational results together with our feasibility analysis allow us to predict that (1) at the edges of the network flux clumps there are many transient sheared-core bipoles of the size and lifetime of granules and having transverse field strengths greater than approximately - 100 G, (2) approximately 30 of these bipoles are present per supergranule, and (3) most spicules are produced by explosions of these bipoles.
Multitier self-consistent G W +EDMFT
Nilsson, F.; Boehnke, L.; Werner, P.; Aryasetiawan, F.
2017-09-01
We discuss a parameter-free and computationally efficient ab initio simulation approach for moderately and strongly correlated materials, the multitier self-consistent G W +EDMFT method. This scheme treats different degrees of freedom, such as high-energy and low-energy bands, or local and nonlocal interactions, within appropriate levels of approximation, and provides a fully self-consistent description of correlation and screening effects in the solid. The ab initio input is provided by a one-shot G0W0 calculation, while the strong-correlation effects originating from narrow bands near the Fermi level are captured by a combined G W plus extended dynamical mean-field (EDMFT) treatment. We present the formalism and technical details of our implementation and discuss some general properties of the effective EDMFT impurity action. In particular, we show that the retarded impurity interactions can have noncausal features, while the physical observables, such as the screened interactions of the lattice system, remain causal. As a first application, we present ab initio simulation results for SrMoO3, which demonstrate the existence of prominent plasmon satellites in the spectral function not obtainable within LDA+DMFT, and provide further support for our recent reinterpretation of the satellite features in the related cubic perovskite SrVO3. We then turn to stretched sodium as a model system to explore the performance of the multitier self-consistent G W +EDMFT method in situations with different degrees of correlation. While the results for the physical lattice spacing a0 show that the scheme is not very accurate for electron-gas-like systems, because nonlocal corrections beyond G W are important, it does provide physically correct results in the intermediate correlation regime, and a Mott transition around a lattice spacing of 1.5 a0 . Remarkably, even though the Wannier functions in the stretched compound are less localized, and hence the bare interaction parameters
Self-consistent model of confinement
International Nuclear Information System (INIS)
Swift, A.R.
1988-01-01
A model of the large-spatial-distance, zero--three-momentum, limit of QCD is developed from the hypothesis that there is an infrared singularity. Single quarks and gluons do not propagate because they have infinite energy after renormalization. The Hamiltonian formulation of the path integral is used to quantize QCD with physical, nonpropagating fields. Perturbation theory in the infrared limit is simplified by the absence of self-energy insertions and by the suppression of large classes of diagrams due to vanishing propagators. Remaining terms in the perturbation series are resummed to produce a set of nonlinear, renormalizable integral equations which fix both the confining interaction and the physical propagators. Solutions demonstrate the self-consistency of the concepts of an infrared singularity and nonpropagating fields. The Wilson loop is calculated to provide a general proof of confinement. Bethe-Salpeter equations for quark-antiquark pairs and for two gluons have finite-energy solutions in the color-singlet channel. The choice of gauge is addressed in detail. Large classes of corrections to the model are discussed and shown to support self-consistency
Non linear self consistency of microtearing modes
International Nuclear Information System (INIS)
Garbet, X.; Mourgues, F.; Samain, A.
1987-01-01
The self consistency of a microtearing turbulence is studied in non linear regimes where the ergodicity of the flux lines determines the electron response. The current which sustains the magnetic perturbation via the Ampere law results from the combines action of the radial electric field in the frame where the island chains are static and of the thermal electron diamagnetism. Numerical calculations show that at usual values of β pol in Tokamaks the turbulence can create a diffusion coefficient of order ν th p 2 i where p i is the ion larmor radius and ν th the electron ion collision frequency. On the other hand, collisionless regimes involving special profiles of each mode near the resonant surface seem possible
Self-Consistent Scattering and Transport Calculations
Hansen, S. B.; Grabowski, P. E.
2015-11-01
An average-atom model with ion correlations provides a compact and complete description of atomic-scale physics in dense, finite-temperature plasmas. The self-consistent ionic and electronic distributions from the model enable calculation of x-ray scattering signals and conductivities for material across a wide range of temperatures and densities. We propose a definition for the bound electronic states that ensures smooth behavior of these measurable properties under pressure ionization and compare the predictions of this model with those of less consistent models for Be, C, Al, and Fe. SNL is a multi-program laboratory managed and operated by Sandia Corp., a wholly owned subsidiary of Lockheed Martin Corp, for the U.S. DoE NNSA under contract DE-AC04-94AL85000. This work was supported by DoE OFES Early Career grant FWP-14-017426.
THERMAL NON-EQUILIBRIUM REVISITED: A HEATING MODEL FOR CORONAL LOOPS
International Nuclear Information System (INIS)
Lionello, Roberto; Linker, Jon A.; Mikić, Zoran; Winebarger, Amy R.; Mok, Yung
2013-01-01
The location and frequency of events that heat the million-degree corona are still a matter of debate. One potential heating scenario is that the energy release is effectively steady and highly localized at the footpoints of coronal structures. Such an energy deposition drives thermal non-equilibrium solutions in the hydrodynamic equations in longer loops. This heating scenario was considered and discarded by Klimchuk et al. on the basis of their one-dimensional simulations as incapable of reproducing observational characteristics of loops. In this paper, we use three-dimensional simulations to generate synthetic emission images, from which we select and analyze six loops. The main differences between our model and that of Klimchuk et al. concern (1) dimensionality, (2) resolution, (3) geometrical properties of the loops, (4) heating function, and (5) radiative function. We find evidence, in this small set of simulated loops, that the evolution of the light curves, the variation of temperature along the loops, the density profile, and the absence of small-scale structures are compatible with the characteristics of observed loops. We conclude that quasi-steady footpoint heating that drives thermal non-equilibrium solutions cannot yet be ruled out as a viable heating scenario for EUV loops
Self consistent field theory of virus assembly
Li, Siyu; Orland, Henri; Zandi, Roya
2018-04-01
The ground state dominance approximation (GSDA) has been extensively used to study the assembly of viral shells. In this work we employ the self-consistent field theory (SCFT) to investigate the adsorption of RNA onto positively charged spherical viral shells and examine the conditions when GSDA does not apply and SCFT has to be used to obtain a reliable solution. We find that there are two regimes in which GSDA does work. First, when the genomic RNA length is long enough compared to the capsid radius, and second, when the interaction between the genome and capsid is so strong that the genome is basically localized next to the wall. We find that for the case in which RNA is more or less distributed uniformly in the shell, regardless of the length of RNA, GSDA is not a good approximation. We observe that as the polymer–shell interaction becomes stronger, the energy gap between the ground state and first excited state increases and thus GSDA becomes a better approximation. We also present our results corresponding to the genome persistence length obtained through the tangent–tangent correlation length and show that it is zero in case of GSDA but is equal to the inverse of the energy gap when using SCFT.
Self-consistent nuclear energy systems
International Nuclear Information System (INIS)
Shimizu, A.; Fujiie, Y.
1995-01-01
A concept of self-consistent energy systems (SCNES) has been proposed as an ultimate goal of the nuclear energy system in the coming centuries. SCNES should realize a stable and unlimited energy supply without endangering the human race and the global environment. It is defined as a system that realizes at least the following four objectives simultaneously: (a) energy generation -attain high efficiency in the utilization of fission energy; (b) fuel production - secure inexhaustible energy source: breeding of fissile material with the breeding ratio greater than one and complete burning of transuranium through recycling; (c) burning of radionuclides - zero release of radionuclides from the system: complete burning of transuranium and elimination of radioactive fission products by neutron capture reactions through recycling; (d) system safety - achieve system safety both for the public and experts: eliminate criticality-related safety issues by using natural laws and simple logic. This paper describes the concept of SCNES and discusses the feasibility of the system. Both ''neutron balance'' and ''energbalance'' of the system are introduced as the necessary conditions to be satisfied at least by SCNES. Evaluations made so far indicate that both the neutron balance and the energy balance can be realized by fast reactors but not by thermal reactors. Concerning the system safety, two safety concepts: ''self controllability'' and ''self-terminability'' are introduced to eliminate the criticality-related safety issues in fast reactors. (author)
Coronal temperatures, heating, and energy flow in a polar region of the sun at solar maximum
Withbroe, G. L.; Kohl, J. L.; Weiser, H.; Munro, R. H.
1985-01-01
The profiles of resonantly scattered Lyman-alpha coronal radiation have been used to determine the hydrogen kinetic temperature from 1.5 to 4 solar radius from the center of the polar region of the corona observed in 1980 at solar maximum. Hydrogen temperatures derived from the line profiles were found to decrease with height from 1.2 million K at r = 1.5 solar radii to 600,000 K at r = 4 solar radius. Comparison of the measured kinetic temperatures with predictions from a semiempirical two-fluid model showed evidence of a small amount of heating or a nonthermal contribution to the motions of coronal protons between 1.5 and 4 solar radius. The widths of the profiles confirmed an upper limit of 110 + or - 15 km/s on the rms magnitude of the line-of-sight component of velocities between 1.5 and 4 solar radius. Density measurements obtained in situ in the solar wind in the ecliptic were used to locate the sources of low speed and high-speed winds in the polar region. An eclipse photograph of the corona at solar maximum is provided.
Turbulence and Heating in the Flank and Wake Regions of a Coronal Mass Ejection
Fan, Siteng; He, Jiansen; Yan, Limei; Tomczyk, Steven; Tian, Hui; Song, Hongqiang; Wang, Linghua; Zhang, Lei
2018-01-01
As a coronal mass ejection (CME) passes, the flank and wake regions are typically strongly disturbed. Various instruments, including the Large Angle and Spectroscopic Coronagraph (LASCO), the Atmospheric Imaging Assembly (AIA), and the Coronal Multi-channel Polarimeter (CoMP), observed a CME close to the east limb on 26 October 2013. A hot ({≈} 10 MK) rising blob was detected on the east limb, with an initial ejection flow speed of {≈} 330 km s^{-1}. The magnetic structures on both sides and in the wake of the CME were strongly distorted, showing initiation of turbulent motions with Doppler-shift oscillations enhanced from {≈} ± 3 km s^{-1} to {≈} ± 15 km s^{-1} and effective thermal velocities from {≈} 30 km s^{-1} to {≈} 60 km s^{-1}, according to the CoMP observations at the Fe xiii line. The CoMP Doppler-shift maps suggest that the turbulence behaved differently at various heights; it showed clear wave-like torsional oscillations at lower altitudes, which are interpreted as the antiphase oscillation of an alternating red/blue Doppler shift across the strands at the flank. The turbulence seems to appear differently in the channels of different temperatures. Its turnover time was {≈} 1000 seconds for the Fe 171 Å channel, while it was {≈} 500 seconds for the Fe 193 Å channel. Mainly horizontal swaying rotations were observed in the Fe 171 Å channel, while more vertical vortices were seen in the Fe 193 Å channel. The differential-emission-measure profiles in the flank and wake regions have two components that evolve differently: the cool component decreased over time, evidently indicating a drop-out of cool materials due to ejection, while the hot component increased dramatically, probably because of the heating process, which is suspected to be a result of magnetic reconnection and turbulence dissipation. These results suggest a new turbulence-heating scenario of the solar corona and solar wind.
What Dominates the Coronal Emission Spectrum During the Cycle of Impulsive Heating and Cooling?
Bradshaw, Stephen J.; Klimchuk, James A.
2011-01-01
The smoking gun of small-scale, impulsive events heating the solar corona is expected to be the presence of a hot ( > 5 MK) plasma component. Evidence for this has been scarce, but has gradually begun to accumulate due to recent studies designed to constrain the high temperature part of the emission measure distribution. However, the detected hot component is often weaker than models predict and this is due in part to the common modeling assumption that the ionization balance remains in equilibrium. The launch of the latest generation of space-based observing instrumentation aboard Hinode and the Solar Dynamics Observatory (SDO) has brought the matter of the ionization state of the plasma firmly to the forefront. It is timely to consider exactly what emission current instruments would detect when observing a corona heated impulsively on small-scales by nanoflares. Only after we understand the full effects of nonequilibrium ionization can we draw meaningful conclusions about the plasma that is (or is not) present. We have therefore performed a series of hydrodynamic simulations for a variety of different nanoflare properties and initial conditions. Our study has led to several key conclusions. 1. Deviations from equilibrium are greatest for short-duration nanoflares at low initial coronal densities. 2. Hot emission lines are the most affected and are suppressed sometimes to the point of being invisible. 3. The emission detected in all of the SDO-AIA channels is generally dominated by warm, over-dense, cooling plasma. 4. It is difficult not to create coronal loops that emit strongly at 1.5 MK and in the range 2 to 5 MK, which are the most commonly observed kind, for a broad range of nanoflare scenarios. 5. The Fe XV (284.16 ) emission in most of our models is about 10 times brighter than the Ca XVII (192.82 ) emission, consistent with observations. Our overarching conclusion is that small-scale, impulsive heating inducing a nonequilibrium ionization state leads to
Towards a Self-Consistent Simulation Capability of Catastrophic Solar Energetic Particle Events
Sokolov, I.; Gombosi, T. I.; Bindi, V.; Borovikov, D.; Kota, J.; Giacalone, J.
2016-12-01
Space weather refers to variations in the space environment that can affect technologies or endanger human life and health. Solar energetic particle (SEP) events can affect communications and airline safety. Satellites are affected by radiation damage to electronics and to components that produce power and provide images. Sun and star sensors are blinded during large SEP events. Protons of ≳30 MeV penetrate spacesuits and spacecraft walls. Events, like that of August 4, 1972, would have been fatal to moon-walking astronauts. Catastrophic events typically are characterized by hard particle energy spectra potentially containing large fluxes of hundreds of MeV-GeV type particles. These super-energetic particles can penetrate even into the "safest" areas of spacecraft and produce induced radioactivity. We describe several technologies which are to be combined into a physics-based, self consistent model to understand and forecast the origin and evolution of SEP events: The Alfvén Wave Solar-wind Model (AWSoM) simulates the chromosphere-to-Earth system using separate electron and ion temperatures and separate parallel and perpendicular temperatures. It solves the energy equations including thermal conduction and coronal heating by Alfvén wave turbulence. It uses adaptive mesh refinement (AMR), which allows us to cover a broad range of spacial scales. The Eruptive Event Generator using the Gibson-Low flux-rope model (EEGGL) allows the user to select an active region on the sun, select the polarity inversion line where the eruption is observed, and insert a Gibson-Low flux-rope to produce eruption. The Multiple-Field-Lines-Advection Model for Particle Acceleration (M-FLAMPA) solves the particle transport equation along a multitude of interplanetary magnetic field lines originating from the Sun, using time-dependent parameters for the shock and magnetic field obtained from the MHD simulation. It includes a self-consistent coupling of Alfvén wave turbulence to the SEPs
Self-consistent calculation of atomic structure for mixture
International Nuclear Information System (INIS)
Meng Xujun; Bai Yun; Sun Yongsheng; Zhang Jinglin; Zong Xiaoping
2000-01-01
Based on relativistic Hartree-Fock-Slater self-consistent average atomic model, atomic structure for mixture is studied by summing up component volumes in mixture. Algorithmic procedure for solving both the group of Thomas-Fermi equations and the self-consistent atomic structure is presented in detail, and, some numerical results are discussed
Neugebauer, M.
1992-01-01
Clues to the nature of the mechanisms responsible for heating the corona and accelerating the solar wind can be obtained by contrasting the properties of the quasi-stationary and transient states of the solar wind. Substantial differences exist in the proton temperatures and anisotropies, the entropy, the field strength, the Alfvenicity of fluctuations in the field, the distribution of MHD discontinuities, and the helium abundance of the two types of flow. Those differences are displayed as a function of the solar wind speed. Several signals of wave acceleration can be found in the data for quasi-stationary flows. The relatively smooth velocity dependences of proton temperature, helium abundance, and frequency of occurrence of rotational discontinuities suggest that the acceleration mechanisms for flow from coronal holes, coronal streamers, and the quasi-stationary low-speed flows between them may be basically the same, differing only in degree.
Directory of Open Access Journals (Sweden)
Steven R. Cranmer
2009-09-01
Full Text Available Coronal holes are the darkest and least active regions of the Sun, as observed both on the solar disk and above the solar limb. Coronal holes are associated with rapidly expanding open magnetic fields and the acceleration of the high-speed solar wind. This paper reviews measurements of the plasma properties in coronal holes and how these measurements are used to reveal details about the physical processes that heat the solar corona and accelerate the solar wind. It is still unknown to what extent the solar wind is fed by flux tubes that remain open (and are energized by footpoint-driven wave-like fluctuations, and to what extent much of the mass and energy is input intermittently from closed loops into the open-field regions. Evidence for both paradigms is summarized in this paper. Special emphasis is also given to spectroscopic and coronagraphic measurements that allow the highly dynamic non-equilibrium evolution of the plasma to be followed as the asymptotic conditions in interplanetary space are established in the extended corona. For example, the importance of kinetic plasma physics and turbulence in coronal holes has been affirmed by surprising measurements from the UVCS instrument on SOHO that heavy ions are heated to hundreds of times the temperatures of protons and electrons. These observations point to specific kinds of collisionless Alfvén wave damping (i.e., ion cyclotron resonance, but complete theoretical models do not yet exist. Despite our incomplete knowledge of the complex multi-scale plasma physics, however, much progress has been made toward the goal of understanding the mechanisms ultimately responsible for producing the observed properties of coronal holes.
Self-consistent resummation scheme in scalar QED
International Nuclear Information System (INIS)
Carrington, M.E.
1993-01-01
In this paper we derive a resummation scheme that may be useful in the calculation of finite temperature processes that involve infrared-divergent diagrams. We discuss the inclusion of self-consistent vertices in calculations of diagrams with very soft external momenta. We work with scalar QED and show that the use of self-consistent vertices in the infrared limit of the retarded photon polarization tensor is equivalent to the resummation of dominant diagrams. To lowest order in an expansion about the parameter that is to be determined self-consistently, we find that the result is independent of this parameter and equal to the expression obtained with uncorrected lines and vertices. The motivation for this work is the hope that it will be possible to use this technique to perform self-consistent calculations beyond leading order
Self-consistent normal ordering of gauge field theories
International Nuclear Information System (INIS)
Ruehl, W.
1987-01-01
Mean-field theories with a real action of unconstrained fields can be self-consistently normal ordered. This leads to a considerable improvement over standard mean-field theory. This concept is applied to lattice gauge theories. First an appropriate real action mean-field theory is constructed. The equations determining the Gaussian kernel necessary for self-consistent normal ordering of this mean-field theory are derived. (author). 4 refs
Self-consistent electrodynamic scattering in the symmetric Bragg case
International Nuclear Information System (INIS)
Campos, H.S.
1988-01-01
We have analyzed the symmetric Bragg case, introducing a model of self consistent scattering for two elliptically polarized beams. The crystal is taken as a set of mathematical planes, each of them defined by a surface density of dipoles. We have considered the mesofield and the epifield differently from that of the Ewald's theory and, we assumed a plane of dipoles and the associated fields as a self consistent scattering unit. The exact analytical treatment when applied to any two neighbouring planes, results in a general and self consistent Bragg's equation, in terms of the amplitude and phase variations. The generalized solution for the set of N planes was obtained after introducing an absorption factor in the incident radiation, in two ways: (i) the analytical one, through a rule of field similarity, which says that the incidence occurs in both faces of the all crystal planes and also, through a matricial development with the Chebyshev polynomials; (ii) using the numerical solution we calculated, iteratively, the reflectivity, the reflection phase, the transmissivity, the transmission phase and the energy. The results are showed through reflection and transmission curves, which are characteristics as from kinematical as dynamical theories. The conservation of the energy results from the Ewald's self consistency principle is used. In the absorption case, the results show that it is not the only cause for the asymmetric form in the reflection curves. The model contains basic elements for a unified, microscope, self consistent, vectorial and exact formulation for interpretating the X ray diffraction in perfect crystals. (author)
Self-consistency and coherent effects in nonlinear resonances
International Nuclear Information System (INIS)
Hofmann, I.; Franchetti, G.; Qiang, J.; Ryne, R. D.
2003-01-01
The influence of space charge on emittance growth is studied in simulations of a coasting beam exposed to a strong octupolar perturbation in an otherwise linear lattice, and under stationary parameters. We explore the importance of self-consistency by comparing results with a non-self-consistent model, where the space charge electric field is kept 'frozen-in' to its initial values. For Gaussian distribution functions we find that the 'frozen-in' model results in a good approximation of the self-consistent model, hence coherent response is practically absent and the emittance growth is self-limiting due to space charge de-tuning. For KV or waterbag distributions, instead, strong coherent response is found, which we explain in terms of absence of Landau damping
Linear augmented plane wave method for self-consistent calculations
International Nuclear Information System (INIS)
Takeda, T.; Kuebler, J.
1979-01-01
O.K. Andersen has recently introduced a linear augmented plane wave method (LAPW) for the calculation of electronic structure that was shown to be computationally fast. A more general formulation of an LAPW method is presented here. It makes use of a freely disposable number of eigenfunctions of the radial Schroedinger equation. These eigenfunctions can be selected in a self-consistent way. The present formulation also results in a computationally fast method. It is shown that Andersen's LAPW is obtained in a special limit from the present formulation. Self-consistent test calculations for copper show the present method to be remarkably accurate. As an application, scalar-relativistic self-consistent calculations are presented for the band structure of FCC lanthanum. (author)
Turbulence and self-consistent fields in plasmas
International Nuclear Information System (INIS)
Pesme, D.; DuBois, D.
1981-01-01
This paper is concerned with the role of self-consistency of the electric field in 1-D plasma turbulence. We first show that in the non-self consistent electric field problem excellent agreement is found between numerical experiments and quasilinear theory whenever the imposed electric field Fourier components have random phase. A discrepancy is exhibited between quasilinear prediction and numerical simulations in the self-consistent electric field case. This discrepancy is explained by the creation of a long correlation time of the electric field resulting from a strong wave-particle interaction. A comparison is made between quasilinear and renormalized propagator theories, and the Dupree Clump theory. These three theories are found to be self-contradictory in the regime of strong wave-particle interaction because they make an a priori quasigaussian assumption for the electric field
SOCIAL COMPARISON, SELF-CONSISTENCY AND THE PRESENTATION OF SELF.
MORSE, STANLEY J.; GERGEN, KENNETH J.
TO DISCOVER HOW A PERSON'S (P) SELF-CONCEPT IS AFFECTED BY THE CHARACTERISTICS OF ANOTHER (O) WHO SUDDENLY APPEARS IN THE SAME SOCIAL ENVIRONMENT, SEVERAL QUESTIONNAIRES, INCLUDING THE GERGEN-MORSE (1967) SELF-CONSISTENCY SCALE AND HALF THE COOPERSMITH SELF-ESTEEM INVENTORY, WERE ADMINISTERED TO 78 UNDERGRADUATE MEN WHO HAD ANSWERED AN AD FOR WORK…
Analytical relativistic self-consistent-field calculations for atoms
International Nuclear Information System (INIS)
Barthelat, J.C.; Pelissier, M.; Durand, P.
1980-01-01
A new second-order representation of the Dirac equation is presented. This representation which is exact for a hydrogen atom is applied to approximate analytical self-consistent-field calculations for atoms. Results are given for the rare-gas atoms from helium to radon and for lead. The results compare favorably with numerical Dirac-Hartree-Fock solutions
Self-consistent modelling of resonant tunnelling structures
DEFF Research Database (Denmark)
Fiig, T.; Jauho, A.P.
1992-01-01
We report a comprehensive study of the effects of self-consistency on the I-V-characteristics of resonant tunnelling structures. The calculational method is based on a simultaneous solution of the effective-mass Schrödinger equation and the Poisson equation, and the current is evaluated...
The main features of self-consistent pressure profile formation
Razumova, K. A.; Andreev, V. F.; Dnestrovskij, A. Y.; Kislov, A. Y.; Kirneva, N. A.; Lysenko, S. E.; Pavlov, Y. D.; Poznyak, V. I.; Shafranov, T. V.; Trukhina, E. V.; Zhuravlev, V. A.; Donne, A. J. H.; Hogeweij, G. M. D.
2008-01-01
The self-organization of a tokamak plasma is a fundamental turbulent plasma phenomenon, which leads to the formation of a self-consistent pressure profile. This phenomenon has been investigated in the T-10 tokamak in different experiments, excluding profiles with pronounced transport barriers. It
Final Report Fermionic Symmetries and Self consistent Shell Model
International Nuclear Information System (INIS)
Zamick, Larry
2008-01-01
In this final report in the field of theoretical nuclear physics we note important accomplishments.We were confronted with 'anomoulous' magnetic moments by the experimetalists and were able to expain them. We found unexpected partial dynamical symmetries--completely unknown before, and were able to a large extent to expain them. The importance of a self consistent shell model was emphasized.
Understanding Coronal Heating through Time-Series Analysis and Nanoflare Modeling
Romich, Kristine; Viall, Nicholeen
2018-01-01
Periodic intensity fluctuations in coronal loops, a signature of temperature evolution, have been observed using the Atmospheric Imaging Assembly (AIA) aboard NASA’s Solar Dynamics Observatory (SDO) spacecraft. We examine the proposal that nanoflares, or impulsive bursts of energy release in the solar atmosphere, are responsible for the intensity fluctuations as well as the megakelvin-scale temperatures observed in the corona. Drawing on the work of Cargill (2014) and Bradshaw & Viall (2016), we develop a computer model of the energy released by a sequence of nanoflare events in a single magnetic flux tube. We then use EBTEL (Enthalpy-Based Thermal Evolution of Loops), a hydrodynamic model of plasma response to energy input, to simulate intensity as a function of time across the coronal AIA channels. We test the EBTEL output for periodicities using a spectral code based on Mann and Lees’ (1996) multitaper method and present preliminary results here. Our ultimate goal is to establish whether quasi-continuous or impulsive energy bursts better approximate the original SDO data.
Self-consistent studies of magnetic thin film Ni (001)
International Nuclear Information System (INIS)
Wang, C.S.; Freeman, A.J.
1979-01-01
Advances in experimental methods for studying surface phenomena have provided the stimulus to develop theoretical methods capable of interpreting this wealth of new information. Of particular interest have been the relative roles of bulk and surface contributions since in several important cases agreement between experiment and bulk self-consistent (SC) calculations within the local spin density functional formalism (LSDF) is lacking. We discuss our recent extension of the (LSDF) approach to the study of thin films (slabs) and the role of surface effects on magnetic properties. Results are described for Ni (001) films using our new SC numerical basis set LCAO method. Self-consistency within the superposition of overlapping spherical atomic charge density model is obtained iteratively with the atomic configuration as the adjustable parameter. Results are presented for the electronic charge densities and local density of states. The origin and role of (magnetic) surface states is discussed by comparison with results of earlier bulk calculations
Multiconfigurational self-consistent reaction field theory for nonequilibrium solvation
DEFF Research Database (Denmark)
Mikkelsen, Kurt V.; Cesar, Amary; Ågren, Hans
1995-01-01
We present multiconfigurational self-consistent reaction field theory and implementation for solvent effects on a solute molecular system that is not in equilibrium with the outer solvent. The approach incorporates two different polarization vectors for studying the influence of the solvent....... The solute, an atom, a molecule or a supermolecule, is assumed to be surrounded by a linear, homogeneous medium described by two polarization vector fields, the optical polarization vector and the inertial polarization vector fields. The optical polarization vector is always in equilibrium with the actual...... states influenced by the two types of polarization vectors. The general treatment of the correlation problem through the use of complete and restricted active space methodologies makes the present multiconfigurational self-consistent reaction field approach general in that it can handle any type of state...
Self-consistent T-matrix theory of superconductivity
Czech Academy of Sciences Publication Activity Database
Šopík, B.; Lipavský, Pavel; Männel, M.; Morawetz, K.; Matlock, P.
2011-01-01
Roč. 84, č. 9 (2011), 094529/1-094529/13 ISSN 1098-0121 R&D Projects: GA ČR GAP204/10/0212; GA ČR(CZ) GAP204/11/0015 Institutional research plan: CEZ:AV0Z10100521 Keywords : superconductivity * T-matrix * superconducting gap * restricted self-consistency Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.691, year: 2011
DEFF Research Database (Denmark)
Norman, Patrick; Bishop, David M.; Jensen, Hans Jørgen Aa
2001-01-01
Computationally tractable expressions for the evaluation of the linear response function in the multiconfigurational self-consistent field approximation were derived and implemented. The finite lifetime of the electronically excited states was considered and the linear response function was shown...... to be convergent in the whole frequency region. This was achieved through the incorporation of phenomenological damping factors that lead to complex response function values....
Lee, M. A.
1980-01-01
A recent paper by Wentzel, which claims to calculate a plasma heating rate due to dissipation of surface waves in an ideal magnetohydrodynamic (MHD) fluid, is found to be in error in interpretation. A well-established general theorem pertaining to the conservative ideal MHD fluid requires that the normal mode calculated by Wentzel be oscillatory in time. Within ideal MHD, dissipation and plasma heating are therefore impossible.
Steinolfson, Richard S.; Davila, Joseph M.
1993-01-01
Numerical simulations of the MHD equations for a fully compressible, low-beta, resistive plasma are used to study the resonance absorption process for the heating of coronal active region loops. Comparisons with more approximate analytic models show that the major predictions of the analytic theories are, to a large extent, confirmed by the numerical computations. The simulations demonstrate that the dissipation occurs primarily in a thin resonance layer. Some of the analytically predicted features verified by the simulations are (a) the position of the resonance layer within the initial inhomogeneity; (b) the importance of the global mode for a large range of loop densities; (c) the dependence of the resonance layer thickness and the steady-state heating rate on the dissipation coefficient; and (d) the time required for the resonance layer to form. In contrast with some previous analytic and simulation results, the time for the loop to reach a steady state is found to be the phase-mixing time rather than a dissipation time. This disagreement is shown to result from neglect of the existence of the global mode in some of the earlier analyses. The resonant absorption process is also shown to behave similar to a classical driven harmonic oscillator.
Self-consistent potential variations in magnetic wells
International Nuclear Information System (INIS)
Kesner, J.; Knorr, G.; Nicholson, D.R.
1981-01-01
Self-consistent electrostatic potential variations are considered in a spatial region of weak magnetic field, as in the proposed tandem mirror thermal barriers (with no trapped ions). For some conditions, equivalent to ion distributions with a sufficiently high net drift speed along the magnetic field, the desired potential depressions are found. When the net drift speed is not high enough, potential depressions are found only in combination with strong electric fields on the boundaries of the system. These potential depressions are not directly related to the magnetic field depression. (author)
Multiconfigurational self-consistent reaction field theory for nonequilibrium solvation
DEFF Research Database (Denmark)
Mikkelsen, Kurt V.; Cesar, Amary; Ågren, Hans
1995-01-01
We present multiconfigurational self-consistent reaction field theory and implementation for solvent effects on a solute molecular system that is not in equilibrium with the outer solvent. The approach incorporates two different polarization vectors for studying the influence of the solvent......, open-shell, excited, and transition states. We demonstrate the theory by computing solvatochromatic shifts in optical/UV spectra of some small molecules and electron ionization and electron detachment energies of the benzene molecule. It is shown that the dependency of the solvent induced affinity...
Mean-field theory and self-consistent dynamo modeling
International Nuclear Information System (INIS)
Yoshizawa, Akira; Yokoi, Nobumitsu
2001-12-01
Mean-field theory of dynamo is discussed with emphasis on the statistical formulation of turbulence effects on the magnetohydrodynamic equations and the construction of a self-consistent dynamo model. The dynamo mechanism is sought in the combination of the turbulent residual-helicity and cross-helicity effects. On the basis of this mechanism, discussions are made on the generation of planetary magnetic fields such as geomagnetic field and sunspots and on the occurrence of flow by magnetic fields in planetary and fusion phenomena. (author)
A self-consistent theory of the magnetic polaron
International Nuclear Information System (INIS)
Marvakov, D.I.; Kuzemsky, A.L.; Vlahov, J.P.
1984-10-01
A finite temperature self-consistent theory of magnetic polaron in the s-f model of ferromagnetic semiconductors is developed. The calculations are based on the novel approach of the thermodynamic two-time Green function methods. This approach consists in the introduction of the ''irreducible'' Green functions (IGF) and derivation of the exact Dyson equation and exact self-energy operator. It is shown that IGF method gives a unified and natural approach for a calculation of the magnetic polaron states by taking explicitly into account the damping effects and finite lifetime. (author)
Self-consistent calculation of 208Pb spectrum
International Nuclear Information System (INIS)
Pal'chik, V.V.; Pyatov, N.I.; Fayans, S.A.
1981-01-01
The self-consistent model with exact accounting for one-particle continuum is applied to calculate all discrete particle-hole natural parity states with 2 208 Pb nucleus (up to the neutron emission threshold, 7.4 MeV). Contributions to the energy-weighted sum rules S(EL) of the first collective levels and total contributions of all discrete levels are evaluated. Most strongly the collectivization is manifested for octupole states. With multipolarity growth L contributions of discrete levels are sharply reduced. The results are compared with other models and the experimental data obtained in (e, e'), (p, p') reactions and other data [ru
A Self-consistent Model of the Solar Tachocline
Wood, T. S.; Brummell, N. H.
2018-02-01
We present a local but fully nonlinear model of the solar tachocline, using three-dimensional direct numerical simulations. The tachocline forms naturally as a statistically steady balance between Coriolis, pressure, buoyancy, and Lorentz forces beneath a turbulent convection zone. Uniform rotation is maintained in the radiation zone by a primordial magnetic field, which is confined by meridional flows in the tachocline and convection zone. Such balanced dynamics has previously been found in idealized laminar models, but never in fully self-consistent numerical simulations.
Applicability of self-consistent mean-field theory
International Nuclear Information System (INIS)
Guo Lu; Sakata, Fumihiko; Zhao Enguang
2005-01-01
Within the constrained Hartree-Fock (CHF) theory, an analytic condition is derived to estimate whether a concept of the self-consistent mean field is realized in the level repulsive region. The derived condition states that an iterative calculation of the CHF equation does not converge when the quantum fluctuations coming from two-body residual interaction and quadrupole deformation become larger than a single-particle energy difference between two avoided crossing orbits. By means of numerical calculation, it is shown that the analytic condition works well for a realistic case
Energy Technology Data Exchange (ETDEWEB)
Oran, R. [Department of Earth, Atmospheric, and Planetary Sciences, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, 02139 (United States); Landi, E.; Holst, B. van der; Sokolov, I. V.; Gombosi, T. I., E-mail: roran@mit.edu [Atmospheric, Oceanic and Atmospheric Sciences, University of Michigan, 2455 Hayward, Ann Arbor, MI, 48109 (United States)
2017-08-20
We test the predictions of the Alfvén Wave Solar Model (AWSoM), a global wave-driven magnetohydrodynamic (MHD) model of the solar atmosphere, against high-resolution spectra emitted by the quiescent off-disk solar corona. AWSoM incorporates Alfvén wave propagation and dissipation in both closed and open magnetic field lines; turbulent dissipation is the only heating mechanism. We examine whether this mechanism is consistent with observations of coronal EUV emission by combining model results with the CHIANTI atomic database to create synthetic line-of-sight spectra, where spectral line widths depend on thermal and wave-related ion motions. This is the first time wave-induced line broadening is calculated from a global model with a realistic magnetic field. We used high-resolution SUMER observations above the solar west limb between 1.04 and 1.34 R {sub ⊙} at the equator, taken in 1996 November. We obtained an AWSoM steady-state solution for the corresponding period using a synoptic magnetogram. The 3D solution revealed a pseudo-streamer structure transversing the SUMER line of sight, which contributes significantly to the emission; the modeled electron temperature and density in the pseudo-streamer are consistent with those observed. The synthetic line widths and the total line fluxes are consistent with the observations for five different ions. Further, line widths that include the contribution from the wave-induced ion motions improve the correspondence with observed spectra for all ions. We conclude that the turbulent dissipation assumed in the AWSoM model is a viable candidate for explaining coronal heating, as it is consistent with several independent measured quantities.
Coronal Heating Topology: The Interplay of Current Sheets and Magnetic Field Lines
International Nuclear Information System (INIS)
Rappazzo, A. F.; Velli, M.; Matthaeus, W. H.; Ruffolo, D.; Servidio, S.
2017-01-01
The magnetic topology and field line random walk (FLRW) properties of a nanoflare-heated and magnetically confined corona are investigated in the reduced magnetohydrodynamic regime. Field lines originating from current sheets form coherent structures, called current sheet connected (CSC) regions, which extend around them. CSC FLRW is strongly anisotropic, with preferential diffusion along the current sheets’ in-plane length. CSC FLRW properties remain similar to those of the entire ensemble but exhibit enhanced mean square displacements and separations due to the stronger magnetic field intensities in CSC regions. The implications for particle acceleration and heat transport in the solar corona and wind, and for solar moss formation are discussed.
Coronal Heating Topology: The Interplay of Current Sheets and Magnetic Field Lines
Energy Technology Data Exchange (ETDEWEB)
Rappazzo, A. F.; Velli, M. [Department of Earth, Planetary, and Space Sciences, UCLA, Los Angeles, CA 90095 (United States); Matthaeus, W. H. [Bartol Research Institute, Department of Physics and Astronomy, University of Delaware, Newark, DE 19716 (United States); Ruffolo, D. [Department of Physics, Faculty of Science, Mahidol University, Bangkok 10400 (Thailand); Servidio, S., E-mail: rappazzo@ucla.edu [Dipartimento di Fisica, Università della Calabria, Cosenza I-87036 (Italy)
2017-07-20
The magnetic topology and field line random walk (FLRW) properties of a nanoflare-heated and magnetically confined corona are investigated in the reduced magnetohydrodynamic regime. Field lines originating from current sheets form coherent structures, called current sheet connected (CSC) regions, which extend around them. CSC FLRW is strongly anisotropic, with preferential diffusion along the current sheets’ in-plane length. CSC FLRW properties remain similar to those of the entire ensemble but exhibit enhanced mean square displacements and separations due to the stronger magnetic field intensities in CSC regions. The implications for particle acceleration and heat transport in the solar corona and wind, and for solar moss formation are discussed.
Fully self-consistent GW calculations for molecules
DEFF Research Database (Denmark)
Rostgaard, Carsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer
2010-01-01
We calculate single-particle excitation energies for a series of 34 molecules using fully self-consistent GW, one-shot G0W0, Hartree-Fock (HF), and hybrid density-functional theory (DFT). All calculations are performed within the projector-augmented wave method using a basis set of Wannier...... functions augmented by numerical atomic orbitals. The GW self-energy is calculated on the real frequency axis including its full frequency dependence and off-diagonal matrix elements. The mean absolute error of the ionization potential (IP) with respect to experiment is found to be 4.4, 2.6, 0.8, 0.4, and 0.......5 eV for DFT-PBE, DFT-PBE0, HF, G0W0[HF], and self-consistent GW, respectively. This shows that although electronic screening is weak in molecular systems, its inclusion at the GW level reduces the error in the IP by up to 50% relative to unscreened HF. In general GW overscreens the HF energies...
Rubio da Costa, F.; Effenberger, F.; Kleint, L.
2017-12-01
Using RHESSI X-ray observations and EUV differential emission measures (DEM) inferred from SDO/AIA observations, we investigate thermal and non-thermal heating processes associated with coronal emission. We focus on partially occulted flares located near the solar limb, without contamination of the strong non-thermal footpoint emission, which allows us to investigate non-thermal sources at/near the loop top.This study allows us to temporally and spatially correlate the non-thermal hard X-ray signatures with temperature dependent heating processes, with the goal of constraining the physical processes of energy release in the upper corona. This leads to a better understanding of the thermal response of the upper atmosphere to non-thermal processes during solar flares. Our preliminary results show that low coronal loops are denser and cooler than higher coronal emissions. Higher coronal emissions are associated to low energy (6-12 keV) thermal emission and lower loops, to non-thermal (24-26 keV) emission.
The role of turbulence in coronal heating and solar wind expansion.
Cranmer, Steven R; Asgari-Targhi, Mahboubeh; Miralles, Mari Paz; Raymond, John C; Strachan, Leonard; Tian, Hui; Woolsey, Lauren N
2015-05-13
Plasma in the Sun's hot corona expands into the heliosphere as a supersonic and highly magnetized solar wind. This paper provides an overview of our current understanding of how the corona is heated and how the solar wind is accelerated. Recent models of magnetohydrodynamic turbulence have progressed to the point of successfully predicting many observed properties of this complex, multi-scale system. However, it is not clear whether the heating in open-field regions comes mainly from the dissipation of turbulent fluctuations that are launched from the solar surface, or whether the chaotic 'magnetic carpet' in the low corona energizes the system via magnetic reconnection. To help pin down the physics, we also review some key observational results from ultraviolet spectroscopy of the collisionless outer corona. © 2015 The Author(s) Published by the Royal Society. All rights reserved.
Self-consistent, relativistic, ferromagnetic band structure of gadolinium
International Nuclear Information System (INIS)
Harmon, B.N.; Schirber, J.; Koelling, D.D.
1977-01-01
An initial self-consistent calculation of the ground state magnetic band structure of gadolinium is described. A linearized APW method was used which included all single particle relativistic effects except spin-orbit coupling. The spin polarized potential was obtained in the muffin-tin form using the local spin density approximation for exchange and correlation. The most striking and unorthodox aspect of the results is the position of the 4f spin-down ''bands'' which are required to float just on top of the Fermi level in order to obtain convergence. If the 4f states (l = 3 resonance) are removed from the occupied region of the conduction bands the magnetic moment is approximately .75 μ/sub B//atom; however, as the 4f spin-down states are allowed to find their own position they hybridize with the conduction bands at the Fermi level and the moment becomes smaller. Means of improving the calculation are discussed
Self-Consistent Green Function Method in Nuclear Matter
Directory of Open Access Journals (Sweden)
Khaled S. A. Hassaneen
2013-01-01
Full Text Available Symmetric nuclear matter is studied within the Brueckner-Hartree-Fock (BHF approach and is extending to the self-consistent Green’s function (SCGF approach. Both approximations are based on realistic nucleon-nucleon interaction; that is, CD-Bonn potential is chosen. The single-particle energy and the equation of state (EOS are studied. The Fermi energy at the saturation point fulfills the Hugenholtz-Van Hove theorem. In comparison to the BHF approach, the binding energy is reduced and the EOS is stiffer. Both the SCGF and BHF approaches do not reproduce the correct saturation point. A simple contact interaction should be added to SCGF and BHF approaches to reproduce the empirical saturation point.
Self-Consistent Dynamical Model of the Broad Line Region
International Nuclear Information System (INIS)
Czerny, Bozena; Li, Yan-Rong; Sredzinska, Justyna; Hryniewicz, Krzysztof; Panda, Swayam; Wildy, Conor; Karas, Vladimir
2017-01-01
We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency) and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.
Self-consistent modeling of amorphous silicon devices
International Nuclear Information System (INIS)
Hack, M.
1987-01-01
The authors developed a computer model to describe the steady-state behaviour of a range of amorphous silicon devices. It is based on the complete set of transport equations and takes into account the important role played by the continuous distribution of localized states in the mobility gap of amorphous silicon. Using one set of parameters they have been able to self-consistently simulate the current-voltage characteristics of p-i-n (or n-i-p) solar cells under illumination, the dark behaviour of field-effect transistors, p-i-n diodes and n-i-n diodes in both the ohmic and space charge limited regimes. This model also describes the steady-state photoconductivity of amorphous silicon, in particular, its dependence on temperature, doping and illumination intensity
Self-consistent Langmuir waves in resonantly driven thermal plasmas
International Nuclear Information System (INIS)
Lindberg, R. R.; Charman, A. E.; Wurtele, J. S.
2007-01-01
The longitudinal dynamics of a resonantly driven Langmuir wave are analyzed in the limit that the growth of the electrostatic wave is slow compared to the bounce frequency. Using simple physical arguments, the nonlinear distribution function is shown to be nearly invariant in the canonical particle action, provided both a spatially uniform term and higher-order spatial harmonics are included along with the fundamental in the longitudinal electric field. Requirements of self-consistency with the electrostatic potential yield the basic properties of the nonlinear distribution function, including a frequency shift that agrees closely with driven, electrostatic particle simulations over a range of temperatures. This extends earlier work on nonlinear Langmuir waves by Morales and O'Neil [G. J. Morales and T. M. O'Neil, Phys. Rev. Lett. 28, 417 (1972)] and Dewar [R. L. Dewar, Phys. Plasmas 15, 712 (1972)], and could form the basis of a reduced kinetic treatment of plasma dynamics for accelerator applications or Raman backscatter
Self-consistent simulation of the CSR effect
International Nuclear Information System (INIS)
Li, R.; Bohn, C.L.; Bisogano, J.J.
1998-01-01
When a microbunch with high charge traverses a curved trajectory, the curvature-induced bunch self-interaction, by way of coherent synchrotron radiation (CSR) and space-charge forces, may cause serious emittance degradation. In this paper, the authors present a self-consistent simulation for the study of the impact of CSR on beam optics. The dynamics of the bunch under the influence of the CSR forces is simulated using macroparticles, where the CSR force in turn depends on the history of bunch dynamics in accordance with causality. The simulation is benchmarked with analytical results obtained for a rigid-line bunch. Here they present the algorithm used in the simulation, along with the simulation results obtained for bending systems in the Jefferson Lab (JLab) free-electron-laser (FEL) lattice
A self-consistent spin-diffusion model for micromagnetics
Abert, Claas
2016-12-17
We propose a three-dimensional micromagnetic model that dynamically solves the Landau-Lifshitz-Gilbert equation coupled to the full spin-diffusion equation. In contrast to previous methods, we solve for the magnetization dynamics and the electric potential in a self-consistent fashion. This treatment allows for an accurate description of magnetization dependent resistance changes. Moreover, the presented algorithm describes both spin accumulation due to smooth magnetization transitions and due to material interfaces as in multilayer structures. The model and its finite-element implementation are validated by current driven motion of a magnetic vortex structure. In a second experiment, the resistivity of a magnetic multilayer structure in dependence of the tilting angle of the magnetization in the different layers is investigated. Both examples show good agreement with reference simulations and experiments respectively.
Self-Consistent Dynamical Model of the Broad Line Region
Energy Technology Data Exchange (ETDEWEB)
Czerny, Bozena [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Li, Yan-Rong [Key Laboratory for Particle Astrophysics, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing (China); Sredzinska, Justyna; Hryniewicz, Krzysztof [Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Panda, Swayam [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Copernicus Astronomical Center, Polish Academy of Sciences, Warsaw (Poland); Wildy, Conor [Center for Theoretical Physics, Polish Academy of Sciences, Warsaw (Poland); Karas, Vladimir, E-mail: bcz@cft.edu.pl [Astronomical Institute, Czech Academy of Sciences, Prague (Czech Republic)
2017-06-22
We develop a self-consistent description of the Broad Line Region based on the concept of a failed wind powered by radiation pressure acting on a dusty accretion disk atmosphere in Keplerian motion. The material raised high above the disk is illuminated, dust evaporates, and the matter falls back toward the disk. This material is the source of emission lines. The model predicts the inner and outer radius of the region, the cloud dynamics under the dust radiation pressure and, subsequently, the gravitational field of the central black hole, which results in asymmetry between the rise and fall. Knowledge of the dynamics allows us to predict the shapes of the emission lines as functions of the basic parameters of an active nucleus: black hole mass, accretion rate, black hole spin (or accretion efficiency) and the viewing angle with respect to the symmetry axis. Here we show preliminary results based on analytical approximations to the cloud motion.
Calculation of the self-consistent current distribution and coupling of an RF antenna array
International Nuclear Information System (INIS)
Ballico, M.; Puri, S.
1993-10-01
A self-consistent calculation of the antenna current distribution and fields in an axisymmetric cylindrical geometry for the ICRH antenna-plasma coupling problem is presented. Several features distinguish this calculation from other codes presently available. 1. Variational form: The formulation of the self consistent antenna current problem in a variational form allows good convergence and stability of the algorithm. 2. Multiple straps: Allows modelling of (a) the current distribution across the width of the strap (by dividing it up into sub straps) (b) side limiters and septum (c) antenna cross-coupling. 3. Analytic calculation of the antenna field and calculation of the antenna self-consistent current distribution, (given the surface impedance matrix) gives rapid calculation. 4. Framed for parallel computation on several different parallel architectures (as well as serial) gives a large speed improvement to the user. Results are presented for both Alfven wave heating and current drive antenna arrays, showing the optimal coupling to be achieved for toroidal mode numbers 8< n<10 for typical ASDEX upgrade plasmas. Simulations of the ASDEX upgrade antenna show the importance of the current distribution across the antenna and of image currents flowing in the side limiters, and an analysis of a proposed asymmetric ITER antenna is presented. (orig.)
Coronal Waves and Oscillations
Directory of Open Access Journals (Sweden)
Nakariakov Valery M.
2005-07-01
Full Text Available Wave and oscillatory activity of the solar corona is confidently observed with modern imaging and spectral instruments in the visible light, EUV, X-ray and radio bands, and interpreted in terms of magnetohydrodynamic (MHD wave theory. The review reflects the current trends in the observational study of coronal waves and oscillations (standing kink, sausage and longitudinal modes, propagating slow waves and fast wave trains, the search for torsional waves, theoretical modelling of interaction of MHD waves with plasma structures, and implementation of the theoretical results for the mode identification. Also the use of MHD waves for remote diagnostics of coronal plasma - MHD coronal seismology - is discussed and the applicability of this method for the estimation of coronal magnetic field, transport coefficients, fine structuring and heating function is demonstrated.
MULTI-SHELL MAGNETIC TWISTERS AS A NEW MECHANISM FOR CORONAL HEATING AND SOLAR WIND ACCELERATION
Energy Technology Data Exchange (ETDEWEB)
Murawski, K. [Group of Astrophysics, Institute of Physics, UMCS, ul. Radziszewskiego 10, 20-031 Lublin (Poland); Srivastava, A. K.; Dwivedi, B. N. [Department of Physics, Indian Institute of Technology (Banaras Hindu University), Varanasi-221005 (India); Musielak, Z. E. [Department of Physics, University of Texas at Arlington, Arlington, TX 76019 (United States)
2015-07-20
We perform numerical simulations of impulsively generated Alfvén waves in an isolated photospheric flux tube and explore the propagation of these waves along such magnetic structure that extends from the photosphere, where these waves are triggered, to the solar corona, and we analyze resulting magnetic shells. Our model of the solar atmosphere is constructed by adopting the temperature distribution based on the semi-empirical model and specifying the curved magnetic field lines that constitute the magnetic flux tube that is rooted in the solar photosphere. The evolution of the solar atmosphere is described by 3D, ideal MHD equations that are numerically solved by the FLASH code. Our numerical simulations reveal, based on the physical properties of the multi-shell magnetic twisters and the amount of energy and momentum associated with them, that these multi-shell magnetic twisters may be responsible for the observed heating of the lower solar corona and for the formation of solar wind. Moreover, it is likely that the existence of these twisters can be verified by high-resolution observations.
A new mixed self-consistent field procedure
Alvarez-Ibarra, A.; Köster, A. M.
2015-10-01
A new approach for the calculation of three-centre electronic repulsion integrals (ERIs) is developed, implemented and benchmarked in the framework of auxiliary density functional theory (ADFT). The so-called mixed self-consistent field (mixed SCF) divides the computationally costly ERIs in two sets: far-field and near-field. Far-field ERIs are calculated using the newly developed double asymptotic expansion as in the direct SCF scheme. Near-field ERIs are calculated only once prior to the SCF procedure and stored in memory, as in the conventional SCF scheme. Hence the name, mixed SCF. The implementation is particularly powerful when used in parallel architectures, since all RAM available are used for near-field ERI storage. In addition, the efficient distribution algorithm performs minimal intercommunication operations between processors, avoiding a potential bottleneck. One-, two- and three-dimensional systems are used for benchmarking, showing substantial time reduction in the ERI calculation for all of them. A Born-Oppenheimer molecular dynamics calculation for the Na+55 cluster is also shown in order to demonstrate the speed-up for small systems achievable with the mixed SCF. Dedicated to Sourav Pal on the occasion of his 60th birthday.
First principles molecular dynamics without self-consistent field optimization
International Nuclear Information System (INIS)
Souvatzis, Petros; Niklasson, Anders M. N.
2014-01-01
We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations
Self-consistent estimates of magnetic fields from reheating
International Nuclear Information System (INIS)
Calzetta, Esteban; Kandus, Alejandra
2002-01-01
We investigate the generation of primordial magnetic fields from stochastic currents created by the cosmological transition from inflation to reheating. We consider N charged scalar fields coupled to the electromagnetic field in a curved background and derive self-consistent equations for the evolution of the two point functions of the fields, which in the large-N limit give a decoupled set for the scalar and the electromagnetic functions. The main contribution to the electric current comes from the infrared portion of the spectrum of created particles, and in this limit the damping of the magnetic field is not due to normal conductivity but to London currents in the scalar field. For a given set of the physical parameters of the problem, we solved this equation numerically and found that, due to the fact that the London currents are oscillating, the field actually grows exponentially during the time interval in which our large-N limit equations are valid. Although for the chosen parameters the induced field is weak, the present uncertainties on their actual values leave open the possibility for higher intensities
Self-consistent evolution models for slow CMEs up to 1 AU
Poedts, S.; Pomoell, J.; Zuccarello, F. P.
2016-02-01
Our 2.5D (axi-symmetric) self-consistent numerical magneto-hydrodynamics (MHD) models for the onset of CMEs under solar minimum conditions and for their interaction with coronal streamers and subsequent evolution up to 1 AU, are presented and discussed. The CMEs are initiated by magnetic flux emergence/cancellation and/or by shearing the magnetic foot points of a magnetic arcade which is positioned above or below the equatorial plane and embedded in a larger helmet streamer. The overlying magnetic streamer field then deflects the CMEs towards the equator, and the deflection path is dependent on the driving velocity. The core of the CME, created during the onset process, contains a magnetic flux rope and the synthetic white light images often show the typical three-part CME structure. The resulting CMEs propagate only slightly faster than the background solar wind, but this small excess speed is high enough to create a fast MHD shock wave from a distance of 0.25 AU onwards. At 1 AU, the plasma shows the typical characteristics of a magnetic cloud, and the simulated data are in good agreement with the (ACE) observations.
Self-consistent Modeling of Elastic Anisotropy in Shale
Kanitpanyacharoen, W.; Wenk, H.; Matthies, S.; Vasin, R.
2012-12-01
Elastic anisotropy in clay-rich sedimentary rocks has increasingly received attention because of significance for prospecting of petroleum deposits, as well as seals in the context of nuclear waste and CO2 sequestration. The orientation of component minerals and pores/fractures is a critical factor that influences elastic anisotropy. In this study, we investigate lattice and shape preferred orientation (LPO and SPO) of three shales from the North Sea in UK, the Qusaiba Formation in Saudi Arabia, and the Officer Basin in Australia (referred to as N1, Qu3, and L1905, respectively) to calculate elastic properties and compare them with experimental results. Synchrotron hard X-ray diffraction and microtomography experiments were performed to quantify LPO, weight proportions, and three-dimensional SPO of constituent minerals and pores. Our preliminary results show that the degree of LPO and total amount of clays are highest in Qu3 (3.3-6.5 m.r.d and 74vol%), moderately high in N1 (2.4-5.6 m.r.d. and 70vol%), and lowest in L1905 (2.3-2.5 m.r.d. and 42vol%). In addition, porosity in Qu3 is as low as 2% while it is up to 6% in L1605 and 8% in N1, respectively. Based on this information and single crystal elastic properties of mineral components, we apply a self-consistent averaging method to calculate macroscopic elastic properties and corresponding seismic velocities for different shales. The elastic model is then compared with measured acoustic velocities on the same samples. The P-wave velocities measured from Qu3 (4.1-5.3 km/s, 26.3%Ani.) are faster than those obtained from L1905 (3.9-4.7 km/s, 18.6%Ani.) and N1 (3.6-4.3 km/s, 17.7%Ani.). By making adjustments for pore structure (aspect ratio) and single crystal elastic properties of clay minerals, a good agreement between our calculation and the ultrasonic measurement is obtained.
Self-consistent treatment of transport in tokamak plasmas
International Nuclear Information System (INIS)
Wilhelmsson, H.
1993-01-01
A theory is developed for the dynamics of tokamak plasmas considering the influence of combinations of simultaneous heating processes (alpha particle, auxiliary and ohmic), thermal conduction and particle diffusion, thermal and particle pinches, thermalization of alpha particles as well as the effects of boundary conditions. The analysis is based on a generalization of the central expansion technique which transforms the partial differential equations to a set of nonlinear coupled equations in time for the dynamic variables. Oscillatory solutions are found, but only in the presence of alpha particle heating. Examples of extensive computer simulations are included which support and complete the analytic results. (26 refs.)
Self-consistent analysis of radial electric field and fast ion losses in CHS Torsatron/Heliotron
International Nuclear Information System (INIS)
Sanuki, H.; Itoh, K.; Itoh, S.
1992-09-01
A self-consistent analysis is developed to determine the radial electric field and loss cone boundary in Torsatron/Heliotron plasmas under the influence of non-classical ion losses such as the loss cone loss ans charge exchange loss of fast ions with neutrals. Analysis is applied to the NBI heated plasmas in the Compact Helical System (CHS) device. Comparison is made between theoretical results and experimental observations. The increased ion particle losses caused by the orbit loss and charge exchange loss with neutrals make the radial electric field more negative than the value of purely neoclassical calculation. The partition of the injection energy among the shine through, direct orbit loss, change exchange loss and bulk heating is evaluated by using the self-consistent electric field profile. On-going experiments in the CHS device are briefly introduced. (author)
Zhang, Jie; Bastian, Timothy
2014-01-01
This volume is a collection of research articles on the subject of the solar corona, and particularly, coronal magnetism. The book was motivated by the Workshop on Coronal Magnetism: Connecting Models to Data and the Corona to the Earth, which was held 21 - 23 May 2012 in Boulder, Colorado, USA. This workshop was attended by approximately 60 researchers. Articles from this meeting are contained in this topical issue, but the topical issue also contains contributions from researchers not present at the workshop. This volume is aimed at researchers and graduate students active in solar physics. Originally published in Solar Physics, Vol. 288, Issue 2, 2013 and Vol. 289, Issue 8, 2014.
Dynamical behaviour in coronal loops
Haisch, Bernhard M.
1986-01-01
Rapid variability has been found in two active region coronal loops observed by the X-ray Polychromator (XRP) and the Hard X-ray Imaging Spectrometer (HXIS) onboard the Solar Maximum Mission (SMM). There appear to be surprisingly few observations of the short-time scale behavior of hot loops, and the evidence presented herein lends support to the hypothesis that coronal heating may be impulsive and driven by flaring.
Self-consistent Pauli corrections in Brueckner-Hartree-Fock calculations
Braley, R. C.; Ford, W. F.
1972-01-01
A scheme is introduced which makes it feasible to make completely self-consistent Brueckner-Hartree-Fock (BHF) and renormalized BHF calculations for spherical, closed-shell and axially-symmetric deformed nuclei. The usual requirement or orbital self-consistency has been imposed, as well as self-consistency in the starting energies and occupation probabilities. Previously, only approximate forms were used for the Pauli operator. This approximation is removed and a method for making the necessary Pauli corrections to the reaction matrix during the approach to self-consistency is presented. A discussion of the symmetries which reduce the problem to one of manageable proportions is included.
Directory of Open Access Journals (Sweden)
H. Fujiwara
2014-07-01
Full Text Available Simultaneous measurements of the polar ionosphere with the European Incoherent Scatter (EISCAT ultra high frequency (UHF radar at Tromsø and the EISCAT Svalbard radar (ESR at Longyearbyen were made during 07:00–12:00 UT on 12 March 2012. During the period, the Advanced Composition Explorer (ACE spacecraft observed changes in the solar wind which were due to the arrival of coronal mass ejection (CME effects associated with the 10 March M8.4 X-ray event. The solar wind showed two-step variations which caused strong ionospheric heating. First, the arrival of shock structures in the solar wind with enhancements of density and velocity, and a negative interplanetary magnetic field (IMF-Bz component caused strong ionospheric heating around Longyearbyen; the ion temperature at about 300 km increased from about 1100 to 3400 K over Longyearbyen while that over Tromsø increased from about 1050 to 1200 K. After the passage of the shock structures, the IMF-Bz component showed positive values and the solar wind speed and density also decreased. The second strong ionospheric heating occurred after the IMF-Bz component showed negative values again; the negative values lasted for more than 1.5 h. This solar wind variation caused stronger heating of the ionosphere in the lower latitudes than higher latitudes, suggesting expansion of the auroral oval/heating region to the lower latitude region. This study shows an example of the CME-induced dayside ionospheric heating: a short-duration and very large rise in the ion temperature which was closely related to the polar cap size and polar cap potential variations as a result of interaction between the solar wind and the magnetosphere.
Conservation laws for a super G-J hierarchy with self-consistent sources
Wang, Hui; Xia, Tie-cheng
2012-02-01
Based on a well known super Lie algebra, a super integrable system is presented. Then, the super G-J hierarchy with self-consistent sources are obtained. Furthermore, we establish the infinitely many conservation laws for the integrable super G-J hierarchy. The methods derived by us can be generalized to other nonlinear equations hierarchies with self-consistent sources.
A self-consistent semiclassical sum rule approach to the average properties of giant resonances
International Nuclear Information System (INIS)
Li Guoqiang; Xu Gongou
1990-01-01
The average energies of isovector giant resonances and the widths of isoscalar giant resonances are evaluated with the help of a self-consistent semiclassical Sum rule approach. The comparison of the present results with the experimental ones justifies the self-consistent semiclassical sum rule approach to the average properties of giant resonances
Study of impurity effects on CFETR steady-state scenario by self-consistent integrated modeling
Shi, Nan; Chan, Vincent S.; Jian, Xiang; Li, Guoqiang; Chen, Jiale; Gao, Xiang; Shi, Shengyu; Kong, Defeng; Liu, Xiaoju; Mao, Shifeng; Xu, Guoliang
2017-12-01
Impurity effects on fusion performance of China fusion engineering test reactor (CFETR) due to extrinsic seeding are investigated. An integrated 1.5D modeling workflow evolves plasma equilibrium and all transport channels to steady state. The one modeling framework for integrated tasks framework is used to couple the transport solver, MHD equilibrium solver, and source and sink calculations. A self-consistent impurity profile constructed using a steady-state background plasma, which satisfies quasi-neutrality and true steady state, is presented for the first time. Studies are performed based on an optimized fully non-inductive scenario with varying concentrations of Argon (Ar) seeding. It is found that fusion performance improves before dropping off with increasing {{Z}\\text{eff}} , while the confinement remains at high level. Further analysis of transport for these plasmas shows that low-k ion temperature gradient modes dominate the turbulence. The decrease in linear growth rate and resultant fluxes of all channels with increasing {{Z}\\text{eff}} can be traced to impurity profile change by transport. The improvement in confinement levels off at higher {{Z}\\text{eff}} . Over the regime of study there is a competition between the suppressed transport and increasing radiation that leads to a peak in the fusion performance at {{Z}\\text{eff}} (~2.78 for CFETR). Extrinsic impurity seeding to control divertor heat load will need to be optimized around this value for best fusion performance.
Self-Consistent Atmosphere Models of the Most Extreme Hot Jupiters
Lothringer, Joshua; Barman, Travis
2018-01-01
We present a detailed look at self-consistent PHOENIX atmosphere models of the most highly irradiated hot Jupiters known to exist. These hot Jupiters typically have equilibrium temperatures approaching and sometimes exceeding 3000 K, orbiting A, F, and early-G type stars on orbits less than 0.03 AU (10x closer than Mercury is to the Sun). The most extreme example, KELT-9b, is the hottest known hot Jupiter with a measured dayside temperature of 4600 K. Many of the planets we model have recently attracted attention with high profile discoveries, including temperature inversions in WASP-33b and WASP-121, changing phase curve offsets possibly caused by magnetohydrodymanic effects in HAT-P-7b, and TiO in WASP-19b. Our modeling provides a look at the a priori expectations for these planets and helps us understand these recent discoveries. We show that, in the hottest cases, all molecules are dissociated down to relatively high pressures. These planets may have detectable temperature inversions, more akin to thermospheres than stratospheres in that an optical absorber like TiO or VO is not needed. Instead, the inversions are created by a lack of cooling in the IR combined with heating from atoms and ions at UV and blue optical wavelengths. We also reevaluate some of the assumptions that have been made in retrieval analyses of these planets.
Deconvolution of experimental data of aggregates using self-consistent polycrystal models
International Nuclear Information System (INIS)
Tome, C.N.; Christodoulou, N.; Holt, R.; Woo, C.H.; Lebensohn, R.A.; Turner, P.A.
1994-01-01
We present in this work an overview of self-consistent polycrystal models, together with a comprehensive body of work where those models are used to characterize the response of zirconium alloy aggregates under several deformation regimes. In particular, we address here: evolution of internal stresses associated with heat treatments (thermo-elastic regime) and small deformations (elasto-plastic regime); dimensional changes induced by creep and growth during neutron irradiation (visco-elastic regime); texture development associated with forming operations (visco-plastic regime). In each case we emphasize the effect of texture and internal stresses in the observed response of the aggregate, and from the comparison of the predictions with experimental evidence we determine the single crystal properties from the macroscopic response of the polycrystal. The latter approach is particularly useful in the case of zirconium alloys, a material for which it is not possible to grow single crystals and thus directly measure their single crystal properties. Specifically, we infer information concerning: the stress-free lattice parameters and thermal coefficients of the hexagonal crystals; the irradiation creep compliances and growth coefficients; the crystallographic deformation modes and their associated critical stresses. (au) (38 refs.)
Self-consistent tight-binding model of B and N doping in graphene
DEFF Research Database (Denmark)
Pedersen, Thomas Garm; Pedersen, Jesper Goor
2013-01-01
. The impurity potential depends sensitively on the impurity occupancy, leading to a self-consistency requirement. We solve this problem using the impurity Green's function and determine the self-consistent local density of states at the impurity site and, thereby, identify acceptor and donor energy resonances.......Boron and nitrogen substitutional impurities in graphene are analyzed using a self-consistent tight-binding approach. An analytical result for the impurity Green's function is derived taking broken electron-hole symmetry into account and validated by comparison to numerical diagonalization...
KdV Equation with Self-consistent Sources in Non-uniform Media
International Nuclear Information System (INIS)
Hao Honghai; Zhang Dajun; Wang Guangsheng
2009-01-01
Two non-isospectral KdV equations with self-consistent sources are derived. Gauge transformation between the first non-isospectral KdV equation with self-consistent sources (corresponding to λ t = -2aλ) and its isospectral counterpart is given, from which exact solutions for the first non-isospectral KdV equation with self-consistent sources is easily listed. Besides, the soliton solutions for the two equations are obtained by means of Hirota's method and Wronskian technique, respectively. Meanwhile, the dynamical properties for these solutions are investigated. (general)
Self-consistent solution of the Schwinger-Dyson equations for the nucleon and meson propagators
International Nuclear Information System (INIS)
Bracco, M.S.; Eiras, A.
1995-01-01
The Schwinger-Dyson equations for the nucleon and meson propagators are solved self-consistently in an approximation that goes beyond the Hartree-Fock approximation. The traditional approach consists in solving the nucleon Schwinger-Dyson equation with bare meson propagators and bare meson-nucleon vertices; the corrections to the meson propagators are calculated using the bare nucleon propagator and bare nucleon-meson vertices. It is known that such an approximation scheme produces Schwinger-Dyson equations for the nucleon and the meson propagators are solved self-consistently including vertex corrections. The interplay of self-consistency and vertex corrections on the ghosts problem are investigated. It is found that the self-consistency does not affect significantly the spectral properties of the propagators. (author)
Self-consistent solution of the Schwinger-Dyson equation for the nucleon and meson propagators
International Nuclear Information System (INIS)
Bracco, M.E.; Eiras, A.; Krein, G.; Wilets, L.
1995-01-01
The Schwinger-Dyson equations for the nucleon and meson propagators are solved self-consistently in an approximation that goes beyond the Hartree-Fock approximation. The traditional approach consists in solving the nucleon Schwinger-Dyson equation with bare meson propagators and bare meson-nucleon vertices; the corrections to the meson propagators are calculated using the bare nucleon propagator and bare nucleon-meson vertices. It is known that such an approximation sc heme produces the appearance of ghost poles in the propagators. In this paper the coupled system of Schwinger-Dyson equations for the nucleon and the meson propagators are solved self-consistently including vertex corrections. The interplay of self-consistency and vertex corrections on the ghosts problem is investigated. It is found that the self-consistency does not affect significantly the spectral properties of the propagators. In particular, it does not affect the appearance of the ghost poles in the propagators. (author)
The iterative self-consistent reaction-field method: The refractive index of pure water
DEFF Research Database (Denmark)
Sylvester-Hvid, Kristian O.; Mikkelsen, K. V.; Ratner, M.A.
2011-01-01
We present different microscopic models for describing electromagnetic properties of condensed phases and the models involve iterative self-consistent procedures for calculating the properties. We report calculations of the frequency-dependent refractive index of pure water. We investigate...
Self-consistent approach to the eletronic problem in disordered solids
International Nuclear Information System (INIS)
Taguena-Martinez, J.; Barrio, R.A.; Martinez, E.; Yndurain, F.
1984-01-01
It is developed a simple formalism which allows us to perform a self consistent non-parametrized calculation in a non-periodic system, by finding out the thermodynamically averaged Green's function of a cluster Bethe lattice system. (Author) [pt
Development of a Kohn-Sham like potential in the Self-Consistent Atomic Deformation Model
Mehl, M. J.; Boyer, L. L.; Stokes, H. T.
1996-01-01
This is a brief description of how to derive the local ``atomic'' potentials from the Self-Consistent Atomic Deformation (SCAD) model density function. Particular attention is paid to the spherically averaged case.
Self-consistent theory of a harmonic gyroklystron with a minimum Q cavity
International Nuclear Information System (INIS)
Tran, T.M.; Kreischer, K.E.; Temkin, R.J.
1986-01-01
In this paper, the energy extraction stage of the gyroklystron [in Advances in Electronics and Electron Physics, edited by C. Marton (Academic, New York, 1979), Vol. 1, pp. 1--54], with a minimum Q cavity is investigated by using a self-consistent radio-frequency (rf) field model. In the low-field, low-current limit, expressions for the self-consistent field and the resulting energy extraction efficiency are derived analytically for an arbitrary cyclotron harmonic number. To our knowledge, these are the first analytic results for the self-consistent field structure and efficiency of a gyrotron device. The large signal regime analysis is carried out by numerically integrating the coupled self-consistent equations. Several examples in this regime are presented
Remembering and telling self-consistent and self-discrepant memories.
Mutlutürk, Aysu; Tekcan, Ali I
2016-01-01
It has been argued that memories that are inconsistent with one's self would differ from those that are consistent with the self. The present study addresses retrieval, phenomenology, rehearsal and narrative characteristics of autobiographical memories that are consistent versus discrepant with one's self. One hundred participants were asked to recall one self-consistent and one self-discrepant memory as well as an episode of telling these memories to others. They also filled out the Autobiographical Memory Questionnaire and the Centrality of Event Scale for each memory. Results showed no difference between self-consistent and self-discrepant memories in retrieval time, specificity or phenomenology. However, self-discrepant memory narratives contained more meaning-making statements and less autonomy than self-consistent memories. Compared to self-consistent memories, self-discrepant memories were told to fewer people, and listener responses were more negative when they were told. Results are discussed in relation to the functions these memories serve.
International Nuclear Information System (INIS)
Hees, H. van; Knoll, J.
2001-01-01
The theoretical concepts for the renormalization of self-consistent Dyson resummations, deviced in the first paper of this series, are applied to first example cases for the φ 4 -theory. Besides the tadpole (Hartree) approximation as a novel part the numerical solutions are presented which includes the sunset self-energy diagram into the self-consistent scheme based on the Φ-derivable approximation or 2PI effective action concept. (orig.)
The self-consistent field method in the study of many-body problems
International Nuclear Information System (INIS)
Campos, V.B.F. de.
1976-01-01
Properties of many-body systems in special quantum liquids (T=O 0 K), utilizing the self-consistent field method (SCFM) are calculated. The SCFM is applied to quantum systems compounds by neutral and charged (electrons) particles, studying the generalized susceptibility of the system. Thus, properties as the structure factor, pair correlation function, excitation energy spectra, sound velocity, etc are obtained self-consistently (L.C.) [pt
International Nuclear Information System (INIS)
Hees, Hendrik van; Knoll, Joern
2002-01-01
The theoretical concepts for the renormalization of self-consistent Dyson resummations, devised in the first paper of this series, are applied to first example cases of φ 4 theory. In addition to the tadpole (Hartree) approximation, as a novel part the numerical solutions are presented, which include the sunset self-energy diagram into the self-consistent scheme based on the Φ-derivable approximation or the two-particle irreducible effective action concept
Relativistic four-component multiconfigurational self-consistent-field theory for molecules
DEFF Research Database (Denmark)
Jensen, Hans Jørgen Aa; Dyall, Kenneth G.; Saue, Trond
1996-01-01
A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses on the differe......A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses...
Mean fields and self consistent normal ordering of lattice spin and gauge field theories
International Nuclear Information System (INIS)
Ruehl, W.
1986-01-01
Classical Heisenberg spin models on lattices possess mean field theories that are well defined real field theories on finite lattices. These mean field theories can be self consistently normal ordered. This leads to a considerable improvement over standard mean field theory. This concept is carried over to lattice gauge theories. We construct first an appropriate real mean field theory. The equations determining the Gaussian kernel necessary for self-consistent normal ordering of this mean field theory are derived. (orig.)
The Coronal Monsoon: Thermal Nonequilibrium Revealed by Periodic Coronal Rain
Auchère, Frédéric; Froment, Clara; Soubrié, Elie; Antolin, Patrick; Oliver, Ramon; Pelouze, Gabriel
2018-02-01
We report on the discovery of periodic coronal rain in an off-limb sequence of Solar Dynamics Observatory/Atmospheric Imaging Assembly images. The showers are co-spatial and in phase with periodic (6.6 hr) intensity pulsations of coronal loops of the sort described by Auchère et al. and Froment et al. These new observations make possible a unified description of both phenomena. Coronal rain and periodic intensity pulsations of loops are two manifestations of the same physical process: evaporation/condensation cycles resulting from a state of thermal nonequilibrium. The fluctuations around coronal temperatures produce the intensity pulsations of loops, and rain falls along their legs if thermal runaway cools the periodic condensations down and below transition-region temperatures. This scenario is in line with the predictions of numerical models of quasi-steadily and footpoint heated loops. The presence of coronal rain—albeit non-periodic—in several other structures within the studied field of view implies that this type of heating is at play on a large scale.
Energy Technology Data Exchange (ETDEWEB)
Reeves, Katharine K. [Harvard-Smithsonian Center for Astrophysics, 60 Garden St. MS 58, Cambridge, MA 02138 (United States); Freed, Michael S.; McKenzie, David E. [Montana State University, Bozeman, MT 59717 (United States); Savage, Sabrina L., E-mail: kreeves@cfa.harvard.edu [NASA Marshall Space Flight Center, Huntsville, AL 35812 (United States)
2017-02-10
We perform a detailed analysis of the thermal structure of the region above the post-eruption arcade for a flare that occurred on 2011 October 22. During this event, a sheet of hot plasma is visible above the flare loops in the 131 Å bandpass of the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory . Supra-arcade downflows (SADs) are observed traveling sunward through the post-eruption plasma sheet. We calculate differential emission measures using the AIA data and derive an emission measure weighted average temperature in the supra-arcade region. In areas where many SADs occur, the temperature of the supra-arcade plasma tends to increase, while in areas where no SADs are observed, the temperature tends to decrease. We calculate the plane-of-sky velocities in the supra-arcade plasma and use them to determine the potential heating due to adiabatic compression and viscous heating. Of the 13 SADs studied, 10 have noticeable signatures in both the adiabatic and the viscous terms. The adiabatic heating due to compression of plasma in front of the SADs is on the order of 0.1–0.2 MK/s, which is similar in magnitude to the estimated conductive cooling rate. This result supports the notion that SADs contribute locally to the heating of plasma in the supra-arcade region. We also find that in the region without SADs, the plasma cools at a rate that is slower than the estimated conductive cooling, indicating that additional heating mechanisms may act globally to keep the plasma temperature high.
PONDEROMOTIVE ACCELERATION IN CORONAL LOOPS
Energy Technology Data Exchange (ETDEWEB)
Dahlburg, R. B.; Obenschain, K. [LCP and FD, Naval Research Laboratory, Washington, DC 20375 (United States); Laming, J. M. [Space Science Division, Naval Research Laboratory, Washington, DC 20375 (United States); Taylor, B. D. [AFRL Eglin AFB, Pensacola, FL 32542 (United States)
2016-11-10
Ponderomotive acceleration has been asserted to be a cause of the first ionization potential (FIP) effect, the well-known enhancement in abundance by a factor of 3–4 over photospheric values of elements in the solar corona with FIP less than about 10 eV. It is shown here by means of numerical simulations that ponderomotive acceleration occurs in solar coronal loops, with the appropriate magnitude and direction, as a “by-product” of coronal heating. The numerical simulations are performed with the HYPERION code, which solves the fully compressible three-dimensional magnetohydrodynamic equations including nonlinear thermal conduction and optically thin radiation. Numerical simulations of coronal loops with an axial magnetic field from 0.005 to 0.02 T and lengths from 25,000 to 75,000 km are presented. In the simulations the footpoints of the axial loop magnetic field are convected by random, large-scale motions. There is a continuous formation and dissipation of field-aligned current sheets, which act to heat the loop. As a consequence of coronal magnetic reconnection, small-scale, high-speed jets form. The familiar vortex quadrupoles form at reconnection sites. Between the magnetic footpoints and the corona the reconnection flow merges with the boundary flow. It is in this region that the ponderomotive acceleration occurs. Mirroring the character of the coronal reconnection, the ponderomotive acceleration is also found to be intermittent.
The Interaction of Coronal Mass Ejections with Alfvenic Turbulence
Manchester, W.; van der Holst, B.
2017-12-01
We provide a first attempt to understand the interaction between Alfven wave turbulence, kinetic instabilities and temperature anisotropies in the environment of a fast coronal mass ejection (CME). The impact of a fast CME on the solar corona causes turbulent energy, thermal energy and dissipative heating to increase by orders of magnitude, and produces conditions suitable for a host of kinetic instabilities. We study these CME-induced effects with the recently developed Alfven Wave Solar Model, with which we are able to self-consistently simulate the turbulent energy transport and dissipation as well as isotropic electron heating and anisotropic proton heating. Furthermore, the model also offers the capability to address the effects of firehose, mirror mode, and cyclotron kinetic instabilities on proton energy partitioning, all in a global-scale numerical simulation. We find turbulent energy greatly enhanced in the CME sheath, strong wave reflection at the shock, which leads to wave dissipation rates increasing by more than a factor of 100. In contrast, wave energy is greatly diminished by adiabatic expansion in the flux rope. Finally, we find proton temperature anisotropies are limited by kinetic instabilities to a level consistent with solar wind observations.
Doubly self-consistent field theory of grafted polymers under simple shear in steady state.
Suo, Tongchuan; Whitmore, Mark D
2014-03-21
We present a generalization of the numerical self-consistent mean-field theory of polymers to the case of grafted polymers under simple shear. The general theoretical framework is presented, and then applied to three different chain models: rods, Gaussian chains, and finitely extensible nonlinear elastic (FENE) chains. The approach is self-consistent at two levels. First, for any flow field, the polymer density profile and effective potential are calculated self-consistently in a manner similar to the usual self-consistent field theory of polymers, except that the calculation is inherently two-dimensional even for a laterally homogeneous system. Second, through the use of a modified Brinkman equation, the flow field and the polymer profile are made self-consistent with respect to each other. For all chain models, we find that reasonable levels of shear cause the chains to tilt, but it has very little effect on the overall thickness of the polymer layer, causing a small decrease for rods, and an increase of no more than a few percent for the Gaussian and FENE chains. Using the FENE model, we also probe the individual bond lengths, bond correlations, and bond angles along the chains, the effects of the shear on them, and the solvent and bonded stress profiles. We find that the approximations needed within the theory for the Brinkman equation affect the bonded stress, but none of the other quantities.
Doubly self-consistent field theory of grafted polymers under simple shear in steady state
International Nuclear Information System (INIS)
Suo, Tongchuan; Whitmore, Mark D.
2014-01-01
We present a generalization of the numerical self-consistent mean-field theory of polymers to the case of grafted polymers under simple shear. The general theoretical framework is presented, and then applied to three different chain models: rods, Gaussian chains, and finitely extensible nonlinear elastic (FENE) chains. The approach is self-consistent at two levels. First, for any flow field, the polymer density profile and effective potential are calculated self-consistently in a manner similar to the usual self-consistent field theory of polymers, except that the calculation is inherently two-dimensional even for a laterally homogeneous system. Second, through the use of a modified Brinkman equation, the flow field and the polymer profile are made self-consistent with respect to each other. For all chain models, we find that reasonable levels of shear cause the chains to tilt, but it has very little effect on the overall thickness of the polymer layer, causing a small decrease for rods, and an increase of no more than a few percent for the Gaussian and FENE chains. Using the FENE model, we also probe the individual bond lengths, bond correlations, and bond angles along the chains, the effects of the shear on them, and the solvent and bonded stress profiles. We find that the approximations needed within the theory for the Brinkman equation affect the bonded stress, but none of the other quantities
The influence of thermodynamic self-consistency on the phase behaviour of symmetric binary mixtures
Scholl-Paschinger, E; Kahl, G
2004-01-01
We have investigated the phase behaviour of a symmetric binary mixture with particles interacting via hard-core Yukawa potentials. To calculate the thermodynamic properties we have used the mean spherical approximation (MSA), a conventional liquid state theory, and the closely related self-consistent Ornstein-Zernike approximation which is defined via an MSA-type closure relation, requiring, in addition, thermodynamic self-consistency between the compressibility and the energy-route. We investigate on a quantitative level the effect of the self-consistency requirement on the phase diagram and on the critical behaviour and confirm the existence of three archetypes of phase diagram, which originate from the competition between the first order liquid/vapour transition and the second order demixing transition.
Characterisation of gunshot residue particles using self-consistent ion beam analysis
Energy Technology Data Exchange (ETDEWEB)
Bailey, M.J. [University of Surrey Ion Beam Centre, Guildford, GU2 7XH (United Kingdom)], E-mail: m.bailey@surrey.ac.uk; Jeynes, C. [University of Surrey Ion Beam Centre, Guildford, GU2 7XH (United Kingdom)
2009-06-15
Individual particles of gunshot residue were studied with particle-induced X-ray emission and backscattering spectrometry using a 2.5 MeV H{sup +} beam focussed to {approx}4 {mu}m and self-consistent fitting of the data. The geometry of these spherical particles was considered in order to accurately fit the corresponding particle spectrum and therefore to quantify the trace element composition of these particles. The demonstrable self-consistency of this method allows the compositions of most residue particles to be determined unambiguously and with a higher sensitivity to trace elements than conventional methods.
A self-consistent theory of radial transport of field-aligned current by microturbulence
International Nuclear Information System (INIS)
Terry, P.W.
1990-02-01
The radial transport of field-aligned current due to collisionless microturbulence is examined self-consistently. The self-consistent treatment of mode coupling shown to constrain the transport in such a way that the relaxation of current gradients is regulated solely by electrostatic fluctuations which couple to ion dissipation, even in the presence of temperature gradients and temperature anisotropy. As a consequence, the radial flux of parallel current induced by collisionless microinstabilities is insufficient to account for the dynamo in reversed field pinch plasmas. 26 refs
Self-consistent descriptions of vector mesons in hot matter reexamined
International Nuclear Information System (INIS)
Riek, Felix; Knoll, Joern
2010-01-01
Technical concepts are presented that improve the self-consistent treatment of vector mesons in a hot and dense medium. First applications concern an interacting gas of pions and ρ mesons. As an extension of earlier studies, we thereby include random-phase-approximation-type vertex corrections and further use dispersion relations to calculate the real part of the vector-meson self-energy. An improved projection method preserves the four transversality of the vector-meson polarization tensor throughout the self-consistent calculations, thereby keeping the scheme void of kinematical singularities.
The self-consistent calculation of the edge states in bilayer quantum Hall bar
International Nuclear Information System (INIS)
Kavruk, A E; Orzturk, T; Orzturk, A; Atav, U; Yuksel, H
2011-01-01
In this study, we present the spatial distributions of the edge channels for each layer in bilayer quantum Hall bar geometry for a wide range of applied magnetic fields. For this purpose, we employ a self-consistent Thomas-Fermi-Poisson approach to obtain the electron density distributions and related screened potential distributions. In order to have a more realistic description of the system we solve three dimensional Poisson equation numerically in each iteration step to obtain self consistency in the Thomas-Fermi-Poisson approach instead of employing a 'frozen gate' approximation.
Self-consistent study of local and nonlocal magnetoresistance in a YIG/Pt bilayer
Wang, Xi-guang; Zhou, Zhen-wei; Nie, Yao-zhuang; Xia, Qing-lin; Guo, Guang-hua
2018-03-01
We present a self-consistent study of the local spin Hall magnetoresistance (SMR) and nonlocal magnon-mediated magnetoresistance (MMR) in a heavy-metal/magnetic-insulator heterostructure at finite temperature. We find that the thermal fluctuation of magnetization significantly affects the SMR. It appears unidirectional with respect to the direction of electrical current (or magnetization). The unidirectionality of SMR originates from the asymmetry of creation or annihilation of thermal magnons induced by the spin Hall torque. Also, a self-consistent model can well describe the features of MMR.
Self-consistent Green’s-function technique for surfaces and interfaces
DEFF Research Database (Denmark)
Skriver, Hans Lomholt; Rosengaard, N. M.
1991-01-01
We have implemented an efficient self-consistent Green’s-function technique for calculating ground-state properties of surfaces and interfaces, based on the linear-muffin-tin-orbitals method within the tight-binding representation. In this approach the interlayer interaction is extremely short...... ranged, and only a few layers close to the interface need be treated self-consistently via a Dyson equation. For semi-infinite jellium, the technique gives work functions and surface energies that are in excellent agreement with earlier calculations. For the bcc(110) surface of the alkali metals, we find...
International Nuclear Information System (INIS)
Kernbichler, W.; Heyn, M.F.; Kasilov, S.V.
2003-01-01
Convective transport of supra-thermal electrons can play a significant role in the energy balance of stellarators in case of high power electron cyclotron heating. Here, together with neoclassical thermal particle fluxes also the supra-thermal electron flux should be taken into account in the flux ambipolarity condition, which defines the self-consistent radial electric field. Since neoclassical particle fluxes are non-linear functions of the radial electric field, one needs an iterative procedure to solve the ambipolarity condition, where the supra-thermal electron flux has to be calculated for each iteration. A conventional Monte-Carlo method used earlier for evaluation of supra-thermal electron fluxes is rather slow for performing the iterations in reasonable computer time. In the present report, the Stochastic Mapping Technique (SMT), which is more effective than the conventional Monte Carlo method, is used instead. Here, the problem with a local monoenergetic supra-thermal particle source is considered and the effect of supra-thermal electron fluxes on both, the self-consistent radial electric field and the formation of different roots of the ambipolarity condition are studied
Feofilov, Artem G.; Yankovsky, Valentine A.; Pesnell, William D.; Kutepov, Alexander A.; Goldberg, Richard A.; Mauilova, Rada O.
2007-01-01
We present the new version of the ALI-ARMS (for Accelerated Lambda Iterations for Atmospheric Radiation and Molecular Spectra) model. The model allows simultaneous self-consistent calculating the non-LTE populations of the electronic-vibrational levels of the O3 and O2 photolysis products and vibrational level populations of CO2, N2,O2, O3, H2O, CO and other molecules with detailed accounting for the variety of the electronic-vibrational, vibrational-vibrational and vibrational-translational energy exchange processes. The model was used as the reference one for modeling the O2 dayglows and infrared molecular emissions for self-consistent diagnostics of the multi-channel space observations of MLT in the SABER experiment It also allows reevaluating the thermalization efficiency of the absorbed solar ultraviolet energy and infrared radiative cooling/heating of MLT by detailed accounting of the electronic-vibrational relaxation of excited photolysis products via the complex chain of collisional energy conversion processes down to the vibrational energy of optically active trace gas molecules.
Behzadi, Azad Esmailov
1999-10-01
The critical behavior of the fully frustrated XY model has remained controversial in spite of almost two decades of related research. In this study, we have developed a new method inspired by Netz and Berker's hard-spin mean- field theory. Our approach for XY models yields results consistent with Monte Carlo simulations as the ratio of antiferromagnetic to ferromagnetic interactions is varied. The method captures two phase transitions clearly separated in temperature for ratios of 0.5, 0.6, and 1.5, with these transitions moving closer together in temperature as the interaction ratio approaches 1.0, the fully frustrated case. From the system's chirality as a function of temperature in the critical region, we calculate the critical exponent β in agreement with an Ising transition for all of the interaction ratios studied, including 1.0. This result provides support for the view that there are two transitions, rather than one transition in a new universality class, occurring in the fully frustrated XY model. Finite size effects in this model can be essentially eliminated by rescaling the local magnetization, the quantity retained self- consistently in our computations. This rescaling scheme also shows excellent results when tested on the two- dimensional Ising model, and the method, as generalized, provides a framework for an analytical approach to complex systems. Monte Carlo simulations of the fully frustrated XY model in a magnetic field provide further evidence of two transitions. The magnetic field breaks the rotational symmetry of the model, but the two-fold chiral degeneracy of the ground state persists in the field. This lower degeneracy with the field present makes Monte Carlo simulations converge more rapidly. The critical exponent δ determined from the sublattice magnetizations as a function of field agrees with the value expected for a Kosterlitz-Thouless transition. Further, the zero-field specific heat obtained by extrapolation from simulations in a
Conservation laws and self-consistent sources for a super-CKdV equation hierarchy
Li, Li
2011-03-01
From the super-matrix Lie algebras, we consider a super-extension of the CKdV equation hierarchy in the present Letter, and propose the super-CKdV hierarchy with self-consistent sources. Furthermore, we establish the infinitely many conservation laws for the integrable super-CKdV hierarchy.
Self-consistent field modeling of linear non-ionic micelles
Jodar-Reyes, A.B.; Leermakers, F.A.M.
2006-01-01
A self-consistent field theory is used to predict structural, mechanical, and thermodynamical properties of linear micelles of selected nonionic surfactants of the type CnEm. Upon increase in surfactant concentration the sudden micelle shape transition from spherical to cylindrical (second critical
Bending rigidities of surfactant bilayers using self-consistent field theory
Leermakers, F.A.M.
2013-01-01
Self-consistent field (SCF) theory is used to find bending moduli of surfactant and lipid bilayers. Recently, we successfully applied low-memory search methods to solve the SCF equations. Using these we are now able to directly evaluate the Gaussian bending modulus for molecularly detailed models of
Example of a self-consistent solution for a fermion on domain wall
International Nuclear Information System (INIS)
Gani, V. A.; Ksenzov, V. G.; Kudryavtsev, A. E.
2010-01-01
A self-consistent solution for a fermion coupled to static scalar field in the form of a kink (domain wall) is discussed. In particular, the case when the fermion occupies an excited nonzero frequency level in the presence of the domain-wall field is studied. The effect of the domain-wall profile distortion is calculated analytically.
Renormalization of self-consistent Schwinger-Dyson equations at finite temperature
International Nuclear Information System (INIS)
Hees, H. van; Knoll, J.
2002-01-01
We show that Dyson resummation schemes based on Baym's Φ-derivable approximations can be renormalized with counter term structures solely defined on the vacuum level. First applications to the self-consistent solution of the sunset self-energy in φ 4 -theory are presented. (orig.)
Self-consistency condition and high-density virial theorem in relativistic many-particle systems
International Nuclear Information System (INIS)
Kalman, G.; Canuto, V.; Datta, B.
1976-01-01
In order for the thermodynamic and kinetic definitions of the chemical potential and the pressure to lead to identical results a nontrivial self-consistency criterion has to be satisfied. This, in turn, leads to a virial-like theorem in the high-density limit
Total energy calculation of perovskite, BaTiO3, by self-consistent ...
Indian Academy of Sciences (India)
We present results of numerical computation on some characteristics of BaTiO3 such as total energy, lattice constant, density of states, band structure etc using self-consistent tight binding method. Besides strong Ti–O bond between 3 on titanium and 2 orbital on oxygen states, we also include weak hybridization ...
Dresselhaus, Thomas; Neugebauer, Johannes; Knecht, Stefan; Keller, Sebastian; Ma, Yingjin; Reiher, Markus
2015-01-28
We present the first implementation of a density matrix renormalization group algorithm embedded in an environment described by density functional theory. The frozen density embedding scheme is used with a freeze-and-thaw strategy for a self-consistent polarization of the orbital-optimized wavefunction and the environmental densities with respect to each other.
Directory of Open Access Journals (Sweden)
L.S. Ferreira
2016-02-01
Full Text Available Proton radioactivity from deformed nuclei is described for the first time by a self-consistent calculation based on covariant relativistic density functionals derived from meson exchange and point coupling models. The calculation provides an important new test to these interactions at the limits of stability, since the mixing of different angular momenta in the single particle wave functions is probed.
A self-consistent kinetic modeling of a 1-D, bounded, plasma in ...
Indian Academy of Sciences (India)
Abstract. A self-consistent kinetic treatment is presented here, where the Boltzmann equation is solved for a particle ... This paper reports on the findings of a kinetic code that retains col- lisions and sources, models ..... was used in the runs reported in this paper, the source of particles is modified from the explicit source Л(Ъ).
Self-consistent treatment of quark-quark interaction in MIT bag model
Simonis, V
1997-01-01
Some features of the MlT bag model are discussed with particular emphasis on static, spherical cavity approximation to the model. A self-consistent procedure for obtaining wave functions and calculating gluon exchange effects is proposed. The equations derived are similar to state-dependent relativistic Hartree-Fock equations. (author)
Self-organization of polyurethane pre-polymers as studied by self-consistent field theory
Li, Feng; Tuinier, Remco; Casteren, Van Ilse; Tennebroek, Ronald; Overbeek, Ad; Leermakers, F.A.M.
2016-01-01
Using self-consistent field (SCF) theory, we studied the self-assembly characteristics of polyurethane pre-polymer dispersions in aqueous solutions. With a molecularly detailed model implementing the Scheutjens-Fleer discretization scheme, it is shown how the stability, equilibrium size, and
Bolemon, Jay S.; Etzold, David J.
1974-01-01
Discusses the use of a small computer to solve self-consistent field problems of one-dimensional systems of two or more interacting particles in an elementary quantum mechanics course. Indicates that the calculation can serve as a useful introduction to the iterative technique. (CC)
Self-consistent β functions and emittances of round colliding beams
Directory of Open Access Journals (Sweden)
A. V. Otboyev
1999-10-01
Full Text Available The flip-flop effect with the linearized beam-beam force is formulated through self-consistent β functions and equilibrium emittances which are both affected by collision. We give the results of two models of emittance dependence. The effect of finite bunch length is also discussed.
Spontaneous symmetry breaking and self-consistent equations for the free-energy
International Nuclear Information System (INIS)
Lovesey, S.W.
1980-03-01
A variational procedure for the free-energy is used to derive self-consistent equations that allow for spontaneous symmetry breaking. For an N-component phi 4 -model the equations are identical to those obtained by summing all loops to order 1/N. (author)
Total energy calculation of perovskite, BaTiO3, by self-consistent
Indian Academy of Sciences (India)
Unknown
rgy, lattice constant, density of states, band structure etc using self-consistent tight binding method. ... share the paraelectric simple-cubic perovskite structure .... of neighbouring ions. In order to find the ground state, we solve the variation problem, minimizing Etot with respect to the coefficients, .*,λµ ic. The final equation is.
International Nuclear Information System (INIS)
Mookerjee, A.; Chaudhry, V.
1980-09-01
Using the chemical pseudopotential approach of Anderson and Bullett we have generated from first principles pseudo-Hamiltonians for heteropolar alloys. The one-electron density of states has been generated for Gasub(x)Insub(1-x)As using a self-consistent cluster CPA introduced earlier by one of us. Off-diagonal disorder has also been incorporated. (author)
Conservation laws and self-consistent sources for a super-CKdV equation hierarchy
International Nuclear Information System (INIS)
Li Li
2011-01-01
From the super-matrix Lie algebras, we consider a super-extension of the CKdV equation hierarchy in the present Letter, and propose the super-CKdV hierarchy with self-consistent sources. Furthermore, we establish the infinitely many conservation laws for the integrable super-CKdV hierarchy.
A parameter study of self-consistent disk models around Herbig AeBe stars
Meijer, J.; Dominik, C.; de Koter, A.; Dullemond, C.P.; van Boekel, R.; Waters, L.B.F.M.
2008-01-01
We present a parameter study of self-consistent models of protoplanetary disks around Herbig AeBe stars. We use the code developed by Dullemond and Dominik, which solves the 2D radiative transfer problem including an iteration for the vertical hydrostatic structure of the disk. This grid of models
Total energy calculation of perovskite, BaTiO 3 , by self-consistent ...
Indian Academy of Sciences (India)
We present results of numerical computation on some characteristics of BaTiO3 such as total energy, lattice constant, density of states, band structure etc using self-consistent tight binding method. Besides strong Ti–O bond between 3 on titanium and 2 orbital on oxygen states, we also include weak hybridization ...
Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling
Pera, H.; Kleijn, J.M.; Leermakers, F.A.M.
2014-01-01
To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k c and k ¯ and
Radiation Belt Data-Assimilation Using Self-Consistent Storm-Time Magnetic Fields
Henderson, M. G.; Koller, J.; Chen, Y.; Zaharia, S.; Jordanova, V.; Reeves, G. D.
2008-12-01
The lack of suitably realistic magnetic field models for use in radiation belt data assimilation remains a critical unresolved problem in space weather specification and prediction. Although the high-energy radiation belt particles themselves do not significantly alter the magnetic fields in which they drift, the lower-energy ring current populations do. And the deviation (especially during storms) of the real magnetic field from that computed even with the best of the presently available empirical models can be very large. To overcome this problem, the LANL DREAM code has been modified to use magnetic fields that are self-consistently maintained in force balance with the plasma. We compare second and third adiabatic invariants computed from the self-consistent fields to those obtained with empirical B-field models, and we utilize a phase-space density matching technique in order to test the various field models. Finally, the PSD at constant mu and K in a data-assimilation model obtained with the self-consistent and non-self-consistent magnetic field models will be compared.
Nonstatic, self-consistent πN t matrix in nuclear matter
International Nuclear Information System (INIS)
Van Orden, J.W.
1984-01-01
In a recent paper, a calculation of the self-consistent πN t matrix in nuclear matter was presented. In this calculation the driving term of the self-consistent equation was chosen to be a static approximation to the free πN t matrix. In the present work, the earlier calculation is extended by using a nonstatic, fully-off-shell free πN t matrix as a starting point. Right-hand pole and cut contributions to the P-wave πN amplitudes are derived using a Low expansion and include effects due to recoil of the interacting πN system as well as the transformation from the πN c.m. frame to the nuclear rest frame. The self-consistent t-matrix equation is rewritten as two integral equations which modify the pole and cut contributions to the t matrix separately. The self-consistent πN t matrix is calculated in nuclear matter and a nonlocal optical potential is constructed from it. The resonant contribution to the optical potential is found to be broadened by 20% to 50% depending on pion momentum and is shifted upward in energy by approximately 10 MeV in comparison to the first-order optical potential. Modifications to the nucleon pole contribution are found to be negligible
Renormalized perturbation theories of Anderson localization: Self-consistent two-particle vertices
Czech Academy of Sciences Publication Activity Database
Janiš, Václav; Pokorný, Vladislav
2011-01-01
Roč. 523, 8-9 (2011), s. 715-723 ISSN 0003-3804 Institutional research plan: CEZ:AV0Z10100520 Keywords : diagrammatic expansion * self-consistent renormalizations * electron-hole symmetry Subject RIV: BE - Theoretical Physics Impact factor: 0.841, year: 2011
Self-consistency constraints on turbulent magnetic transport and relaxation in collisionless plasma
International Nuclear Information System (INIS)
Terry, P.W.; Diamond, P.H.; Hahm, T.S.
1985-10-01
Novel constraints on collisionless relaxation and transport in drift-Alfven turbulence are reported. These constraints arise due to the consideration of mode coupling and incoherent fluctuations and the proper application of self-consistency conditions. The result that electrostatic fluctuations alone regulate transport in drift-Alfven turbulence follows directly. Quasilinear transport predictions are discussed in light of these constraints
Self-consistent field modeling of adsorption from polymer/surfactant mixtures
Postmus, B.R.; Leermakers, F.A.M.; Cohen Stuart, M.A.
2008-01-01
We report on the development of a self-consistent field model that describes the competitive adsorption of nonionic alkyl-(ethylene oxide) surfactants and nonionic polymer poly(ethylene oxide) (PEO) from aqueous solutions onto silica. The model explicitly describes the response to the pH and the
A new self-consistent model for thermodynamics of binary solutions
Czech Academy of Sciences Publication Activity Database
Svoboda, Jiří; Shan, Y. V.; Fischer, F. D.
2015-01-01
Roč. 108, NOV (2015), s. 27-30 ISSN 1359-6462 R&D Projects: GA ČR(CZ) GA14-24252S Institutional support: RVO:68081723 Keywords : Thermodynamics * Analytical methods * CALPHAD * Phase diagram * Self-consistent model Subject RIV: BJ - Thermodynamics Impact factor: 3.305, year: 2015
Self-consistent-field calculations of proteinlike incorporations in polyelectrolyte complex micelles
Lindhoud, Saskia; Cohen Stuart, Martinus Abraham; Norde, Willem; Leermakers, Frans A.M.
2009-01-01
Self-consistent field theory is applied to model the structure and stability of polyelectrolyte complex micelles with incorporated protein (molten globule) molecules in the core. The electrostatic interactions that drive the micelle formation are mimicked by nearest-neighbor interactions using
Plasma Processes: A self-consistent kinetic modeling of a 1-D ...
Indian Academy of Sciences (India)
A self-consistent kinetic treatment is presented here, where the Boltzmann equation is solved for a particle conserving Krook collision operator. The resulting equations have been implemented numerically. The treatment solves for the entire quasineutral column, making no assumptions about mfp/, where mfp is the ...
DEFF Research Database (Denmark)
Zecevic, Miroslav; Pantleon, Wolfgang; Lebensohn, Ricardo A.
2017-01-01
In a recent paper, we reported the methodology to calculate intragranular fluctuations in the instantaneous lattice rotation rates in polycrystalline materials within the mean-field viscoplastic self-consistent (VPSC) model. This paper is concerned with the time integration and subsequent use of ...
Conservation laws and self-consistent sources for a super-CKdV equation hierarchy
Energy Technology Data Exchange (ETDEWEB)
Li Li, E-mail: li07099@163.co [College of Maths and Systematic Science, Shenyang Normal University, Shenyang 110034 (China)
2011-03-14
From the super-matrix Lie algebras, we consider a super-extension of the CKdV equation hierarchy in the present Letter, and propose the super-CKdV hierarchy with self-consistent sources. Furthermore, we establish the infinitely many conservation laws for the integrable super-CKdV hierarchy.
International Nuclear Information System (INIS)
Jameson, R.A.
1994-01-01
Beam halos are formed via self-consistent motion of the beam particles. Interactions of single particles with time-varying density distributions of other particles are a major source of halo. Aspects of these interactions are studied for an initially equilibrium distribution in a radial, linear, continuous focusing system. When there is a mismatch, it is shown that in the self-consistent system, there is a threshold in space-charge and mismatch, above which a halo is formed that extends to ∼1.5 times the initial maximum mismatch radius. Tools are sought for characterizing the halo dynamics. Testing the particles against the width of the mismatch driving resonance is useful for finding a conservative estimate of the threshold. The exit, entering and transition times, and the time evolution of the halo, are also explored using this technique. Extension to higher dimensions is briefly discussed
Self-consistent approach for Bose-condensed atoms in optical lattices
Directory of Open Access Journals (Sweden)
V.I. Yukalov
2013-06-01
Full Text Available Bose atoms in optical lattices are considered at low temperatures and weak interactions, when Bose-Einstein condensate is formed. A self-consistent approach, based on the use of a representative statistical ensemble, is employed, guaranteeing a gapless spectrum of collective excitations and the validity of conservation laws. In order to show that the approach is applicable to both weak and tight binding, the problem is treated in the Bloch as well as in the Wannier representations. Both these ways result in similar expressions that are compared for the self-consistent Hartree-Fock-Bogolubov approximation. A convenient general formula for the superfluid fraction of atoms in an optical lattice is derived.
Self-consistent hole motion and spin excitations in a quantum antiferromagnet
International Nuclear Information System (INIS)
Su, Z.B.; Yu, L.; Li, Y.M.; Lai, W.Y.
1989-12-01
A new quantum Bogoliubov-de Gennes (BdeG) formalism is developed to study the self-consistent motion of holes and spin excitations in a quantum antiferromagnet within the generalized t-J model. On the one hand, the effects of local distortion of spin configurations and the renormalization of the hole motion due to virtual excitations of the distorted spin background are treated on an equal footing to obtain the hole wave function and its spectrum, as well as the effective mass for a propagating hole. On the other hand, the change of the spin excitation spectrum and the spin correlations due to the presence of dynamical holes are studied within the same adiabatic approximation. The stability of the hole states with respect to such changes justifies the self-consistency of the proposed formalism. (author). 25 refs, 6 figs, 1 tab
Application of self-consistent field theory to self-assembled bilayer membranes
International Nuclear Information System (INIS)
Zhang Ping-Wen; Shi An-Chang
2015-01-01
Bilayer membranes self-assembled from amphiphilic molecules such as lipids, surfactants, and block copolymers are ubiquitous in biological and physiochemical systems. The shape and structure of bilayer membranes depend crucially on their mechanical properties such as surface tension, bending moduli, and line tension. Understanding how the molecular properties of the amphiphiles determine the structure and mechanics of the self-assembled bilayers requires a molecularly detailed theoretical framework. The self-consistent field theory provides such a theoretical framework, which is capable of accurately predicting the mechanical parameters of self-assembled bilayer membranes. In this mini review we summarize the formulation of the self-consistent field theory, as exemplified by a model system composed of flexible amphiphilic chains dissolved in hydrophilic polymeric solvents, and its application to the study of self-assembled bilayer membranes. (topical review)
Self-consistent theory of finite Fermi systems and radii of nuclei
International Nuclear Information System (INIS)
Saperstein, E. E.; Tolokonnikov, S. V.
2011-01-01
Present-day self-consistent approaches in nuclear theory were analyzed from the point of view of describing distributions of nuclear densities. The generalized method of the energy density functional due to Fayans and his coauthors (this is the most successful version of the self-consistent theory of finite Fermi systems) was the first among the approaches under comparison. The second was the most successful version of the Skyrme-Hartree-Fock method with the HFB-17 functional due to Goriely and his coauthors. Charge radii of spherical nuclei were analyzed in detail. Several isotopic chains of deformed nuclei were also considered. Charge-density distributions ρ ch (r) were calculated for several spherical nuclei. They were compared with model-independent data extracted from an analysis of elastic electron scattering on nuclei.
More than skin deep: a self-consistency approach to the psychology of cosmetic surgery.
Burk, J; Zelen, S L; Terino, E O
1985-08-01
Underlying attitudes about the general self and the specific body part operated on in cosmetic surgery were investigated. It was hypothesized that female cosmetic surgery patients would feel less favorably toward their noses, faces, or breasts than toward their overall self. These marked inconsistencies would cause "normal" individuals to seek practical solutions of enhancing the esteem of the particular body part, to make it consistent with their general view of themselves. Forty female cosmetic surgery patients were tested before and 2 and 4 months after surgery. In all, 12 hypotheses were made within the general self-consistency framework and 11 were upheld at levels ranging from 0.02 to 0.001. Self-consistency theory accurately represents the female cosmetic surgery patient as a normal woman in terms of self-esteem who is attempting to remediate a consciously felt inconsistency between general and specific body-part esteem. Cosmetic surgery seems to reduce this inconsistency.
International Nuclear Information System (INIS)
Kita, Takafumi
2009-01-01
Quantum-field-theoretic descriptions of interacting condensed bosons have suffered from the lack of self-consistent approximation schemes satisfying Goldstone's theorem and dynamical conservation laws simultaneously. We present a procedure to construct such approximations systematically by using either an exact relation for the interaction energy or the Hugenholtz-Pines relation to express the thermodynamic potential in a Luttinger-Ward form. Inspection of the self-consistent perturbation expansion up to the third order with respect to the interaction shows that the two relations yield a unique identical result at each order, reproducing the conserving-gapless mean-field theory [T. Kita, J. Phys. Soc. Jpn. 74, 1891 (2005)] as the lowest-order approximation. The uniqueness implies that the series becomes exact when infinite terms are retained. We also derive useful expressions for the entropy and superfluid density in terms of Green's function and a set of real-time dynamical equations to describe thermalization of the condensate.
Real-space Kerker method for self-consistent calculation using non-orthogonal basis functions
International Nuclear Information System (INIS)
Shiihara, Yoshinori; Kuwazuru, Osamu; Yoshikawa, Nobuhiro
2008-01-01
We have proposed the real-space Kerker method for fast self-consistent-field calculations in real-space approaches using non-orthogonal basis functions. In large-scale systems with many atoms, the Kerker method is a very efficient way to prevent charge sloshing, which induces numerical instability during the self-consistent iterations. We construct the Kerker preconditioning matrix with non-orthogonal basis functions and the preconditioning is performed by solving linear equations. The proposed real-space Kerker method is identical to the method in reciprocal space, with the following two advantages: (i) the method is suitable for massively parallel computation since it does not use the fast Fourier transform. (ii) The preconditioning is performed in an acceptable computational time since time-consuming integration, including the exponential kernel, need not be performed, unlike the method used by Manninen et al (1975 Phys. Rev. B 12 4012)
Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport
Estève , D. ,; Sarazin , Y.; Garbet , X.; Grandgirard , V.; Breton , S. ,; Donnel , P. ,; Asahi , Y. ,; Bourdelle , C.; Dif-Pradalier , G; Ehrlacher , C.; Emeriau , C.; Ghendrih , Ph; Gillot , C.; Latu , G.; Passeron , C.
2018-01-01
International audience; Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code [V. Grandgirard et al., Comp. Phys. Commun. 207, 35 (2016)]. A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime likely relevant for tungsten, the standard expression of the neoclassical impurity flux is shown t...
Self-consistent quasi-particle RPA for the description of superfluid Fermi systems
Rahbi, A; Chanfray, G; Schuck, P
2002-01-01
Self-Consistent Quasi-Particle RPA (SCQRPA) is for the first time applied to a more level pairing case. Various filling situation and values for the coupling constant are considered. Very encouraging results in comparison with the exact solution of the model are obtaining. The nature of the low lying mode in SCQRPA is identified. The strong reduction of the number fluctuation in SCQRPA vs BCS is pointed out. The transition from superfluidity to the normal fluid case is carefully investigated.
Jordanova, V. K.; Zaharia, S.; Welling, D. T.
2010-12-01
The effects of nondipolar magnetic field configuration and the feedback of a self-consistently computed magnetic field on ring current dynamics are investigated during a double-dip storm with minima SYM-H = -90 nT at ˜2000 UT, 20 November, and SYM-H = -127 nT at ˜1000 UT, 21 November 2002. We use our kinetic ring current-atmosphere interactions model with self-consistent magnetic field (RAM-SCB) to study the redistribution of plasma in the inner magnetosphere after its fresh injection from the plasma sheet. The kinetic model is fully extended to nondipolar magnetic (B) field geometry and two-way coupled with an Euler-potential-based equilibrium model that calculates self-consistently the three-dimensional magnetic field in force balance with the anisotropic ring current distributions. The ring current source population is inferred from LANL geosynchronous satellite data; a superdense plasma sheet observed during the second storm main phase contributes significantly to ring current buildup. We find that the bounce-averaged velocities increase while the bounce-averaged geocoronal hydrogen densities decrease on the nightside when a nondipolar B field is used. A depression of the ring current fluxes and a confinement of the ring current close to Earth are thus observed on the nightside as geomagnetic activity increases. In contrast to the dipolar case, the proton anisotropy increases considerably in the postnoon sector, and the nondipolar simulations predict the excitation of intense EMIC waves at large L shells. The total ring current energy and ∣Dst∣ index calculated with the self-consistent B field are in best agreement with observations, being smaller compared to the dipolar calculations but larger than the empirical B field predictions.
Self-consistent calculation of electron density distribution in metals in HNC approximation
Energy Technology Data Exchange (ETDEWEB)
Stachowiak, H.; Boronski, E.; Banach, G. [Polska Akademia Nauk, Wroclaw (Poland). Inst. Niskich Temperatur i Badan Strukturalnych
1997-12-01
A nonlinear integro-differential equation is introduced for density amplitude of conduction electrons in simple metals as a consequence of the results obtained within the theory of liquids. The simplicity of this equation in comparison with the usual Kohn-Sham approach gives the possibility to determine the self- consistent density of conduction electrons without assuming a muffin-tin lattice potential. Calculations have been performed for lithium. Perspectives connected with this approach are discussed. (author). 8 refs, 2 figs.
Simulations of Turbulence in Tokamak Edge and Effects of Self-Consistent Zonal Flows
Cohen, Bruce; Umansky, Maxim
2013-10-01
Progress is reported on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge. This extends previous work to include self-consistent zonal flows and their effects. The previous work addressed simulation of L-mode tokamak edge turbulence using the turbulence code BOUT that solves Braginskii-based plasma fluid equations in tokamak edge domain. The calculations use realistic single-null geometry and plasma parameters of the DIII-D tokamak and produce fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.
Simulations of Tokamak Edge Turbulence Including Self-Consistent Zonal Flows
Cohen, Bruce; Umansky, Maxim
2013-10-01
Progress on simulations of electromagnetic drift-resistive ballooning turbulence in the tokamak edge is summarized in this mini-conference talk. A more detailed report on this work is presented in a poster at this conference. This work extends our previous work to include self-consistent zonal flows and their effects. The previous work addressed the simulation of L-mode tokamak edge turbulence using the turbulence code BOUT. The calculations used realistic single-null geometry and plasma parameters of the DIII-D tokamak and produced fluctuation amplitudes, fluctuation spectra, and particle and thermal fluxes that compare favorably to experimental data. In the effect of sheared ExB poloidal rotation is included with an imposed static radial electric field fitted to experimental data. In the new work here we include the radial electric field self-consistently driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We present simulations with/without zonal flows for both cylindrical geometry, as in the UCLA Large Plasma Device, and for the DIII-D tokamak L-mode cases in to quantify the influence of self-consistent zonal flows on the microturbulence and the concomitant transport. This work was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory.
Rosen, A.; Ellis, D. E.; Adachi, H.; Averill, F. W.
1976-01-01
A numerical-variational method for performing self-consistent molecular calculations in the Hartree-Fock-Slater (HFS) model is presented. Molecular wavefunctions are expanded in terms of basis sets constructed from numerical HFS solutions of selected one-center atomlike problems. Binding energies and wavefunctions for the molecules are generated using a discrete variational method for a given molecular potential. In the self-consistent-charge (SCC) approximation to the complete self-consistent-field (SCF) method, results of a Mulliken population analysis of the molecular eigenfunctions are used in each iteration to produce 'atomic' occupation numbers. The simplest SCC potential is then obtained from overlapping spherical atomlike charge distributions. Molecular ionization energies are calculated using the transition-state procedure; results are given for CO, H2O, H2S, AlCl, InCl, and the Ni5O surface complex. Agreement between experimental and theoretical ionization energies for the free-molecule valence levels is generally within 1 eV. The simple SCC procedure gives a reasonably good approximation to the molecular potential, as shown by comparison with experiment, and with complete SCF calculations for CO, H2O, and H2S.
Directory of Open Access Journals (Sweden)
Michael Brown
2015-11-01
Full Text Available Approximations based on two-particle irreducible (2PI effective actions (also known as Φ-derivable, Cornwall–Jackiw–Tomboulis or Luttinger–Ward functionals depending on context have been widely used in condensed matter and non-equilibrium quantum/statistical field theory because this formalism gives a robust, self-consistent, non-perturbative and systematically improvable approach which avoids problems with secular time evolution. The strengths of 2PI approximations are often described in terms of a selective resummation of Feynman diagrams to infinite order. However, the Feynman diagram series is asymptotic and summation is at best a dangerous procedure. Here we show that, at least in the context of a toy model where exact results are available, the true strength of 2PI approximations derives from their self-consistency rather than any resummation. This self-consistency allows truncated 2PI approximations to capture the branch points of physical amplitudes where adjustments of coupling constants can trigger an instability of the vacuum. This, in effect, turns Dyson's argument for the failure of perturbation theory on its head. As a result we find that 2PI approximations perform better than Padé approximation and are competitive with Borel–Padé resummation. Finally, we introduce a hybrid 2PI–Padé method.
Equilibrium properties of polymers from the Langevin equation: Gaussian self-consistent approach
International Nuclear Information System (INIS)
Timoshenko, E.G.; Dawson, K.A.
1995-01-01
We investigate here the dynamics of polymers at equilibrium by means of a self-consistent approximation that can be applied to arbitrary Hamiltonians. In particular we show that for the case of two-and three-body excluded volume effects, and the Oseen hydrodynamic interaction, the Gaussian self-consistent approach can recapture what we believe to be the essential features across the collapse transition. This method is based on the approximation of the complete Langevin equation by a Gaussian stochastic ensemble obeying a linear equation of motion with some unknown effective potential ΔV q (t) and friction. Self-consistency equations for this potential are derived and studied in a variety of regimes across the collapse transition. Here we have calculated the friction ζ q scaling behavior. The results of a simple power counting analysis of the equations, applicable for sufficiently large polymers, confirm the expected law ζ q ∝N ν q 1-ν , and give exponent values ν=3/5 for the Flory coil, ν=1/2 for so-called θ point, and ν=1/3 for the collapsed globule phase. Further applications of the method for various experimental observables of interest, e.g., the dynamic structure factor of light scattering, are presented, and again simple applications are discussed
Self-consistent calculation of particle-hole diagrams on the Matsubara frequency: FLEX approximation
International Nuclear Information System (INIS)
Rodriguez-Nunez, J.J.
1997-01-01
We implement the numerical method of summing Green function diagrams on the Matsubara frequency axis for the fluctuation exchange (FLEX) approximation. Our method has previously been applied to the attractive Hubbard model for low density. Here we apply our numerical algorithm to the Hubbard model close to half filling (ρ=0.40), and for T/t = 0.03, in order to study the dynamics of one- and two-particle Green functions. For the values of the chosen parameters we see the formation of three branches which we associate with the a two-peak structure in the imaginary part of the self-energy. We have compared our fully self-consistent FLEX solutions with a lower order approximation where the internal Green functions are approximated by free Green functions. These two approaches the fully self consistent and the non-self consistent ones give different results for the parameters considered here. However, they have similar global results for small densities. (author)
Self-consistent gyrokinetic modeling of neoclassical and turbulent impurity transport
Estève, D.; Sarazin, Y.; Garbet, X.; Grandgirard, V.; Breton, S.; Donnel, P.; Asahi, Y.; Bourdelle, C.; Dif-Pradalier, G.; Ehrlacher, C.; Emeriau, C.; Ghendrih, Ph.; Gillot, C.; Latu, G.; Passeron, C.
2018-03-01
Trace impurity transport is studied with the flux-driven gyrokinetic GYSELA code (Grandgirard et al 2016 Comput. Phys. Commun. 207 35). A reduced and linearized multi-species collision operator has been recently implemented, so that both neoclassical and turbulent transport channels can be treated self-consistently on an equal footing. In the Pfirsch-Schlüter regime that is probably relevant for tungsten, the standard expression for the neoclassical impurity flux is shown to be recovered from gyrokinetics with the employed collision operator. Purely neoclassical simulations of deuterium plasma with trace impurities of helium, carbon and tungsten lead to impurity diffusion coefficients, inward pinch velocities due to density peaking, and thermo-diffusion terms which quantitatively agree with neoclassical predictions and NEO simulations (Belli et al 2012 Plasma Phys. Control. Fusion 54 015015). The thermal screening factor appears to be less than predicted analytically in the Pfirsch-Schlüter regime, which can be detrimental to fusion performance. Finally, self-consistent nonlinear simulations have revealed that the tungsten impurity flux is not the sum of turbulent and neoclassical fluxes computed separately, as is usually assumed. The synergy partly results from the turbulence-driven in-out poloidal asymmetry of tungsten density. This result suggests the need for self-consistent simulations of impurity transport, i.e. including both turbulence and neoclassical physics, in view of quantitative predictions for ITER.
Energy Technology Data Exchange (ETDEWEB)
Yu Fajun [College of Maths and Systematic Science, Shenyang Normal University, Shenyang 110034 (China)], E-mail: yfajun@163.com; Li Li [College of Maths and Systematic Science, Shenyang Normal University, Shenyang 110034 (China)
2009-04-20
We present a kind of integrable couplings of soliton equations hierarchy with self-consistent sources by using of loop algebra sl-tilde(4). As an application, a hierarchy of C-KdV equations with self-consistent sources is derived through loop algebra sl-tilde(2). Furthermore, we construct a new integrable couplings of the C-KdV soliton hierarchy with self-consistent sources by using of the enlarged loop algebra sl-tilde(4)
Self-consistent Hartree energy band calculation for manganese oxide (MnO)
International Nuclear Information System (INIS)
Bakhshai, A.
1982-01-01
A self-consistent Hartree energy band calculation was done for the MnO crystal using the linear combination of atomic orbitals (LCAO) method. Gaussian type atomic orbitals were used in the LCAO method. This calculation was done for paramagnetic MnO with the NaCl lattice structure. The results show that the energy bands around the Fermi level of MnO are unusually flat, meaning that the electrons in this region are strongly localized. Therefore short range correlation was added to the results of this band calculation. The short range correlation effects were added by calculating atomic type corrections to the original band structure. The results of this correlation calculation show that a large amount of energy is required to excite an electron from the Mn 3d band. Therefore the lowest excitation (the one that requires the least energy) is an excitation from the top of the O 2p band to the Fermi level. This yields a fundamental band gap of 4.8 eV which is in good agreement with optical absorption experiments. This fundamental band gap of 4.8 eV implies that MnO is an insulator, in agreement with conductivity experiments. The Hartree results for the valence bands of MnO agree very well with the results of photoemission experiments. In comparison to the photoemission data, the results of the self-consistent Hartree calculation are an order of magnitude better than the results of the only other band calculation for MnO. Comparison with band calculations for other transition metal oxides (other than MnO) imply that with a good self-consistent Hartree energy band calculation for MnO can be superior
She, Pan; Zeng, Hongling; Yang, Bingxiang
2016-02-01
The aim of the study was to explore the efficacy of structural group therapy on the self-consistency and congruence of inpatient adolescents with a diagnosis of schizophrenia. Sixty inpatient adolescents with schizophrenia were randomly assigned to an intervention group (n = 30) and a control group (n = 30). The intervention group was provided with a 12-session structural group therapy program for six weeks (1 h, two times per week), while the control group participated in a handicraft group. All patients were assessed with the Self-Consistency and Congruence Scale (SCCS) and the Positive and Negative Syndrome Scale (PANSS) at pretest, posttest, three-month and one-year follow-up. The results were analyzed using t-test and repeated measures ANOVA. The two groups had no significant difference at the pre-test of outcome measures (p > 0.05). Significant differences existed between the two groups in ego-dystonic, self-flexibility, SCCS scores, positive syndrome, general psychopathology and PANSS scores after the intervention (p < 0.05). At the three-month follow-up, ego-dystonic, self-flexibility and PANSS scores were also found to be significantly different between the two groups (p < 0.05). But the outcome measures were not significantly different between the two groups at the one-year follow-up. Structural group therapy in a mental health setting had a positive effect on improving self-consistency and congruence, positive symptoms and general psychopathology of inpatient adolescents with a diagnosis of schizophrenia. Copyright © 2015 Elsevier Ltd. All rights reserved.
Directory of Open Access Journals (Sweden)
X.-G. Han
2014-06-01
Full Text Available Using the self-consistent field lattice model, polymer concentration φP and chain length N (keeping the length ratio of hydrophobic to hydrophilic blocks constant the effects on temperature-dependent behavior of micelles are studied, in amphiphilic symmetric ABA triblock copolymer solutions. When chain length is increased, at fixed φP, micelles occur at higher temperature. The variations of average volume fraction of stickers φcos and the lattice site numbers Ncols at the micellar cores with temperature are dependent on N and φP, which demonstrates that the aggregation of micelles depends on N and φP. Moreover, when φP is increased, firstly a peak appears on the curve of specific heat CV for unimer-micelle transition, and then in addition a primary peak, the secondary peak, which results from the remicellization, is observed on the curve of CV. For a long chain, in intermediate and high concentration regimes, the shape of specific heat peak markedly changes, and the peak tends to be a more broad peak. Finally, the aggregation behavior of micelles is explained by the aggregation way of amphiphilic triblock copolymer. The obtained results are helpful in understanding the micellar aggregation process.
International Nuclear Information System (INIS)
Lerche, I.; Low, B.C.
1977-01-01
A theoretical model of quiescent prominences in the form of an infinite vertical sheet is presented. Self-consistent solutions are obtained by integrating simultaneously the set of nonlinear equations of magnetostatic equilibrium and thermal balance. The basic features of the models are: (1) The prominence matter is confined to a sheet and supported against gravity by a bowed magnetic field. (2) The thermal flux is channelled along magnetic field lines. (3) The thermal flux is everywhere balanced by Low's (1975) hypothetical heat sink which is proportional to the local density. (4) A constant component of the magnetic field along the length of the prominence shields the cool plasma from the hot surrounding. It is assumed that the prominence plasma emits more radiation than it absorbes from the radiation fields of the photosphere, chromosphere and corona, and the above hypothetical heat sink is interpreted to represent the amount of radiative loss that must be balanced by a nonradiative energy input. Using a central density and temperature of 10 11 particles cm -3 and 5000 K respectively, a magnetic field strength between 2 to 10 gauss and a thermal conductivity that varies linearly with temperature, the physical properties implied by the model are discussed. The analytic treatment can also be carried out for a class of more complex thermal conductivities. These models provide a useful starting point for investigating the combined requirements of magnetostatic equilibrium and thermal balance in the quiescent prominence. (Auth.)
Self-consistent Hartree-Fock approach for interacting bosons in optical lattices
Lü, Qin-Qin; Patton, Kelly R.; Sheehy, Daniel E.
2014-12-01
A theoretical study of interacting bosons in a periodic optical lattice is presented. Instead of the commonly used tight-binding approach (applicable near the Mott-insulating regime of the phase diagram), the present work starts from the exact single-particle states of bosons in a cubic optical lattice, satisfying the Mathieu equation, an approach that can be particularly useful at large boson fillings. The effects of short-range interactions are incorporated using a self-consistent Hartree-Fock approximation, and predictions for experimental observables such as the superfluid transition temperature, condensate fraction, and boson momentum distribution are presented.
Self-consistent geodesic equation and quantum tunneling from charged AdS black holes
Deng, Gao-Ming
2017-12-01
Some urgent shortcomings in previous derivations of geodesic equations are remedied in this paper. In contrast to the unnatural and awkward treatment in previous works, here we derive the geodesic equations of massive and massless particles in a unified and self- consistent manner. Furthermore, we extend to investigate the Hawking radiation via tunneling from charged black holes in the context of AdS spacetime. Of special interest, the application of the first law of black hole thermodynamics in tunneling integration manifestly simplifies the calculation.
Self-consistent electronic structure of the contracted tungsten (001) surface
International Nuclear Information System (INIS)
Posternak, M.; Krakauer, H.; Freeman, A.J.
1982-01-01
Self-consistent linearized-augmented-plane-wave energy-band studies using the warped muffin-tin approximation for a seven-layer W(001) single slab with the surface-layer separation contracted by 6% of the bulk interlayer spacing are reported. Surface electronic structure, local densities of states, generalized susceptibility for the surface, work function, and core-level shifts are found to have insignificant differences with corresponding results for the unrelaxed surface. Several differences in surface states between theory and recent angle-resolved photoemission experiments are discussed in the light of new proposed models of the actual unreconstructed surface structure at high temperatures
Interstellar turbulence model : A self-consistent coupling of plasma and neutral fluids
International Nuclear Information System (INIS)
Shaikh, Dastgeer; Zank, Gary P.; Pogorelov, Nikolai
2006-01-01
We present results of a preliminary investigation of interstellar turbulence based on a self-consistent two-dimensional fluid simulation model. Our model describes a partially ionized magnetofluid interstellar medium (ISM) that couples a neutral hydrogen fluid to a plasma through charge exchange interactions and assumes that the ISM turbulent correlation scales are much bigger than the shock characteristic length-scales, but smaller than the charge exchange mean free path length-scales. The shocks have no influence on the ISM turbulent fluctuations. We find that nonlinear interactions in coupled plasma-neutral ISM turbulence are influenced substantially by charge exchange processes
Self-consistent particle distribution of a bunched beam in RF field
Batygin, Y K
2002-01-01
An analytical solution for the self-consistent particle equilibrium distribution in an RF field with transverse focusing is found. The solution is attained in the approximation of a high brightness beam. The distribution function in phase space is determined as a stationary function of the energy integral. Equipartitioning of the beam distribution between degrees of freedom follows directly from the choice of the stationary distribution function. Analytical expressions for r-z equilibrium beam profile and maximum beam current in RF field are obtained.
Self-consistency in the phonon space of the particle-phonon coupling model
Tselyaev, V.; Lyutorovich, N.; Speth, J.; Reinhard, P.-G.
2018-04-01
In the paper the nonlinear generalization of the time blocking approximation (TBA) is presented. The TBA is one of the versions of the extended random-phase approximation (RPA) developed within the Green-function method and the particle-phonon coupling model. In the generalized version of the TBA the self-consistency principle is extended onto the phonon space of the model. The numerical examples show that this nonlinear version of the TBA leads to the convergence of results with respect to enlarging the phonon space of the model.
DEFF Research Database (Denmark)
Strange, M.; Rostgaard, Carsten; Hakkinen, H.
2011-01-01
of benzenedithiol and benzenediamine is one-fifth that predicted by standard density functional theory (DFT), in very good agreement with experiments. In contrast, the widely studied benzenedithiolate structure is found to have a significantly higher conductance due to the unsaturated sulfur bonds. These findings...... (exchange) on the molecule and dynamical screening at the metal-molecule interface. The main effect of the GW self-energy is to renormalize the level positions; however, its influence on the shape of molecular resonances also affects the conductance. Non-self-consistent G(0)W(0) calculations, starting from...
International Nuclear Information System (INIS)
Erba, M.; Mattioli, M.; Segui, J.L.
1997-10-01
This paper addresses the problem of removing sawtooth oscillations from multichannel plasma data in a self-consistent way, thereby preserving transients that have a different physical origin. The technique which does this is called the Generalized Singular Value Decomposition (GSVD), and its properties are discussed. Using the GSVD, we analyze spatially resolved electron temperature measurements from the Tore Supra tokamak, made in transient regimes that are perturbed either by the laser blow-off injection of impurities or by pellet injection. Non-local transport issues are briefly discussed. (author)
Alfven-wave particle interaction in finite-dimensional self-consistent field model
International Nuclear Information System (INIS)
Padhye, N.; Horton, W.
1998-01-01
A low-dimensional Hamiltonian model is derived for the acceleration of ions in finite amplitude Alfven waves in a finite pressure plasma sheet. The reduced low-dimensional wave-particle Hamiltonian is useful for describing the reaction of the accelerated ions on the wave amplitudes and phases through the self-consistent fields within the envelope approximation. As an example, the authors show for a single Alfven wave in the central plasma sheet of the Earth's geotail, modeled by the linear pinch geometry called the Harris sheet, the time variation of the wave amplitude during the acceleration of fast protons
Self-consistent orbital evolution of a particle around a Schwarzschild black hole.
Diener, Peter; Vega, Ian; Wardell, Barry; Detweiler, Steven
2012-05-11
The motion of a charged particle is influenced by the self-force arising from the particle's interaction with its own field. In a curved spacetime, this self-force depends on the entire past history of the particle and is difficult to evaluate. As a result, all existing self-force evaluations in curved spacetime are for particles moving along a fixed trajectory. Here, for the first time, we overcome this long-standing limitation and present fully self-consistent orbits and waveforms of a scalar charged particle around a Schwarzschild black hole.
Self-consistent Capacitance-Voltage Characterization of Gate-all-around Graded Nanowire Transistor
Khan, Saeed Uz Zaman; Hossain, Md. Shafayat; Hossen, Md. Obaidul; Rahman, Fahim Ur; Zaman, Rifat; Khosru, Quazi D. M.
2014-01-01
This paper presents a self-consistent numerical model for calculating the charge profile and gate capacitance and therefore obtaining C-V characterization for a gate-all-around graded nanowire MOSFET with a high mobility axially graded In0.75Ga0.25As + In0.53Ga0.47As channel incorporating strain and atomic layer deposited Al2O3/20nm Ti gate. C-V characteristics with introduction and variation of In-composition grading and also grading in doping concentration are explored.Finite element method...
Optical absorption of dilute nitride alloys using self-consistent Green’s function method
Seifikar, Masoud; O’Reilly, Eoin P; Fahy, Stephen
2014-01-01
We have calculated the optical absorption for InGaNAs and GaNSb using the band anticrossing (BAC) model and a self-consistent Green’s function (SCGF) method. In the BAC model, we include the interaction of isolated and pair N levels with the host matrix conduction and valence bands. In the SCGF approach, we include a full distribution of N states, with non-parabolic conduction and light-hole bands, and parabolic heavy-hole and spin-split-off bands. The comparison with experiments shows that t...
Self-consistent treatment of spin and magnetization dynamic effect in spin transfer switching
International Nuclear Information System (INIS)
Guo Jie; Tan, Seng Ghee; Jalil, Mansoor Bin Abdul; Koh, Dax Enshan; Han, Guchang; Meng, Hao
2011-01-01
The effect of itinerant spin moment (m) dynamic in spin transfer switching has been ignored in most previous theoretical studies of the magnetization (M) dynamics. Thus in this paper, we proposed a more refined micromagnetic model of spin transfer switching that takes into account in a self-consistent manner of the coupled m and M dynamics. The numerical results obtained from this model further shed insight on the switching profiles of m and M, both of which show particular sensitivity to parameters such as the anisotropy field, the spin torque field, and the initial deviation between m and M.
Self-consistent assessment of Englert-Schwinger model on atomic properties.
Lehtomäki, Jouko; Lopez-Acevedo, Olga
2017-12-21
Our manuscript investigates a self-consistent solution of the statistical atom model proposed by Berthold-Georg Englert and Julian Schwinger (the ES model) and benchmarks it against atomic Kohn-Sham and two orbital-free models of the Thomas-Fermi-Dirac (TFD)-λvW family. Results show that the ES model generally offers the same accuracy as the well-known TFD-15vW model; however, the ES model corrects the failure in the Pauli potential near-nucleus region. We also point to the inability of describing low-Z atoms as the foremost concern in improving the present model.
Self-consistent steady state and dust-ion-acoustic soliton propagation in inhomogeneous plasmas
International Nuclear Information System (INIS)
Li Yangfang; Ma, J.X.
2005-01-01
The steady state of an inhomogeneous collisional dusty plasma is formulated self-consistently and the dust-ion-acoustic soliton propagation in such a plasma is studied by using the reductive perturbation method. The steady state is governed by the ambipolar diffusion theory, which includes the spatially varying collisions of electrons and ions with dust grains and is solved numerically with the boundary value problem. The effects of the nonuniformity of the equilibrium quantities on the solitons are considered. It is shown that the property of the solitons, especially the characteristic width, are sensitive to the variations of the steady state
Locally self-consistent Green’s function approach to the electronic structure problem
DEFF Research Database (Denmark)
Abrikosov, I.A.; Simak, S.I.; Johansson, B.
1997-01-01
The locally self-consistent Green's function (LSGF) method is an order-N method for calculation of the electronic structure of systems with an arbitrary distribution of atoms of different kinds on an underlying crystal lattice. For each atom Dyson's equation is used to solve the electronic multiple...... scattering problem in a local interaction zone (LIZ) embedded in an effective medium judiciously chosen to minimize the size of the, LIZ. The excellent real-space convergence of the LSGF calculations and the reliability of its results are demonstrated for a broad spectrum of metallic alloys with different...
DEFF Research Database (Denmark)
Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika
1994-01-01
to corresponding individual gauges for localized orbitals (IGLO) results. The London results show better basis set convergence than IGLO, especially for heavier atoms. It is shown that the choice of active space is crucial for determination of accurate nuclear shielding constants.......Nuclear shielding calculations are presented for multiconfigurational self-consistent field wave functions using London atomic orbitals (gauge invariant atomic orbitals). Calculations of nuclear shieldings for eight molecules (H2O, H2S, CH4, N2, CO, HF, F2, and SO2) are presented and compared...
Pathological behavior of the open-shell restricted self-consistent-field equations
Energy Technology Data Exchange (ETDEWEB)
Moscardo, F.; Alvarez-Collado, J.R.
1979-02-01
The possible solutions of open-shell restricted self-consistent-field equations for a doublet are studied for Li and Na atoms, according to the values of the parameters implied in those equations. A similar behavior, characterized by the presence of several variational solutions is observed in both atoms. Some of these solutions can be assigned to excited configurations. Excitation energies are in good agreement with experimental data. Doublet stability for the solutions obtained has been studied, discussing the saddle-point character present in those solutions associated to excited configurations.
Self-consistent nonlinearly polarizable shell-model dynamics for ferroelectric materials
International Nuclear Information System (INIS)
Mkam Tchouobiap, S.E.; Kofane, T.C.; Ngabireng, C.M.
2002-11-01
We investigate the dynamical properties of the polarizable shellmodel with a symmetric double Morse-type electron-ion interaction in one ionic species. A variational calculation based on the Self-Consistent Einstein Model (SCEM) shows that a theoretical ferroelectric (FE) transition temperature can be derive which demonstrates the presence of a first-order phase transition for the potassium selenate (K 2 SeO 4 ) crystal around Tc 91.5 K. Comparison of the model calculation with the experimental critical temperature yields satisfactory agreement. (author)
A self-consistent model for thermodynamics of multicomponent solid solutions
International Nuclear Information System (INIS)
Svoboda, J.; Fischer, F.D.
2016-01-01
The self-consistent concept recently published in this journal (108, 27–30, 2015) is extended from a binary to a multicomponent system. This is possible by exploiting the trapping concept as basis for including the interaction of atoms in terms of pairs (e.g. A–A, B–B, C–C…) and couples (e.g. A–B, B–C, …) in a multicomponent system with A as solvent and B, C, … as dilute solutes. The model results in a formulation of Gibbs-energy, which can be minimized. Examples show that the couple and pair formation may influence the equilibrium Gibbs energy markedly.
The concept of coupling impedance in the self-consistent plasma wake field excitation
International Nuclear Information System (INIS)
Fedele, R.; Akhter, T.; De Nicola, S.; Migliorati, M.; Marocchino, A.; Massimo, F.; Palumbo, L.
2016-01-01
Within the framework of the Vlasov–Maxwell system of equations, we describe the self-consistent interaction of a relativistic charged-particle beam with the surroundings while propagating through a plasma-based acceleration device. This is done in terms of the concept of coupling (longitudinal) impedance in full analogy with the conventional accelerators. It is shown that also here the coupling impedance is a very useful tool for the Nyquist-type stability analysis. Examples of specific physical situations are finally illustrated.
MULTIDIMENSIONAL MODELING OF CORONAL RAIN DYNAMICS
International Nuclear Information System (INIS)
Fang, X.; Xia, C.; Keppens, R.
2013-01-01
We present the first multidimensional, magnetohydrodynamic simulations that capture the initial formation and long-term sustainment of the enigmatic coronal rain phenomenon. We demonstrate how thermal instability can induce a spectacular display of in situ forming blob-like condensations which then start their intimate ballet on top of initially linear force-free arcades. Our magnetic arcades host a chromospheric, transition region, and coronal plasma. Following coronal rain dynamics for over 80 minutes of physical time, we collect enough statistics to quantify blob widths, lengths, velocity distributions, and other characteristics which directly match modern observational knowledge. Our virtual coronal rain displays the deformation of blobs into V-shaped features, interactions of blobs due to mostly pressure-mediated levitations, and gives the first views of blobs that evaporate in situ or are siphoned over the apex of the background arcade. Our simulations pave the way for systematic surveys of coronal rain showers in true multidimensional settings to connect parameterized heating prescriptions with rain statistics, ultimately allowing us to quantify the coronal heating input.
MULTIDIMENSIONAL MODELING OF CORONAL RAIN DYNAMICS
Energy Technology Data Exchange (ETDEWEB)
Fang, X.; Xia, C.; Keppens, R. [Centre for mathematical Plasma Astrophysics, Department of Mathematics, KU Leuven, B-3001 Leuven (Belgium)
2013-07-10
We present the first multidimensional, magnetohydrodynamic simulations that capture the initial formation and long-term sustainment of the enigmatic coronal rain phenomenon. We demonstrate how thermal instability can induce a spectacular display of in situ forming blob-like condensations which then start their intimate ballet on top of initially linear force-free arcades. Our magnetic arcades host a chromospheric, transition region, and coronal plasma. Following coronal rain dynamics for over 80 minutes of physical time, we collect enough statistics to quantify blob widths, lengths, velocity distributions, and other characteristics which directly match modern observational knowledge. Our virtual coronal rain displays the deformation of blobs into V-shaped features, interactions of blobs due to mostly pressure-mediated levitations, and gives the first views of blobs that evaporate in situ or are siphoned over the apex of the background arcade. Our simulations pave the way for systematic surveys of coronal rain showers in true multidimensional settings to connect parameterized heating prescriptions with rain statistics, ultimately allowing us to quantify the coronal heating input.
A self-consistency check for unitary propagation of Hawking quanta
Baker, Daniel; Kodwani, Darsh; Pen, Ue-Li; Yang, I.-Sheng
2017-11-01
The black hole information paradox presumes that quantum field theory in curved space-time can provide unitary propagation from a near-horizon mode to an asymptotic Hawking quantum. Instead of invoking conjectural quantum-gravity effects to modify such an assumption, we propose a self-consistency check. We establish an analogy to Feynman’s analysis of a double-slit experiment. Feynman showed that unitary propagation of the interfering particles, namely ignoring the entanglement with the double-slit, becomes an arbitrarily reliable assumption when the screen upon which the interference pattern is projected is infinitely far away. We argue for an analogous self-consistency check for quantum field theory in curved space-time. We apply it to the propagation of Hawking quanta and test whether ignoring the entanglement with the geometry also becomes arbitrarily reliable in the limit of a large black hole. We present curious results to suggest a negative answer, and we discuss how this loss of naive unitarity in QFT might be related to a solution of the paradox based on the soft-hair-memory effect.
Validation study of the magnetically self-consistent inner magnetosphere model RAM-SCB
Yu, Yiqun; Jordanova, Vania; Zaharia, Sorin; Koller, Josef; Zhang, Jichun; Kistler, Lynn M.
2012-03-01
The validation of the magnetically self-consistent inner magnetospheric model RAM-SCB developed at Los Alamos National Laboratory is presented here. The model consists of two codes: a kinetic ring current-atmosphere interaction model (RAM) and a 3-D equilibrium magnetic field code (SCB). The validation is conducted by simulating two magnetic storm events and then comparing the model results against a variety of satellite in situ observations, including the magnetic field from Cluster and Polar spacecraft, ion differential flux from the Cluster/CODIF (Composition and Distribution Function) analyzer, and the ground-based SYM-H index. The model prediction of the magnetic field is in good agreement with observations, which indicates the model's capability of representing well the inner magnetospheric field configuration. This provides confidence for the RAM-SCB model to be utilized for field line and drift shell tracing, which are needed in radiation belt studies. While the SYM-H index, which reflects the total ring current energy content, is generally reasonably reproduced by the model using the Weimer electric field model, the modeled ion differential flux clearly depends on the electric field strength, local time, and magnetic activity level. A self-consistent electric field approach may be needed to improve the model performance in this regard.
Bosons system with finite repulsive interaction: self-consistent field method
International Nuclear Information System (INIS)
Renatino, M.M.B.
1983-01-01
Some static properties of a boson system (T = zero degree Kelvin), under the action of a repulsive potential are studied. For the repulsive potential, a model was adopted consisting of a region where it is constant (r c ), and a decay as 1/r (r > r c ). The self-consistent field approximation used takes into account short range correlations through a local field corrections, which leads to an effective field. The static structure factor S(q-vector) and the effective potential ψ(q-vector) are obtained through a self-consistent calculation. The pair-correlation function g(r-vector) and the energy of the collective excitations E(q-vector) are also obtained, from the structure factor. The density of the system and the parameters of the repulsive potential, that is, its height and the size of the constant region were used as variables for the problem. The results obtained for S(q-vector), g(r-vector) and E(q-vector) for a fixed ratio r o /r c and a variable λ, indicates the raising of a system structure, which is more noticeable when the potential became more repulsive. (author)
Effects of self-consistency in a Green's function description of saturation in nuclear matter
International Nuclear Information System (INIS)
Dewulf, Y.; Neck, D. van; Waroquier, M.
2002-01-01
The binding energy in nuclear matter is evaluated within the framework of self-consistent Green's function theory, using a realistic nucleon-nucleon interaction. The two-body dynamics is solved at the level of summing particle-particle and hole-hole ladders. We go beyond the on-shell approximation and use intermediary propagators with a discrete-pole structure. A three-pole approximation is used, which provides a good representation of the quasiparticle excitations, as well as reproducing the zeroth- and first-order energy-weighted moments in both the nucleon removal and addition domains of the spectral function. Results for the binding energy are practically independent of the details of the discretization scheme. The main effect of the increased self-consistency is to introduce an additional density dependence, which causes a shift towards lower densities and smaller binding energies, as compared to a (continuous choice) Brueckner calculation with the same interaction. Particle number conservation and the Hugenholz-Van Hove theorem are satisfied with reasonable accuracy
Self-consistent theory of finite Fermi systems and Skyrme–Hartree–Fock method
Energy Technology Data Exchange (ETDEWEB)
Saperstein, E. E., E-mail: saper@mbslab.kiae.ru; Tolokonnikov, S. V. [National Research Center Kurchatov Institute (Russian Federation)
2016-11-15
Recent results obtained on the basis of the self-consistent theory of finite Fermi systems by employing the energy density functional proposed by Fayans and his coauthors are surveyed. These results are compared with the predictions of Skyrme–Hartree–Fock theory involving several popular versions of the Skyrme energy density functional. Spherical nuclei are predominantly considered. The charge radii of even and odd nuclei and features of low-lying 2{sup +} excitations in semimagic nuclei are discussed briefly. The single-particle energies ofmagic nuclei are examined inmore detail with allowance for corrections to mean-field theory that are induced by particle coupling to low-lying collective surface excitations (phonons). The importance of taking into account, in this problem, nonpole (tadpole) diagrams, which are usually disregarded, is emphasized. The spectroscopic factors of magic and semimagic nuclei are also considered. In this problem, only the surface term stemming from the energy dependence induced in the mass operator by the exchange of surface phonons is usually taken into account. The volume contribution associated with the energy dependence initially present in the mass operator within the self-consistent theory of finite Fermi systems because of the exchange of high-lying particle–hole excitations is also included in the spectroscopic factor. The results of the first studies that employed the Fayans energy density functional for deformed nuclei are also presented.
The self-consistent field model for Fermi systems with account of three-body interactions
Directory of Open Access Journals (Sweden)
Yu.M. Poluektov
2015-12-01
Full Text Available On the basis of a microscopic model of self-consistent field, the thermodynamics of the many-particle Fermi system at finite temperatures with account of three-body interactions is built and the quasiparticle equations of motion are obtained. It is shown that the delta-like three-body interaction gives no contribution into the self-consistent field, and the description of three-body forces requires their nonlocality to be taken into account. The spatially uniform system is considered in detail, and on the basis of the developed microscopic approach general formulas are derived for the fermion's effective mass and the system's equation of state with account of contribution from three-body forces. The effective mass and pressure are numerically calculated for the potential of "semi-transparent sphere" type at zero temperature. Expansions of the effective mass and pressure in powers of density are obtained. It is shown that, with account of only pair forces, the interaction of repulsive character reduces the quasiparticle effective mass relative to the mass of a free particle, and the attractive interaction raises the effective mass. The question of thermodynamic stability of the Fermi system is considered and the three-body repulsive interaction is shown to extend the region of stability of the system with the interparticle pair attraction. The quasiparticle energy spectrum is calculated with account of three-body forces.
Self-consistent modeling of plasma response to impurity spreading from intense localized source
International Nuclear Information System (INIS)
Koltunov, Mikhail
2012-07-01
Non-hydrogen impurities unavoidably exist in hot plasmas of present fusion devices. They enter it intrinsically, due to plasma interaction with the wall of vacuum vessel, as well as are seeded for various purposes deliberately. Normally, the spots where injected particles enter the plasma are much smaller than its total surface. Under such conditions one has to expect a significant modification of local plasma parameters through various physical mechanisms, which, in turn, affect the impurity spreading. Self-consistent modeling of interaction between impurity and plasma is, therefore, not possible with linear approaches. A model based on the fluid description of electrons, main and impurity ions, and taking into account the plasma quasi-neutrality, Coulomb collisions of background and impurity charged particles, radiation losses, particle transport to bounding surfaces, is elaborated in this work. To describe the impurity spreading and the plasma response self-consistently, fluid equations for the particle, momentum and energy balances of various plasma components are solved by reducing them to ordinary differential equations for the time evolution of several parameters characterizing the solution in principal details: the magnitudes of plasma density and plasma temperatures in the regions of impurity localization and the spatial scales of these regions. The results of calculations for plasma conditions typical in tokamak experiments with impurity injection are presented. A new mechanism for the condensation phenomenon and formation of cold dense plasma structures is proposed.
An eigenvalue approach to quantum plasmonics based on a self-consistent hydrodynamics method
Ding, Kun; Chan, C. T.
2018-02-01
Plasmonics has attracted much attention not only because it has useful properties such as strong field enhancement, but also because it reveals the quantum nature of matter. To handle quantum plasmonics effects, ab initio packages or empirical Feibelman d-parameters have been used to explore the quantum correction of plasmonic resonances. However, most of these methods are formulated within the quasi-static framework. The self-consistent hydrodynamics model offers a reliable approach to study quantum plasmonics because it can incorporate the quantum effect of the electron gas into classical electrodynamics in a consistent manner. Instead of the standard scattering method, we formulate the self-consistent hydrodynamics method as an eigenvalue problem to study quantum plasmonics with electrons and photons treated on the same footing. We find that the eigenvalue approach must involve a global operator, which originates from the energy functional of the electron gas. This manifests the intrinsic nonlocality of the response of quantum plasmonic resonances. Our model gives the analytical forms of quantum corrections to plasmonic modes, incorporating quantum electron spill-out effects and electrodynamical retardation. We apply our method to study the quantum surface plasmon polariton for a single flat interface.
A pedestal temperature model with self-consistent calculation of safety factor and magnetic shear
International Nuclear Information System (INIS)
Onjun, T; Siriburanon, T; Onjun, O
2008-01-01
A pedestal model based on theory-motivated models for the pedestal width and the pedestal pressure gradient is developed for the temperature at the top of the H-mode pedestal. The pedestal width model based on magnetic shear and flow shear stabilization is used in this study, where the pedestal pressure gradient is assumed to be limited by first stability of infinite n ballooning mode instability. This pedestal model is implemented in the 1.5D BALDUR integrated predictive modeling code, where the safety factor and magnetic shear are solved self-consistently in both core and pedestal regions. With the self-consistently approach for calculating safety factor and magnetic shear, the effect of bootstrap current can be correctly included in the pedestal model. The pedestal model is used to provide the boundary conditions in the simulations and the Multi-mode core transport model is used to describe the core transport. This new integrated modeling procedure of the BALDUR code is used to predict the temperature and density profiles of 26 H-mode discharges. Simulations are carried out for 13 discharges in the Joint European Torus and 13 discharges in the DIII-D tokamak. The average root-mean-square deviation between experimental data and the predicted profiles of the temperature and the density, normalized by their central values, is found to be about 14%
Development of a self-consistent lightning NOx simulation in large-scale 3-D models
Luo, Chao; Wang, Yuhang; Koshak, William J.
2017-03-01
We seek to develop a self-consistent representation of lightning NOx (LNOx) simulation in a large-scale 3-D model. Lightning flash rates are parameterized functions of meteorological variables related to convection. We examine a suite of such variables and find that convective available potential energy and cloud top height give the best estimates compared to July 2010 observations from ground-based lightning observation networks. Previous models often use lightning NOx vertical profiles derived from cloud-resolving model simulations. An implicit assumption of such an approach is that the postconvection lightning NOx vertical distribution is the same for all deep convection, regardless of geographic location, time of year, or meteorological environment. Detailed observations of the lightning channel segment altitude distribution derived from the NASA Lightning Nitrogen Oxides Model can be used to obtain the LNOx emission profile. Coupling such a profile with model convective transport leads to a more self-consistent lightning distribution compared to using prescribed postconvection profiles. We find that convective redistribution appears to be a more important factor than preconvection LNOx profile selection, providing another reason for linking the strength of convective transport to LNOx distribution.
Self-consistent nonlinear transmission line model of standing wave effects in a capacitive discharge
International Nuclear Information System (INIS)
Chabert, P.; Raimbault, J.L.; Rax, J.M.; Lieberman, M.A.
2004-01-01
It has been shown previously [Lieberman et al., Plasma Sources Sci. Technol. 11, 283 (2002)], using a non-self-consistent model based on solutions of Maxwell's equations, that several electromagnetic effects may compromise capacitive discharge uniformity. Among these, the standing wave effect dominates at low and moderate electron densities when the driving frequency is significantly greater than the usual 13.56 MHz. In the present work, two different global discharge models have been coupled to a transmission line model and used to obtain the self-consistent characteristics of the standing wave effect. An analytical solution for the wavelength λ was derived for the lossless case and compared to the numerical results. For typical plasma etching conditions (pressure 10-100 mTorr), a good approximation of the wavelength is λ/λ 0 ≅40 V 0 1/10 l -1/2 f -2/5 , where λ 0 is the wavelength in vacuum, V 0 is the rf voltage magnitude in volts at the discharge center, l is the electrode spacing in meters, and f the driving frequency in hertz
The multi-configuration self-consistent field method within a polarizable embedded framework
Hedegârd, Erik Donovan; List, Nanna H.; Jensen, Hans Jørgen Aagaard; Kongsted, Jacob
2013-07-01
We present a detailed derivation of Multi-Configuration Self-Consistent Field (MCSCF) optimization and linear response equations within the polarizable embedding scheme: PE-MCSCF. The MCSCF model enables a proper description of multiconfigurational effects in reaction paths, spin systems, excited states, and other properties which cannot be described adequately with current implementations of polarizable embedding in density functional or coupled cluster theories. In the PE-MCSCF scheme the environment surrounding the central quantum mechanical system is represented by distributed multipole moments and anisotropic dipole-dipole polarizabilities. The PE-MCSCF model has been implemented in DALTON. As a preliminary application, the low lying valence states of acetone and uracil in water has been calculated using Complete Active Space Self-Consistent Field (CASSCF) wave functions. The dynamics of the water environment have been simulated using a series of snapshots generated from classical Molecular Dynamics. The calculated shifts from gas-phase to water display between good and excellent correlation with experiment and previous calculations. As an illustration of another area of potential applications we present calculations of electronic transitions in the transition metal complex, [Fe(NO)(CN)5]2 - in a micro-solvated environment. This system is highly multiconfigurational and the influence of solvation is significant.
Becerra, Marley; Frid, Henrik; Vázquez, Pedro A.
2017-12-01
This paper presents a self-consistent model of electrohydrodynamic (EHD) laminar plumes produced by electron injection from ultra-sharp needle tips in cyclohexane. Since the density of electrons injected into the liquid is well described by the Fowler-Nordheim field emission theory, the injection law is not assumed. Furthermore, the generation of electrons in cyclohexane and their conversion into negative ions is included in the analysis. Detailed steady-state characteristics of EHD plumes under weak injection and space-charge limited injection are studied. It is found that the plume characteristics far from both electrodes and under weak injection can be accurately described with an asymptotic simplified solution proposed by Vazquez et al. ["Dynamics of electrohydrodynamic laminar plumes: Scaling analysis and integral model," Phys. Fluids 12, 2809 (2000)] when the correct longitudinal electric field distribution and liquid velocity radial profile are used as input. However, this asymptotic solution deviates from the self-consistently calculated plume parameters under space-charge limited injection since it neglects the radial variations of the electric field produced by a high-density charged core. In addition, no significant differences in the model estimates of the plume are found when the simulations are obtained either with the finite element method or with a diffusion-free particle method. It is shown that the model also enables the calculation of the current-voltage characteristic of EHD laminar plumes produced by electron field emission, with good agreement with measured values reported in the literature.
Computation of the bluff-body sound generation by a self-consistent mean flow formulation
Fani, A.; Citro, V.; Giannetti, F.; Auteri, F.
2018-03-01
The sound generated by the flow around a circular cylinder is numerically investigated by using a finite-element method. In particular, we study the acoustic emissions generated by the flow past the bluff body at low Mach and Reynolds numbers. We perform a global stability analysis by using the compressible linearized Navier-Stokes equations. The resulting direct global mode provides detailed information related to the underlying hydrodynamic instability and data on the acoustic field generated. In order to recover the intensity of the produced sound, we apply the self-consistent model for non-linear saturation proposed by Mantič-Lugo, Arratia, and Gallaire ["Self-consistent mean flow description of the nonlinear saturation of the vortex shedding in the cylinder wake," Phys. Rev. Lett. 113, 084501 (2014)]. The application of this model allows us to compute the amplitude of the resulting linear mode and the effects of saturation on the mode structure and acoustic field. Our results show excellent agreement with those obtained by a full compressible simulation direct numerical simulation and those derived by the application of classical acoustic analogy formulations.
International Nuclear Information System (INIS)
Nesterenko, V. O.; Dolci, D. S.; Kleinig, W.; Kvasil, J.; Vesely, P.; Reinhard, P.-G.
2006-01-01
We formulate the self-consistent separable random phase approximation (SRPA) method and specify it for Skyrme forces with pairing for the case of axially symmetric deformed nuclei. The factorization of the residual interaction allows diagonalization of high-ranking RPA matrices to be avoided, which dramatically reduces the computational expense. This advantage is crucial for the systems with a huge configuration space, first of all for deformed nuclei. SRPA self-consistently takes into account the contributions of both time-even and time-odd Skyrme terms as well as of the Coulomb force and pairing. The method is implemented to describe isovector E1 and isoscalar E2 giant resonances in a representative set of deformed nuclei: 154 Sm, 238 U, and 254 No. Four different Skyrme parameterizations (SkT6, SkM*, SLy6, and SkI3) are employed to explore the dependence of the strength distributions on some basic characteristics of the Skyrme functional and nuclear matter. In particular, we discuss the role of isoscalar and isovector effective masses and their relation to time-odd contributions. The high sensitivity of the right flank of E1 resonance to different Skyrme forces and the related artificial structure effects are analyzed
An eigenvalue approach to quantum plasmonics based on a self-consistent hydrodynamics method.
Ding, Kun; Chan, C T
2018-02-28
Plasmonics has attracted much attention not only because it has useful properties such as strong field enhancement, but also because it reveals the quantum nature of matter. To handle quantum plasmonics effects, ab initio packages or empirical Feibelman d-parameters have been used to explore the quantum correction of plasmonic resonances. However, most of these methods are formulated within the quasi-static framework. The self-consistent hydrodynamics model offers a reliable approach to study quantum plasmonics because it can incorporate the quantum effect of the electron gas into classical electrodynamics in a consistent manner. Instead of the standard scattering method, we formulate the self-consistent hydrodynamics method as an eigenvalue problem to study quantum plasmonics with electrons and photons treated on the same footing. We find that the eigenvalue approach must involve a global operator, which originates from the energy functional of the electron gas. This manifests the intrinsic nonlocality of the response of quantum plasmonic resonances. Our model gives the analytical forms of quantum corrections to plasmonic modes, incorporating quantum electron spill-out effects and electrodynamical retardation. We apply our method to study the quantum surface plasmon polariton for a single flat interface.
Fritsch, Daniel; Morgan, Benjamin J.; Walsh, Aron
2017-01-01
The development of new exchange-correlation functionals within density functional theory means that increasingly accurate information is accessible at moderate computational cost. Recently, a newly developed self-consistent hybrid functional has been proposed (Skone et al., Phys. Rev. B 89:195112, 2014), which allows for a reliable and accurate calculation of material properties using a fully ab initio procedure. Here, we apply this new functional to wurtzite ZnO, rutile SnO2, and rocksalt MgO. We present calculated structural, electronic, and optical properties, which we compare to results obtained with the PBE and PBE0 functionals. For all semiconductors considered here, the self-consistent hybrid approach gives improved agreement with experimental structural data relative to the PBE0 hybrid functional for a moderate increase in computational cost, while avoiding the empiricism common to conventional hybrid functionals. The electronic properties are improved for ZnO and MgO, whereas for SnO2 the PBE0 hybrid functional gives the best agreement with experimental data.
Lopsidedness of Self-consistent Galaxies Caused by the External Field Effect of Clusters
Energy Technology Data Exchange (ETDEWEB)
Wu, Xufen [CAS Key Laboratory for Research in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, 230026 (China); Wang, Yougang [Key Laboratory of Computational Astrophysics, National Astronomical Observatories, Chinese Academy of Sciences, Beijing, 100012 (China); Feix, Martin [CNRS, UMR 7095 and UPMC, Institut d’Astrophysique de Paris, 98 bis Boulevard Arago, F-75014 Paris (France); Zhao, HongSheng, E-mail: xufenwu@ustc.edu.cn [School of Physics and Astronomy, University of St Andrews, North Haugh, Fife, KY16 9SS (United Kingdom)
2017-08-01
Adopting Schwarzschild’s orbit-superposition technique, we construct a series of self-consistent galaxy models, embedded in the external field of galaxy clusters in the framework of Milgrom’s MOdified Newtonian Dynamics (MOND). These models represent relatively massive ellipticals with a Hernquist radial profile at various distances from the cluster center. Using N -body simulations, we perform a first analysis of these models and their evolution. We find that self-gravitating axisymmetric density models, even under a weak external field, lose their symmetry by instability and generally evolve to triaxial configurations. A kinematic analysis suggests that the instability originates from both box and nonclassified orbits with low angular momentum. We also consider a self-consistent isolated system that is then placed in a strong external field and allowed to evolve freely. This model, just like the corresponding equilibrium model in the same external field, eventually settles to a triaxial equilibrium as well, but has a higher velocity radial anisotropy and is rounder. The presence of an external field in the MOND universe generically predicts some lopsidedness of galaxy shapes.
Self-consistent multidimensional electron kinetic model for inductively coupled plasma sources
Dai, Fa Foster
Inductively coupled plasma (ICP) sources have received increasing interest in microelectronics fabrication and lighting industry. In 2-D configuration space (r, z) and 2-D velocity domain (νθ,νz), a self- consistent electron kinetic analytic model is developed for various ICP sources. The electromagnetic (EM) model is established based on modal analysis, while the kinetic analysis gives the perturbed Maxwellian distribution of electrons by solving Boltzmann-Vlasov equation. The self- consistent algorithm combines the EM model and the kinetic analysis by updating their results consistently until the solution converges. The closed-form solutions in the analytical model provide rigorous and fast computing for the EM fields and the electron kinetic behavior. The kinetic analysis shows that the RF energy in an ICP source is extracted by a collisionless dissipation mechanism, if the electron thermovelocity is close to the RF phase velocities. A criterion for collisionless damping is thus given based on the analytic solutions. To achieve uniformly distributed plasma for plasma processing, we propose a novel discharge structure with both planar and vertical coil excitations. The theoretical results demonstrate improved uniformity for the excited azimuthal E-field in the chamber. Non-monotonic spatial decay in electric field and space current distributions was recently observed in weakly- collisional plasmas. The anomalous skin effect is found to be responsible for this phenomenon. The proposed model successfully models the non-monotonic spatial decay effect and achieves good agreements with the measurements for different applied RF powers. The proposed analytical model is compared with other theoretical models and different experimental measurements. The developed model is also applied to two kinds of ICP discharges used for electrodeless light sources. One structure uses a vertical internal coil antenna to excite plasmas and another has a metal shield to prevent the
Energy Technology Data Exchange (ETDEWEB)
Liu, Z.; Bessa, M. A.; Liu, W.K.
2017-10-25
A predictive computational theory is shown for modeling complex, hierarchical materials ranging from metal alloys to polymer nanocomposites. The theory can capture complex mechanisms such as plasticity and failure that span across multiple length scales. This general multiscale material modeling theory relies on sound principles of mathematics and mechanics, and a cutting-edge reduced order modeling method named self-consistent clustering analysis (SCA) [Zeliang Liu, M.A. Bessa, Wing Kam Liu, “Self-consistent clustering analysis: An efficient multi-scale scheme for inelastic heterogeneous materials,” Comput. Methods Appl. Mech. Engrg. 306 (2016) 319–341]. SCA reduces by several orders of magnitude the computational cost of micromechanical and concurrent multiscale simulations, while retaining the microstructure information. This remarkable increase in efficiency is achieved with a data-driven clustering method. Computationally expensive operations are performed in the so-called offline stage, where degrees of freedom (DOFs) are agglomerated into clusters. The interaction tensor of these clusters is computed. In the online or predictive stage, the Lippmann-Schwinger integral equation is solved cluster-wise using a self-consistent scheme to ensure solution accuracy and avoid path dependence. To construct a concurrent multiscale model, this scheme is applied at each material point in a macroscale structure, replacing a conventional constitutive model with the average response computed from the microscale model using just the SCA online stage. A regularized damage theory is incorporated in the microscale that avoids the mesh and RVE size dependence that commonly plagues microscale damage calculations. The SCA method is illustrated with two cases: a carbon fiber reinforced polymer (CFRP) structure with the concurrent multiscale model and an application to fatigue prediction for additively manufactured metals. For the CFRP problem, a speed up estimated to be about
Self-consistent model of the Rayleigh--Taylor instability in ablatively accelerated laser plasma
International Nuclear Information System (INIS)
Bychkov, V.V.; Golberg, S.M.; Liberman, M.A.
1994-01-01
A self-consistent approach to the problem of the growth rate of the Rayleigh--Taylor instability in laser accelerated targets is developed. The analytical solution of the problem is obtained by solving the complete system of the hydrodynamical equations which include both thermal conductivity and energy release due to absorption of the laser light. The developed theory provides a rigorous justification for the supplementary boundary condition in the limiting case of the discontinuity model. An analysis of the suppression of the Rayleigh--Taylor instability by the ablation flow is done and it is found that there is a good agreement between the obtained solution and the approximate formula σ = 0.9√gk - 3u 1 k, where g is the acceleration, u 1 is the ablation velocity. This paper discusses different regimes of the ablative stabilization and compares them with previous analytical and numerical works
Multifractality and quantum diffusion from self-consistent theory of localization
Energy Technology Data Exchange (ETDEWEB)
Suslov, I. M., E-mail: suslov@kapitza.ras.ru [Kapitza Institute for Physical Problems (Russian Federation)
2015-11-15
Multifractal properties of wave functions in a disordered system can be derived from self-consistent theory of localization by Vollhardt and Wölfle. A diagrammatic interpretation of results allows to obtain all scaling relations used in numerical experiments. The arguments are given that the one-loop Wegner result for a space dimension d = 2 + ϵ is exact, so the multifractal spectrum is strictly parabolical. The σ-models are shown to be deficient at the four-loop level and the possible reasons of that are discussed. The extremely slow convergence to the thermodynamic limit is demonstrated. The open question on the relation between multifractality and a spatial dispersion of the diffusion coefficient D(ω, q) is resolved in the compromise manner due to ambiguity of the D(ω, q) definition. Comparison is made with the extensive numerical material.
Studies of self-consistent field structure in a quasi-optical gyrotron
International Nuclear Information System (INIS)
Antonsen, T.M. Jr.
1993-04-01
The presence of an electron beam in a quasi-optical gyrotron cavity alters the structure of the fields from that of the empty cavity. A computer code has been written which calculates this alteration for either an electron beam or a thin dielectric tube placed in the cavity. Experiments measuring the quality factor of such a cavity performed for the case of a dielectric tube and the results agree with the predictions of the code. Simulations of the case of an electron beam indicate that self-consistent effects can be made small in that almost all the power leaves the cavity in a symmetric gaussian-like mode provided the resonator parameters are chosen carefully. (author) 6 figs., 1 tab., 13 refs
Scribano, Yohann; Lauvergnat, David M; Benoit, David M
2010-09-07
In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self-consistent field (VSCF)/vibrational configuration interaction (VCI) method for the calculation of vibrational anharmonic frequencies. By combining this with fast-VSCF, an efficient direct evaluation of the ab initio potential-energy surface (PES), we introduce a general formalism for the computation of vibrational bound states of molecular systems exhibiting large-amplitude motion such as methyl-group torsion. We validate our approach on an analytical two-dimensional model and apply it to the methanol molecule. We show that curvilinear coordinates lead to a significant improvement in the VSCF/VCI description of the torsional frequency in methanol, even for a simple two-mode coupling expansion of the PES. Moreover, we demonstrate that a curvilinear formulation of the fast-VSCF/VCI scheme improves its speed by a factor of two and its accuracy by a factor of 3.
Yong, Daeseong; Kim, Jaeup U.
2017-12-01
For the purpose of checking material conservation of various numerical algorithms used in the self-consistent-field theory (SCFT) of polymeric systems, we develop an algebraic method using matrix and bra-ket notation, which traces the Hermiticity of the product of the volume and evolution matrices. Algebraic tests for material conservation reveal that the popular pseudospectral method in the Cartesian grid conserves material perfectly, while the finite-volume method (FVM) is the proper tool when real-space SCFT with the Crank-Nicolson method is adopted in orthogonal coordinate systems. We also find that alternating direction implicit methods combined with the FVM exhibit small mass errors in the SCFT calculation. By introducing fractional cells in the FVM formulation, accurate SCFT calculations are performed for systems with irregular geometries and the results are consistent with previous experimental and theoretical works.
Self-Consistent Multiscale Theory of Internal Wave, Mean-Flow Interactions
Energy Technology Data Exchange (ETDEWEB)
Holm, D.D.; Aceves, A.; Allen, J.S.; Alber, M.; Camassa, R.; Cendra, H.; Chen, S.; Duan, J.; Fabijonas, B.; Foias, C.; Fringer, O.; Gent, P.R.; Jordan, R.; Kouranbaeva, S.; Kovacic, G.; Levermore, C.D.; Lythe, G.; Lifschitz, A.; Marsden, J.E.; Margolin, L.; Newberger, P.; Olson, E.; Ratiu, T.; Shkoller, S.; Timofeyev, I.; Titi, E.S.; Wynn, S.
1999-06-03
This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The research reported here produced new effective ways to solve multiscale problems in nonlinear fluid dynamics, such as turbulent flow and global ocean circulation. This was accomplished by first developing new methods for averaging over random or rapidly varying phases in nonlinear systems at multiple scales. We then used these methods to derive new equations for analyzing the mean behavior of fluctuation processes coupled self consistently to nonlinear fluid dynamics. This project extends a technology base relevant to a variety of multiscale problems in fluid dynamics of interest to the Laboratory and applies this technology to those problems. The project's theoretical and mathematical developments also help advance our understanding of the scientific principles underlying the control of complex behavior in fluid dynamical systems with strong spatial and temporal internal variability.
Non local thermodynamic equilibrium self-consistent average atom model for plasma physics
International Nuclear Information System (INIS)
Faussurier, G.; Blancard, Ch.; Berthier, E.
2000-01-01
A time-dependent collisional-radiative average-atom model is presented to study statistical properties of highly-charged ion plasmas in off-equilibrium conditions. Atomic structure is described either with a screened-hydrogenic model including l-splitting, or by calculating one electron states in a self-consistent average-atom potential. Collisional and radiative excitation/deexcitation and ionization/recombination rats, as well as auto-ionization and dielectronic recombination rates, are formulated within the average-configuration framework. A good agreement with experiment is found for the charge-state distribution of a gold plasma at electron and density temperature equal to 6 x 10 20 cm -3 and 2200 eV. (author)
Self-consistent relativistic Boltzmann-Uehling-Uhlenbeck equation for the Δ distribution function
International Nuclear Information System (INIS)
Mao, G.; Li, Z.; Zhuo, Y.
1996-01-01
We derive the self-consistent relativistic Boltzmann-Uehling-Uhlenbeck (RBUU) equation for the delta distribution function within the framework which we have done for nucleon close-quote s. In our approach, the Δ isobars are treated in essentially the same way as nucleons. Both mean field and collision terms of Δ close-quote s RBUU equation are derived from the same effective Lagrangian and presented analytically. We calculate the in-medium NΔ elastic and inelastic scattering cross sections up to twice nuclear matter density and the results show that the in-medium cross sections deviate substantially from Cugnon close-quote s parametrization that is commonly used in the transport model. copyright 1996 The American Physical Society
Dynamical self-consistent description of exotic structures in nuclear matter at subnuclear densities
de la Mota, Virginia; Figerou, Sébastien
2010-01-01
We investigate the occurrence of exotic structures in nuclear matter at subnuclear densities within the framework of the dywan model. This approach, developed ab initio for the description of nuclear collisions, is a microscopic dynamical approach in which the numerical treatment makes use of wavelet representation techniques. Before tackling the effects of multi-particle correlations on the overall dynamics, we focused the present work on the study of cold matter within a pure mean field description. Starting from inhomogeneous initial conditions provided by an arrangement of nuclei located on an initial crystalline lattice, the exotic structures result from the dynamical self-consistent evolution. The nuclear system can freely self-organize, it can modify or even break the lattice structure and the initial symmetries of matter distribution. This approach goes beyond the Wigner-Seitz approximation and no assumption of final shapes of matter is made. In this framework, different effects, as the sensitivity of...
A self-consistent model for polycrystal deformation. Description and implementation
Energy Technology Data Exchange (ETDEWEB)
Clausen, B.; Lorentzen, T.
1997-04-01
This report is a manual for the ANSI C implementation of an incremental elastic-plastic rate-insensitive self-consistent polycrystal deformation model based on (Hutchinson 1970). The model is furthermore described in the Ph.D. thesis by Clausen (Clausen 1997). The structure of the main program, sc{sub m}odel.c, and its subroutines are described with flow-charts. Likewise the pre-processor, sc{sub i}ni.c, is described with a flowchart. Default values of all the input parameters are given in the pre-processor, but the user is able to select from other pre-defined values or enter new values. A sample calculation is made and the results are presented as plots and examples of the output files are shown. (au) 4 tabs., 28 ills., 17 refs.
Self-consistent RPA and the time-dependent density matrix approach
Energy Technology Data Exchange (ETDEWEB)
Schuck, P. [Institut de Physique Nucleaire, Orsay (France); CNRS et Universite Joseph Fourier, Laboratoire de Physique et Modelisation des Milieux Condenses, Grenoble (France); Tohyama, M. [Kyorin University School of Medicine, Mitaka, Tokyo (Japan)
2016-10-15
The time-dependent density matrix (TDDM) or BBGKY (Bogoliubov, Born, Green, Kirkwood, Yvon) approach is decoupled and closed at the three-body level in finding a natural representation of the latter in terms of a quadratic form of two-body correlation functions. In the small amplitude limit an extended RPA coupled to an also extended second RPA is obtained. Since including two-body correlations means that the ground state cannot be a Hartree-Fock state, naturally the corresponding RPA is upgraded to Self-Consistent RPA (SCRPA) which was introduced independently earlier and which is built on a correlated ground state. SCRPA conserves all the properties of standard RPA. Applications to the exactly solvable Lipkin and the 1D Hubbard models show good performances of SCRPA and TDDM. (orig.)
Self-consistent Hartree-Fock RPA calculations in 208Pb
Taqi, Ali H.; Ali, Mohammed S.
2018-01-01
The nuclear structure of 208Pb is studied in the framework of the self-consistent random phase approximation (SCRPA). The Hartree-Fock mean field and single particle states are used to implement a completely SCRPA with Skyrme-type interactions. The Hamiltonian is diagonalised within a model space using five Skyrme parameter sets, namely LNS, SkI3, SkO, SkP and SLy4. In view of the huge number of the existing Skyrme-force parameterizations, the question remains which of them provide the best description of data. The approach attempts to accurately describe the structure of the spherical even-even nucleus 208Pb. To illustrate our approach, we compared the binding energy, charge density distribution, excitation energy levels scheme with the available experimental data. Moreover, we calculated isoscalar and isovector monopole, dipole, and quadrupole transition densities and strength functions.
Dipole response in neutron-rich nuclei within self-consistent approaches using realistic potentials
Directory of Open Access Journals (Sweden)
Lo Iudice N.
2015-01-01
Full Text Available A nucleon-nucleon chiral potential with a corrective density dependent term simulating a three-body force is used in a self-consistent calculation of the dipole strength distribution in neutron-rich nuclei, with special attention to the low-lying spectra associated to the pygmy resonance. A Hartree-Fock-Bogoliubov basis is generated and adopted in Tamm-Dancoff and random-phase approximations and, then, in an equation of motion approach which includes a basis of two-phonon states. The direct use of the mentioned chiral potential improves the description of both giant and pygmy dipole modes with respect to other realistic interactions. Moreover, the inclusion of the two-phonon states induces a pronounced fragmentation of the giant resonance and enhances the density of the low-lying levels in the pygmy region in agreement with recent experiments.
Optimization of nanowire DNA sensor sensitivity using self-consistent simulation
Baumgartner, S
2011-09-26
In order to facilitate the rational design and the characterization of nanowire field-effect sensors, we have developed a model based on self-consistent charge-transport equations combined with interface conditions for the description of the biofunctionalized surface layer at the semiconductor/electrolyte interface. Crucial processes at the interface, such as the screening of the partial charges of the DNA strands and the influence of the angle of the DNA strands with respect to the nanowire, are computed by a Metropolis Monte Carlo algorithm for charged molecules at interfaces. In order to investigate the sensing mechanism of the device, we have computed the current-voltage characteristics, the electrostatic potential and the concentrations of electrons and holes. Very good agreement with measurements has been found and optimal device parameters have been identified. Our approach provides the capability to study the device sensitivity, which is of fundamental importance for reliable sensing. © IOP Publishing Ltd.
Kandel, Yudhishthir; Denbeaux, Gregory
2016-08-01
We develop a novel iterative method to accurately measure electron beam shape (current density distribution) and monotonic material response as a function of position. A common method is to scan an electron beam across a knife edge along many angles to give an approximate measure of the beam profile, however such scans are not easy to obtain in all systems. The present work uses only an electron beam and multiple exposed regions of a thin film of photoresist to measure the complete beam profile for any beam shape, where the material response is characterized externally. This simplifies the setup of new experimental tools. We solve for self-consistent photoresist thickness loss response to dose and the electron beam profile simultaneously by optimizing a novel functional iteratively. We also show the successful implementation of the method in a real world data set corrupted by noise and other experimental variabilities.
SELF-CONSISTENT LANGEVIN SIMULATION OF COULOMB COLLISIONS IN CHARGED-PARTICLE BEAMS
International Nuclear Information System (INIS)
QIANG, J.; RYNE, R.; HABIB, S.
2000-01-01
In many plasma physics and charged-particle beam dynamics problems, Coulomb collisions are modeled by a Fokker-Planck equation. In order to incorporate these collisions, we present a three-dimensional parallel Langevin simulation method using a Particle-In-Cell (PIC) approach implemented on high-performance parallel computers. We perform, for the first time, a fully self-consistent simulation, in which the FR-iction and diffusion coefficients are computed FR-om first principles. We employ a two-dimensional domain decomposition approach within a message passing programming paradigm along with dynamic load balancing. Object oriented programming is used to encapsulate details of the communication syntax as well as to enhance reusability and extensibility. Performance tests on the SGI Origin 2000 and the Cray T3E-900 have demonstrated good scalability. Work is in progress to apply our technique to intrabeam scattering in accelerators
Self-Consistent Electron-Cloud Simulation for Long Proton Bunches
Shishlo, Andrei P; Danilov, Viatcheslav V; Henderson, Stuart; Holmes, Jeffrey Alan; Lee, Shyh-Yuan; Macek, Robert J; Sato, Yoichi
2005-01-01
The results of numerical electron-cloud simulations for long-bunch proton beams in accumulator rings are presented and compared with data from the Proton Storage Ring at LANL. The frequency spectra and growth rate of proton-bunch transverse instabilities are studied as functions of the RF cavity voltage, external magnetic fields, beam pipe surface properties, and other factors. We used the recently developed electron-cloud module in the ORBIT code. The model includes a fully self-consistent coupled treatment of the "proton bunch - electron-cloud" dynamics and the multipacting process with a realistic secondary emission surface model. Realistic lattices and proton bunch distributions are used. The efficiency of electron-cloud instability suppression has also been studied using a new ORBIT model.
Similarities between Prescott Lecky's theory of self-consistency and Carl Rogers' self-theory.
Merenda, Peter F
2010-10-01
The teachings of Prescott Lecky on the self-concept at Columbia University in the 1920s and 1930s and the posthumous publications of his book on self-consistency beginning in 1945 are compared with the many publications of Carl Rogers on the self-concept beginning in the early 1940s. Given that Rogers was a graduate student at Columbia in the 1920s and 1930s, the striking similarities between these two theorists, as well as claims attributed to Rogers by Rogers' biographers and writers who have quoted Rogers on his works relating to self-theory, strongly suggest that Rogers borrowed from Lecky without giving him the proper credit. Much of Rogers' writings on the self-concept included not only terms and concepts which were original with Lecky, but at times these were actually identical.
Self-consistent Cooper-Frye freeze-out of a viscous fluid to particles
Wolff, Zack; Molnar, Denes
2014-09-01
Comparing hydrodynamic simulations to heavy-ion data inevitably requires the conversion of the fluid to particles. This conversion, typically done in the Cooper-Frye formalism, is ambiguous for viscous fluids. We compute self-consistent phase space corrections by solving the linearized Boltzmann equation and contrast the solutions to those obtained using the ad-hoc "democratic Grad" ansatz typically employed in the literature where coefficients are independent of particle dynamics. Solutions are calculated analytically for a massless gas and numerically for both a pion-nucleon gas and for the general case of a hadron resonance gas. We find that the momentum dependence of the corrections in all systems investigated is best fit by a power close to 3/2 rather than the typically used quadratic ansatz. The effects on harmonic flow coefficients v2 and v4 are substantial, and should be taken into account when extracting medium properties from experimental data.
Energy Technology Data Exchange (ETDEWEB)
Tretiak, Sergei [Los Alamos National Laboratory
2008-01-01
Four different numerical algorithms suitable for a linear scaling implementation of time-dependent Hartree-Fock and Kohn-Sham self-consistent field theories are examined. We compare the performance of modified Lanczos, Arooldi, Davidson, and Rayleigh quotient iterative procedures to solve the random-phase approximation (RPA) (non-Hermitian) and Tamm-Dancoff approximation (TDA) (Hermitian) eigenvalue equations in the molecular orbital-free framework. Semiempirical Hamiltonian models are used to numerically benchmark algorithms for the computation of excited states of realistic molecular systems (conjugated polymers and carbon nanotubes). Convergence behavior and stability are tested with respect to a numerical noise imposed to simulate linear scaling conditions. The results single out the most suitable procedures for linear scaling large-scale time-dependent perturbation theory calculations of electronic excitations.
International Nuclear Information System (INIS)
Malykhanov, Yu.B.; Bochkova, R.V.
1986-01-01
The LCAO approximation has been used in deriving the equations in the multiconfiguration self-consistent field method, in which the function is taken as the superposition of the ground configuration and a singly excited singlet one (the MCSCF CI method). In the energy functional, one can vary not only the configurational factors and the molecular orbitals (LCAO coefficients) but also parameters governing the basis functions in a nonlinear fashion. The formulation in density-matrix terms enables one to overlook the individual configurational factors and LCAO coefficients and to operate with entire matrices constructed from them. There is a discussion of possible ways of solving the equations iteratively and of the area of application
A self-consistent TB-LMTO-augmented space recursion method for disordered binary alloys
Chakrabarti, A.; Mookerjee, A.
2005-03-01
We developed a complete self-consistent TB-LMTO-Augmented space recursion (ASR) method for calculating configurational average properties of substitutionally disordered binary alloys. We applied our method to fcc based Cu-Ni, Ag-Pd for different concentrations of constituent elements and body-centered cubic based ferromagnetic Fe-V (50-50) alloy. For this systems we investigated the convergence of total energy and l-dependent potential parameters, charges, magnetic moment, energy moments of density of states with the number of iterations. Our results show good agreement with the existing calculations and also with the experimental results where it is available. The Madelung energy correction due to the charge transfer has also been included by the method developed by Ruban et al.
International Nuclear Information System (INIS)
Baczmanski, A.; Braham, C.
2004-01-01
A new method for determining the parameters characterising elastoplastic deformation of two-phase material is proposed. The method is based on the results of neutron diffraction and mechanical experiments, which are analysed using the self-consistent rate-independent model of elastoplastic deformation. The neutron diffraction method has been applied to determine the lattice strains and diffraction peak broadening in two-phase austeno-ferritic steel during uniaxial tensile test. The elastoplastic model was used to predict evolution of internal stresses and critical resolved shear stresses. Calculations based on this model were successfully compared with experimental results and the parameters characterising elastoplastic deformation were determined for both phases of duplex steel
Baczmański, A.; Gaj, A.; Le Joncour, L.; Wroński, S.; François, M.; Panicaud, B.; Braham, C.; Paradowska, A. M.
2012-08-01
The time-of-flight neutron diffraction technique and the elastoplastic self-consistent model were used to study the behaviour of single and multi-phase materials. Critical resolved shear stresses and hardening parameters in austenitic and austenitic-ferritic steels were found by analysing the evolution of the lattice strains measured during tensile tests. Special attention was paid to the changes of the grain stresses occurring due to transition from elastic to plastic deformation. Using a new method of data analysis, the variation of the stress localisation tensor as a function of macrostress was measured. The experimental results were successfully compared with model predictions for both phases of the duplex steel and also for the austenitic sample.
Self-consistent depth profiling and imaging of GaN-based transistors using ion microbeams
Energy Technology Data Exchange (ETDEWEB)
Redondo-Cubero, A., E-mail: andres.redondo@uam.es [IPFN, Instituto Superior Técnico, Campus Tecnológico e Nuclear, Universidade de Lisboa, 2686-953 Bobadela (Portugal); Departamento de Física Aplicada y Centro de Micro-Análisis de Materiales, Universidad Autónoma de Madrid, 28049 Madrid (Spain); Corregidor, V. [IPFN, Instituto Superior Técnico, Campus Tecnológico e Nuclear, Universidade de Lisboa, 2686-953 Bobadela (Portugal); Vázquez, L. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, 28049 Madrid (Spain); Alves, L.C. [C2TN, Instituto Superior Técnico, Campus Tecnológico e Nuclear, Universidade de Lisboa, 2686-953 Bobadela (Portugal)
2015-04-01
Using an ion microprobe, a comprehensive lateral and in-depth characterization of a single GaN-based high electron mobility transistor is carried out by means of Rutherford backscattering spectrometry (RBS) in combination with particle induced X-ray emission (PIXE). Elemental distribution was obtained for every individual section of the device (wafer, gate and source contact), identifying the basic constituents of the transistor (including the detection of the passivant layer) and checking its homogeneity. A self-consistent analysis of each individual regions of the transistor was carried out with a simultaneous fit of RBS and PIXE spectra with two different beam conditions. Following this approach, the quantification of the atomic content and the layer thicknesses was successfully achieved overcoming the mass-depth ambiguity of certain elements.
Self-consistence equations for extended Feynman rules in quantum chromodynamics
International Nuclear Information System (INIS)
Wielenberg, A.
2005-01-01
In this thesis improved solutions for Green's functions are obtained. First the for this thesis essential techniques and concepts of QCD as euclidean field theory are presented. After a discussion of the foundations of the extended approach for the Feynman rules of QCD with a systematic approach for the 4-gluon vertex a modified renormalization scheme for the extended approach is developed. Thereafter the resummation of the Dyson-Schwinger equations (DSE) by the appropriately modified Bethe-Salpeter equation is discussed. Then the leading divergences for the 1-loop graphs of the resummed DSE are determined. Thereafter the equation-of-motion condensate is defined as result of an operator-product expansion. Then the self-consistency equations for the extended approaches are defined and numerically solved. (HSI)
Comparison of self-consistent calculations of the static polarizability of atoms and molecules
International Nuclear Information System (INIS)
Moullet, I.; Martins, J.L.
1990-01-01
The static dipole polarizabilities and other ground-state properties of H, H 2 , He, Na, and Na 2 are calculated using five different self-consistent schemes: Hartree--Fock, local spin density approximation, Hartree--Fock plus local density correlation, self-interaction-corrected local spin density approximation, and Hartree--Fock plus self-interaction-corrected local density correlation. The inclusion of the self-interaction corrected local spin density approximation in the Hartree--Fock method improves dramatically the calculated dissociation energies of molecules but has a small effect on the calculated polarizabilities. Correcting the local spin density calculations for self-interaction effects improves the calculated polarizability in the cases where the local spin density results are mediocre, and has only a small effect in the cases where the local spin density values are in reasonable agreement with experiment
Self-consistent density functional calculation of the image potential at a metal surface
Energy Technology Data Exchange (ETDEWEB)
Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)
2007-07-04
It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.
Self-consistent langevin simulation of coulomb collisions in charged-particle beams
Qiang, J; Ryne, Robert D
2000-01-01
In many plasma physics and charged-particle beam dynamics problems, Coulomb collisions are modeled by a Fokker-Planck equation. In order to incorporate these collisions, we present a three-dimensional parallel Langevin simulation method using a Particle-In-Cell (PIC) approach implemented on high-performance parallel computers. We perform, for the first time, a fully self-consistent simulation, in which the FR-iction and diffusion coefficients are computed FR-om first principles. We employ a two-dimensional domain decomposition approach within a message passing programming paradigm along with dynamic load balancing. Object oriented programming is used to encapsulate details of the communication syntax as well as to enhance reusability and extensibility. Performance tests on the SGI Origin 2000 and the Cray T3E-900 have demonstrated good scalability. Work is in progress to apply our technique to intrabeam scattering in accelerators.
Self-consistent density functional calculation of the image potential at a metal surface
International Nuclear Information System (INIS)
Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P
2007-01-01
It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description
Self-consistent field theory of block copolymers on a general curved surface.
Li, Jianfeng; Zhang, Hongdong; Qiu, Feng
2014-03-01
In this work, we propose a theoretical framework based on the self-consistent field theory (SCFT) for the study of self-assembling block copolymers on a general curved surface. Relevant numerical algorithms are also developed. To demonstrate the power of the approach, we calculate the self-assembled patterns of diblock copolymers on three distinct curved surfaces with different genus. We specially study the geometrical effects of curved surfaces on the conformation of polymer chains as well as on the pattern formation of block copolymers. By carefully examining the diffusion equation of the propagator on curved surfaces, it is predicted that Gaussian chains are completely unaware of the extrinsic curvature but that they will respond to the intrinsic curvature of the surface. This theoretical assertion is consistent with our SCFT simulations of block copolymers on general curved surfaces.
Wetting of polymer liquids: Monte Carlo simulations and self-consistent field calculations
Müller, M
2003-01-01
Using Monte Carlo simulations and self-consistent field (SCF) theory we study the surface and interface properties of a coarse grained off-lattice model. In the simulations we employ the grand canonical ensemble together with a reweighting scheme in order to measure surface and interface free energies and discuss various methods for accurately locating the wetting transition. In the SCF theory, we use a partial enumeration scheme to incorporate single-chain properties on all length scales and use a weighted density functional for the excess free energy. The results of various forms of the density functional are compared quantitatively to the simulation results. For the theory to be accurate, it is important to decompose the free energy functional into a repulsive and an attractive part, with different approximations for the two parts. Measuring the effective interface potential for our coarse grained model we explore routes for controlling the equilibrium wetting properties. (i) Coating of the substrate by an...
Self-consistent analysis of collisional loss in a spatially varying magnetic mirror
International Nuclear Information System (INIS)
Sato, Kunihiro.
1982-05-01
Expressions for the particle and energy loss fluxes of a plasma in a realistic mirror configuration are obtained using self-consistent analytic solutions of a linearized Fokker-Planck equation for ions and electrons. A magnetic field variation along field lines is taken into account, and both interactions between ions and electrons and effects of the ambipolar potential are included in the analysis. The present results show that a value of n-bar tau sub(n) (n-bar: volume-averaged particle density, tau sub(n): particle confinement time) decreases due to effects of the magnetic-field variation by a factor of two as compared with the value for the magnetic square-well and the total energy confinement time is almost equal to the particle confinement time. (author)
Concept of grouping in partitioning of HLW for self-consistent fuel cycle
International Nuclear Information System (INIS)
Kitamoto, A.; Mulyanto
1993-01-01
A concept of grouping for partitioning of HLW has been developed in order to examine the possibility of a self-consistent fuel recycle. The concept of grouping of radionuclides is proposed herein, such as Group MA1 (MA below Cm), Group MA2 (Cm and higher MA), Group A ( 99 Tc and I), Group B (Cs and Sr) and Group R (the partitioned remain of HLW). Group B is difficult to be transmuted by neutron reaction, so a radiation application in an industrial scale should be developed in the future. Group A and Group MA1 can be burned by a thermal reactor, on the other hand Group MA2 should be burned by a fast reactor. P-T treatment can be optimized for the in-core and out-core system, respectively
Self-consistent study of space-charge-dominated beams in a misaligned transport system
International Nuclear Information System (INIS)
Sing Babu, P.; Goswami, A.; Pandit, V.S.
2013-01-01
A self-consistent particle-in-cell (PIC) simulation method is developed to investigate the dynamics of space-charge-dominated beams through a misaligned solenoid based transport system. Evolution of beam centroid, beam envelope and emittance is studied as a function of misalignment parameters for various types of beam distributions. Simulation results performed up to 40 mA of proton beam indicate that centroid oscillations induced by the displacement and rotational misalignments of solenoids do not depend of the beam distribution. It is shown that the beam envelope around the centroid is independent of the centroid motion for small centroid oscillation. In addition, we have estimated the loss of beam during the transport caused by the misalignment for various beam distributions
Self-Consistent Generation of Primordial Continental Crust in Global Mantle Convection Models
Jain, C.; Rozel, A.; Tackley, P. J.
2017-12-01
We present the generation of primordial continental crust (TTG rocks) using self-consistent and evolutionary thermochemical mantle convection models (Tackley, PEPI 2008). Numerical modelling commonly shows that mantle convection and continents have strong feedbacks on each other. However in most studies, continents are inserted a priori while basaltic (oceanic) crust is generated self-consistently in some models (Lourenco et al., EPSL 2016). Formation of primordial continental crust happened by fractional melting and crystallisation in episodes of relatively rapid growth from late Archean to late Proterozoic eras (3-1 Ga) (Hawkesworth & Kemp, Nature 2006) and it has also been linked to the onset of plate tectonics around 3 Ga. It takes several stages of differentiation to generate Tonalite-Trondhjemite-Granodiorite (TTG) rocks or proto-continents. First, the basaltic magma is extracted from the pyrolitic mantle which is both erupted at the surface and intruded at the base of the crust. Second, it goes through eclogitic transformation and then partially melts to form TTGs (Rudnick, Nature 1995; Herzberg & Rudnick, Lithos 2012). TTGs account for the majority of the Archean continental crust. Based on the melting conditions proposed by Moyen (Lithos 2011), the feasibility of generating TTG rocks in numerical simulations has already been demonstrated by Rozel et al. (Nature, 2017). Here, we have developed the code further by parameterising TTG formation. We vary the ratio of intrusive (plutonic) and extrusive (volcanic) magmatism (Crisp, Volcanol. Geotherm. 1984) to study the relative volumes of three petrological TTG compositions as reported from field data (Moyen, Lithos 2011). Furthermore, we systematically vary parameters such as friction coefficient, initial core temperature and composition-dependent viscosity to investigate the global tectonic regime of early Earth. Continental crust can also be destroyed by subduction or delamination. We will investigate
Self-consistent Maxwell-Bloch theory of quantum-dot-population switching in photonic crystals
International Nuclear Information System (INIS)
Takeda, Hiroyuki; John, Sajeev
2011-01-01
We theoretically demonstrate the population switching of quantum dots (QD's), modeled as two-level atoms in idealized one-dimensional (1D) and two-dimensional (2D) photonic crystals (PC's) by self-consistent solution of the Maxwell-Bloch equations. In our semiclassical theory, energy states of the electron are quantized, and electron dynamics is described by the atomic Bloch equation, while electromagnetic waves satisfy the classical Maxwell equations. Near a waveguide cutoff in a photonic band gap, the local electromagnetic density of states (LDOS) and spontaneous emission rates exhibit abrupt changes with frequency, enabling large QD population inversion driven by both continuous and pulsed optical fields. We recapture and generalize this ultrafast population switching using the Maxwell-Bloch equations. Radiative emission from the QD is obtained directly from the surrounding PC geometry using finite-difference time-domain simulation of the electromagnetic field. The atomic Bloch equations provide a source term for the electromagnetic field. The total electromagnetic field, consisting of the external input and radiated field, drives the polarization components of the atomic Bloch vector. We also include a microscopic model for phonon dephasing of the atomic polarization and nonradiative decay caused by damped phonons. Our self-consistent theory captures stimulated emission and coherent feedback effects of the atomic Mollow sidebands, neglected in earlier treatments. This leads to remarkable high-contrast QD-population switching with relatively modest (factor of 10) jump discontinuities in the electromagnetic LDOS. Switching is demonstrated in three separate models of QD's placed (i) in the vicinity of a band edge of a 1D PC, (ii) near a cutoff frequency in a bimodal waveguide channel of a 2D PC, and (iii) in the vicinity of a localized defect mode side coupled to a single-mode waveguide channel in a 2D PC.
Self-consistent imbedding and the ellipsoidal model model for porous rocks
International Nuclear Information System (INIS)
Korringa, J.; Brown, R.J.S.; Thompson, D.D.; Runge, R.J.
1979-01-01
Equations are obtained for the effective elastic moduli for a model of an isotropic, heterogeneous, porous medium. The mathematical model used for computation is abstract in that it is not simply a rigorous computation for a composite medium of some idealized geometry, although the computation contains individual steps which are just that. Both the solid part and pore space are represented by ellipsoidal or spherical 'grains' or 'pores' of various sizes and shapes. The strain of each grain, caused by external forces applied to the medium, is calculated in a self-consistent imbedding (SCI) approximation, which replaces the true surrounding of any given grain or pore by an isotropic medium defined by the effective moduli to be computed. The ellipsoidal nature of the shapes allows us to use Eshelby's theoretical treatment of a single ellipsoidal inclusion in an infiinte homogeneous medium. Results are compared with the literature, and discrepancies are found with all published accounts of this problem. Deviations from the work of Wu, of Walsh, and of O'Connell and Budiansky are attributed to a substitution made by these authors which though an identity for the exact quantities involved, is only approximate in the SCI calculation. This reduces the validity of the equations to first-order effects only. Differences with the results of Kuster and Toksoez are attributed to the fact that the computation of these authors is not self-consistent in the sense used here. A result seems to be the stiffening of the medium as if the pores are held apart. For spherical grains and pores, their calculated moduli are those given by the Hashin-Shtrikman upper bounds. Our calculation reproduces, in the case of spheres, an early result of Budiansky. An additional feature of our work is that the algebra is simpler than in earlier work. We also incorporate into the theory the possibility that fluid-filled pores are interconnected
Self-consistent treatment of electrostatics in molecular DNA braiding through external forces.
Lee, Dominic J
2014-06-01
In this paper we consider a physical system in which two DNA molecules braid about each other. The distance between the two molecular ends, on either side of the braid, is held at a distance much larger than supercoiling radius of the braid. The system is subjected to an external pulling force, and a moment that induces the braiding. In a model, developed for understanding such a system, we assume that each molecule can be divided into a braided and unbraided section. We also suppose that the DNA is nicked so that there is no constraint of the individual linking numbers of the molecules. Included in the model are steric and electrostatic interactions, thermal fluctuations of the braided and unbraided sections of the molecule, as well as the constraint on the braid linking (catenation) number. We compare two approximations used in estimating the free energy of the braided section. One is where the amplitude of undulations of one molecule with respect to the other is determined only by steric interactions. The other is a self-consistent determination of the mean-squared amplitude of these undulations. In this second approximation electrostatics should play an important role in determining this quantity, as suggested by physical arguments. We see that if the electrostatic interaction is sufficiently large there are indeed notable differences between the two approximations. We go on to test the self-consistent approximation-included in the full model-against experimental data for such a system, and we find good agreement. However, there seems to be a slight left-right-handed braid asymmetry in some of the experimental results. We discuss what might be the origin of this small asymmetry.
Coronal rain in magnetic bipolar weak fields
Xia, C.; Keppens, R.; Fang, X.
2017-07-01
Aims: We intend to investigate the underlying physics for the coronal rain phenomenon in a representative bipolar magnetic field, including the formation and the dynamics of coronal rain blobs. Methods: With the MPI-AMRVAC code, we performed three dimensional radiative magnetohydrodynamic (MHD) simulation with strong heating localized on footpoints of magnetic loops after a relaxation to quiet solar atmosphere. Results: Progressive cooling and in-situ condensation starts at the loop top due to radiative thermal instability. The first large-scale condensation on the loop top suffers Rayleigh-Taylor instability and becomes fragmented into smaller blobs. The blobs fall vertically dragging magnetic loops until they reach low-β regions and start to fall along the loops from loop top to loop footpoints. A statistic study of the coronal rain blobs finds that small blobs with masses of less than 1010 g dominate the population. When blobs fall to lower regions along the magnetic loops, they are stretched and develop a non-uniform velocity pattern with an anti-parallel shearing pattern seen to develop along the central axis of the blobs. Synthetic images of simulated coronal rain with Solar Dynamics Observatory Atmospheric Imaging Assembly well resemble real observations presenting dark falling clumps in hot channels and bright rain blobs in a cool channel. We also find density inhomogeneities during a coronal rain "shower", which reflects the observed multi-stranded nature of coronal rain. Movies associated to Figs. 3 and 7 are available at http://www.aanda.org
Optimizing Global Coronal Magnetic Field Models Using Image-Based Constraints
Jones-Mecholsky, Shaela I.; Davila, Joseph M.; Uritskiy, Vadim
2016-01-01
The coronal magnetic field directly or indirectly affects a majority of the phenomena studied in the heliosphere. It provides energy for coronal heating, controls the release of coronal mass ejections, and drives heliospheric and magnetospheric activity, yet the coronal magnetic field itself has proven difficult to measure. This difficulty has prompted a decades-long effort to develop accurate, timely, models of the field, an effort that continues today. We have developed a method for improving global coronal magnetic field models by incorporating the type of morphological constraints that could be derived from coronal images. Here we report promising initial tests of this approach on two theoretical problems, and discuss opportunities for application.
Gamayunov, K. V.; Khazanov, G. V.; Liemohn, M. W.; Fok, M.-C.; Ridley, A. J.
2009-01-01
Further development of our self-consistent model of interacting ring current (RC) ions and electromagnetic ion cyclotron (EMIC) waves is presented. This model incorporates large scale magnetosphere-ionosphere coupling and treats self-consistently not only EMIC waves and RC ions, but also the magnetospheric electric field, RC, and plasmasphere. Initial simulations indicate that the region beyond geostationary orbit should be included in the simulation of the magnetosphere-ionosphere coupling. Additionally, a self-consistent description, based on first principles, of the ionospheric conductance is required. These initial simulations further show that in order to model the EMIC wave distribution and wave spectral properties accurately, the plasmasphere should also be simulated self-consistently, since its fine structure requires as much care as that of the RC. Finally, an effect of the finite time needed to reestablish a new potential pattern throughout the ionosphere and to communicate between the ionosphere and the equatorial magnetosphere cannot be ignored.
A self-consistent nonlinear theory of resistive-wall instability in a relativistic electron beam
International Nuclear Information System (INIS)
Uhm, H.S.
1994-01-01
A self-consistent nonlinear theory of resistive-wall instability is developed for a relativistic electron beam propagating through a grounded cylindrical resistive tube. The theory is based on the assumption that the frequency of the resistive-wall instability is lower than the cutoff frequency of the waveguide. The theory is concentrated on study of the beam current modulation directly related to the resistive-wall klystron, in which a relativistic electron beam is modulated at the first cavity and propagates downstream through the resistive wall. Because of the self-excitation of the space charge waves by the resistive-wall instability, a highly nonlinear current modulation of the electron beam is accomplished as the beam propagates downstream. A partial integrodifferential equation is obtained in terms of the initial energy modulation (ε), the self-field effects (h), and the resistive-wall effects (κ). Analytically investigating the partial integrodifferential equation, a scaling law of the propagation distance z m at which the maximum current modulation occurs is obtained. It is found in general that the self-field effects dominate over the resistive-wall effects at the beginning of the propagation. As the beam propagates farther downstream, the resistive-wall effects dominate. Because of a relatively large growth rate of the instability, the required tube length of the klystron is short for most applications
International Nuclear Information System (INIS)
Lee, Ho-Jun; Kim, Yun-Gi
2012-01-01
The characteristics of weakly magnetized inductively coupled plasma (MICP) are investigated using a self-consistent simulation based on the drift–diffusion approximation with anisotropic transport coefficients. MICP is a plasma source utilizing the cavity mode of the low-frequency branch of the right-hand circularly polarized wave. The model system is 700 mm in diameter and has a 250 mm gap between the radio-frequency window and wafer holder. The model chamber size is chosen to verify the applicability of this type of plasma source to the 450 mm wafer process. The effects of electron density distribution and external axial magnetic field on the propagation properties of the plasma wave, including the wavelength modulation and refraction toward the high-density region, are demonstrated. The restricted electron transport and thermal conductivity in the radial direction due to the magnetic field result in small temperature gradient along the field lines and off-axis peak density profile. The calculated impedance seen from the antenna terminal shows that MICP has a resistance component that is two to threefold higher than that of ICP. This property is practically important for large-size, low-pressure plasma sources because high resistance corresponds to high power-transfer efficiency and stable impedance matching characteristics. For the 0.665 Pa argon plasma, MICP shows a radial density uniformity of 6% within 450 mm diameter, which is much better than that of nonmagnetized ICP.
Self-consistent simulation of the CSR effect on beam emittance
International Nuclear Information System (INIS)
Li, R.
1999-01-01
When a microbunch with high charge traverses a curved trajectory, the curvature-induced Coherent Synchrotron Radiation (CSR) and space-charge forces may cause serious emittance degradation. Earlier analyses based on rigid-line charge model are helpful in understanding the mechanism of this curvature-induced bunch self-interaction. In reality, however, the bunch has finite transverse size and its dynamics respond to the CSR force. In this paper, we present the first self-consistent simulation for the study of the impact of CSR on beam optics. With the bunch represented by a set of macroparticles, the dynamics of the bunch under the influence of the CSR force are simulated, where the CSR force in turn depends on the history of bunch charge distribution and current density in accordance to causality. This simulation is bench-marked with previous analytical results for a rigid-line bunch. The algorithm applied in the simulation will be presented, along with the simulation results obtained for bending systems in the Jefferson Lab FEL lattice
Large multiconfiguration self-consistent-field wave functions for the ozone molecule
International Nuclear Information System (INIS)
Laidig, W.D.; Schaefer, H.F. III
1981-01-01
The electronic structure of the ozone molecule is of particular interest in light of Goddard's characterization of the ground state as a biradical. Rigorously optimized multiconfiguration self-consistent-field (MCSCF) wave functions of varying size have been determined here for ozone via newly developed techniques utilizing the unitary group approach. The largest of these ab initio MCSCF wave functions includes 13 413 configurations, i.e., all singly- and doubly excited configurations relative to the two reference configurations required for the biradical description of ozone. The convergence of the MCSCF procedures is discussed, as well as the structure of the MCSCF wave functions, and the effectiveness of different orbital transformations. There is a significant energy difference (0.034 hartrees) between the MCSCF wave functions involving one and two reference configurations. This gives emphasis to the fact that orbital optimization alone cannot compensate for the exclusion from the wave function of important classes of configurations. A simple test for the determination of the fraction biradical character of systems such as ozone suggests 23% biradical character for 0 3 at its equilibrium geometry
From hawks and doves to self-consistent games of territorial behavior.
Kokko, Hanna; Lopez-Sepulcre, Andrés; Morrell, Lesley J
2006-06-01
Explaining the "prior-residence effect" (automatic owner status of individuals who arrived first in an area) was one of the very first applications of game theory in animal behavior. These models, however, predict paradoxical solutions where intruders always win, with no satisfactory explanation for the absence of such cases in nature. We propose a solution based on new developments in evolutionary game theory. A self-consistent model with feedbacks between individual behavior and population dynamics produces qualitatively different frequency-dependent selection on intruders (floaters) than on territory owners. Starting with an ancestral population with no respect for ownership, the most likely evolutionary end point is complete or partial respect. Conventional rules of conflict resolution thus can rely on "uncorrelated asymmetries" without differences in resource-holding power or territory value, although they will be strengthened by such differences. We also review the empirical literature on animal contests, testing whether asymmetries in resource-holding power are required to explain the observations. Despite much empirical effort, results remain inconclusive, because experiments are often unable to distinguish between the motivation of individuals to fight and the behavioral outcome of a contest. To help arrive at conclusive answers, we suggest a standardized empirical approach to quantify prior-residence effects.
The self-consistent effective medium approximation (SEMA): New tricks from an old dog
International Nuclear Information System (INIS)
Bergman, David J.
2007-01-01
The fact that the self-consistent effective medium approximation (SEMA) leads to incorrect values for the percolation threshold, as well as for the critical exponents which characterize that threshold, has led to a decline in using that approximation. In this article I argue that SEMA has the unique capability, which is lacking in other approximation schemes for macroscopic response of composite media, of leading to the discovery or prediction of new critical points. This is due to the fact that SEMA can often lead to explicit equations for the macroscopic response of a composite medium, even when that medium has a rather complicated character. In such cases, the SEMA equations are usually coupled and nonlinear, often even transcendental in character. Thus there is no question of finding exact solutions. Nevertheless, a useful ansatz, leading to a closed form asymptotic solution, can often be made. In this way, singularities in the macroscopic response can be identified from a theoretical or mathematical treatment of the physical problem. This is demonstrated for two problems of magneto-transport in a composite medium, where the SEMA equations are solved using asymptotic analysis, leading to new types of critical points and critical behavior
Multi-component Self-Consistent Nuclear Energy System: On proliferation resistance aspect
International Nuclear Information System (INIS)
Shmelev, A.; Saito, M; Artisyuk, V.
2000-01-01
Self-Consistent Nuclear Energy System (SCNES) that simultaneously meets four requirements: energy production, fuel production, burning of radionuclides and safety is targeted at harmonization of nuclear energy technology with human environment. The main bulk of SCNES studies focus on a potential of fast reactor (FR) in generating neutron excess to keep suitable neutron balance. Proliferation resistance was implicitly anticipated in a fuel cycle with co-processing of Pu, minor actinides (MA) and some relatively short-lived fission products (FP). In a contrast to such a mono-component system, the present paper advertises advantage of incorporating accelerator and fusion driven neutron sources which could drastically improve characteristics of nuclear waste incineration. What important is that they could help in creating advanced Np and Pa containing fuels with double protection against uncontrolled proliferation. The first level of protection deals with possibility to approach long life core (LLC) in fission reactors. Extending the core life-time to reactor-time is beneficial from the proliferation resistance viewpoint since LLC would not necessarily require fuel management at energy producing site, with potential advantage of being moved to vendor site for spent fuel refabrication. Second level is provided by the presence of substantial amounts of 238 Pu and 232 U in these fuels that makes fissile nuclides in them isotopically protected. All this reveals an important advantage of a multi-component SCNES that could draw in developing countries without elaborated technological infrastructure. (author)
Self-Consistent simulations of High-Intensity Beams and E-Clouds with WARP POSINST
International Nuclear Information System (INIS)
Vay, J.-L.; Friendman, A.; Grote, D.P.
2006-01-01
We have developed a new, comprehensive set of simulation tools aimed at modeling the interaction of intense ion beams and electron clouds (e-clouds). The set contains the 3-D accelerator PIC codeWARP and the 2-D ''slice'' ecloud code POSINST, as well as a merger of the two, augmented by new modules for impact ionization and neutral gas generation. The new capability runs on workstations or parallel supercomputers and contains advanced features such as mesh refinement, disparate adaptive time stepping, and a new ''drift-Lorentz'' particle mover for tracking charged particles in magnetic fields using large time steps. It is being applied to the modeling of ion beams (1 MeV, 180 mA, K+) for heavy ion inertial fusion and warm dense matter studies, as they interact with electron clouds in the High-Current Experiment (HCX). In earlier papers, we described the capabilities and presented recent simulation results with detailed comparisons against the HCX experiment, as well as their application (in a different regime) to the modeling of e-clouds in the Large Hadron Collider (LHC). We concentrate here on the description of the implementation of the ''quasi-static'' mode of operation, for comparison with other codes, and introduce a new consideration on the estimate of computing time between the quasi-static and the fully self-consistent modes
Self-consistent model of a solid for the description of lattice and magnetic properties
International Nuclear Information System (INIS)
Balcerzak, T.; Szałowski, K.; Jaščur, M.
2017-01-01
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting spins is assumed, which couples the magnetic and the lattice subsystem. The framework is based on summation of the Gibbs free energies for the lattice subsystem and magnetic subsystem. On the basis of minimization principle for the Gibbs energy, a set of equations of state for the system is derived. These equations of state combine the parameters describing the elastic properties (relative volume deformation) and the magnetic properties (magnetization changes). The formalism is extensively illustrated with the numerical calculations performed for a system of ferromagnetically coupled spins S=1/2 localized at the sites of simple cubic lattice. In particular, the significant influence of the magnetic subsystem on the elastic properties is demonstrated. It manifests itself in significant modification of such quantities as the relative volume deformation, thermal expansion coefficient or isothermal compressibility, in particular, in the vicinity of the magnetic phase transition. On the other hand, the influence of lattice subsystem on the magnetic one is also evident. It takes, for example, the form of dependence of the critical (Curie) temperature and magnetization itself on the external pressure, which is thoroughly investigated.
Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling.
Pera, H; Kleijn, J M; Leermakers, F A M
2014-02-14
To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus kc and k̄ and the preferred monolayer curvature J(0)(m), and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of kc and the area compression modulus kA are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k̄ and J(0)(m) can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k̄ and J(0)(m) change sign with relevant parameter changes. Although typically k̄ 0, especially at low ionic strengths. We anticipate that these changes lead to unstable membranes as these become vulnerable to pore formation or disintegration into lipid disks.
Self-consistent second-order Green’s function perturbation theory for periodic systems
International Nuclear Information System (INIS)
Rusakov, Alexander A.; Zgid, Dominika
2016-01-01
Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green’s function methods capable of quantitatively describing weak and at least qualitatively strong correlations appear as promising candidates for computational treatment of periodic systems. We present a periodic implementation of temperature-dependent self-consistent 2nd-order Green’s function (GF2) method, where the self-energy is evaluated in the basis of atomic orbitals. Evaluating the real-space self-energy in atomic orbitals and solving the Dyson equation in k-space are the key components of a computationally feasible algorithm. We apply this technique to the one-dimensional hydrogen lattice — a prototypical crystalline system with a realistic Hamiltonian. By analyzing the behavior of the spectral functions, natural occupations, and self-energies, we claim that GF2 is able to recover metallic, band insulating, and at least qualitatively Mott regimes. We observe that the iterative nature of GF2 is essential to the emergence of the metallic and Mott phases
A feasibility study on FP transmutation for Self-Consistent Nuclear Energy System (SCNES)
International Nuclear Information System (INIS)
Fujita, Reiko; Kawashima, Masatoshi; Ueda, Hiroaki; Takagi, Ryuzo; Matsuura, Haruaki; Fujii-e, Yoichi
1997-01-01
A fast reactor core/fuel cycle concept is discussed for the future 'Self-Consistent Nuclear Energy System (SCNES)' concept. The present study mainly discussed long-lived fission products (LLFPs) burning capability and recycle scheme in the framework of metallic fuel fast reactor cycle, aiming at the goals for fuel breeding capability and confinement for TRU and radio-active FPs within the system. In present paper, burning capability for Cs135 and Zr93 is mainly discussed from neutronic and chemical view points, assuming metallic fuel cycle system. The recent experimental results indicate that Cs can be separable along with the pyroprocess for metal fuel recycle system, as previously designed for a candidate fuel cycle system. Combining neutron spectrum-shift for target sub-assemblies and isotope separation using tunable laser, LLFP burning capability is enhanced. This result indicates that major LLFPs can be treated in the additional recycle schemes to avoid LLFP accumulation along with energy production. In total, the proposed fuel cycle is an candidate for realizing SCNES concept. (author)
From virtual clustering analysis to self-consistent clustering analysis: a mathematical study
Tang, Shaoqiang; Zhang, Lei; Liu, Wing Kam
2018-03-01
In this paper, we propose a new homogenization algorithm, virtual clustering analysis (VCA), as well as provide a mathematical framework for the recently proposed self-consistent clustering analysis (SCA) (Liu et al. in Comput Methods Appl Mech Eng 306:319-341, 2016). In the mathematical theory, we clarify the key assumptions and ideas of VCA and SCA, and derive the continuous and discrete Lippmann-Schwinger equations. Based on a key postulation of "once response similarly, always response similarly", clustering is performed in an offline stage by machine learning techniques (k-means and SOM), and facilitates substantial reduction of computational complexity in an online predictive stage. The clear mathematical setup allows for the first time a convergence study of clustering refinement in one space dimension. Convergence is proved rigorously, and found to be of second order from numerical investigations. Furthermore, we propose to suitably enlarge the domain in VCA, such that the boundary terms may be neglected in the Lippmann-Schwinger equation, by virtue of the Saint-Venant's principle. In contrast, they were not obtained in the original SCA paper, and we discover these terms may well be responsible for the numerical dependency on the choice of reference material property. Since VCA enhances the accuracy by overcoming the modeling error, and reduce the numerical cost by avoiding an outer loop iteration for attaining the material property consistency in SCA, its efficiency is expected even higher than the recently proposed SCA algorithm.
Renormalisation of a self-consistent scheme in quantum field theories at finite temperature
International Nuclear Information System (INIS)
Reinosa, Urko
2003-01-01
In this thesis, we study the renormalisation of a self-consistent technique in quantum field theory at finite temperature. The so-called two-particle-irreducible scheme is useful to deal with strongly interacting quantum systems where the fluctuations are however soft enough to distribute the main interactions among quasiparticle degrees of freedom. Numerous non-relativistic systems follow this quasiparticle picture but also relativistic ones such as the quark gluon plasma (high temperature phase of Quantum Chromodynamics). The success of such techniques stems essentially from the fact that these are non-perturbative methods. This is however the source of a certain number of difficulties in particular in the framework of quantum field theories since ultraviolet divergences have to be eliminated in a non-perturbative context. This thesis shows how to proceed with the renormalisation of this scheme in the case of a scalar theory with φ 4 interaction, at finite temperature. We also discuss the independence of the counterterms with respect to temperature, which is a crucial question when defining trustworthy physical quantities. (author) [fr
Semi-holography for heavy ion collisions: self-consistency and first numerical tests
Mukhopadhyay, Ayan; Preis, Florian; Rebhan, Anton; Stricker, Stefan A.
2016-05-01
We present an extended version of a recently proposed semi-holographic model for heavy-ion collisions, which includes self-consistent couplings between the Yang-Mills fields of the Color Glass Condensate framework and an infrared AdS/CFT sector, such as to guarantee the existence of a conserved energy-momentum tensor for the combined system that is local in space and time, which we also construct explicitly. Moreover, we include a coupling of the topological charge density in the glasma to the same of the holographic infrared CFT. The semi-holographic approach makes it possible to combine CGC initial conditions and weak-coupling glasma field equations with a simultaneous evolution of a strongly coupled infrared sector describing the soft gluons radiated by hard partons. As a first numerical test of the semi-holographic model we study the dynamics of fluctuating homogeneous color-spin-locked Yang-Mills fields when coupled to a homogeneous and isotropic energy-momentum tensor of the holographic IR-CFT, and we find rapid convergence of the iterative numerical procedure suggested earlier.
Isoscalar and isovector giant resonances in a self-consistent phonon coupling approach
Directory of Open Access Journals (Sweden)
N. Lyutorovich
2015-10-01
Full Text Available We present fully self-consistent calculations of isoscalar giant monopole and quadrupole as well as isovector giant dipole resonances in heavy and light nuclei. The description is based on Skyrme energy-density functionals determining the static Hartree–Fock ground state and the excitation spectra within random-phase approximation (RPA and RPA extended by including the quasiparticle-phonon coupling at the level of the time-blocking approximation (TBA. All matrix elements were derived consistently from the given energy-density functional and calculated without any approximation. As a new feature in these calculations, the single-particle continuum was included thus avoiding the artificial discretization usually implied in RPA and TBA. The step to include phonon coupling in TBA leads to small, but systematic, down shifts of the centroid energies of the giant resonances. These shifts are similar in size for all Skyrme parametrizations investigated here. After all, we demonstrate that one can find Skyrme parametrizations which deliver a good simultaneous reproduction of all three giant resonances within TBA.
Generalized molecular orbital theory: a limited multiconfiguration self-consistent-field-theory
International Nuclear Information System (INIS)
Hall, M.B.
1981-01-01
The generalized molecular orbital (GMO) approach is a limited type of multiconfiguration self-consistent-field (MCSCF) calculation which divides the orbitals of a closed shell molecule into four shells: doubly occupied, strongly occupied, weakly occupied, and unoccupied. The orbitals within each shell have the same occupation number and are associated with the same Fock operator. Thus, the orbital optimization is ideally suited to solution via a coupling operator. The determination of the orbitals is followed by a configuration interaction (CI) calculation within the strongly and weakly occupied shells. Results for BH 3 show a striking similarity between the GMO's and the natural orbitals (NO's) from an all singles and doubles CI calculation. Although the GMO approach would not be accurate for an entire potential surface, results for spectroscopic constants of N 2 show that it is suitable near the equilibrium geometry. This paper describes the use of the GMO technique to determine the primary orbital space, but a potentially important application may be in the determination of a secondary orbital space following a more accurate MCSCF determination of the primary space
Magy: Time dependent, multifrequency, self-consistent code for modeling electron beam devices
International Nuclear Information System (INIS)
Botton, M.; Antonsen, T.M.; Levush, B.
1997-01-01
A new MAGY code is being developed for three dimensional modeling of electron beam devices. The code includes a time dependent multifrequency description of the electromagnetic fields and a self consistent analysis of the electrons. The equations of motion are solved with the electromagnetic fields as driving forces and the resulting trajectories are used as current sources for the fields. The calculations of the electromagnetic fields are based on the waveguide modal representation, which allows the solution of relatively small number of coupled one dimensional partial differential equations for the amplitudes of the modes, instead of the full solution of Maxwell close-quote s equations. Moreover, the basic time scale for updating the electromagnetic fields is the cavity fill time and not the high frequency of the fields. In MAGY, the coupling among the various modes is determined by the waveguide non-uniformity, finite conductivity of the walls, and the sources due to the electron beam. The equations of motion of the electrons are solved assuming that all the electrons traverse the cavity in less than the cavity fill time. Therefore, at each time step, a set of trajectories are calculated with the high frequency and other external fields as the driving forces. The code includes a verity of diagnostics for both electromagnetic fields and particles trajectories. It is simple to operate and requires modest computing resources, thus expected to serve as a design tool. copyright 1997 American Institute of Physics
International Nuclear Information System (INIS)
Procassini, R.J.; Birdsall, C.K.; Morse, E.C.
1990-01-01
A fully kinetic particle-in-cell (PIC) model is used to self-consistently determine the steady-state potential profile in a collisionless plasma that contacts a floating, absorbing boundary. To balance the flow of particles to the wall, a distributed source region is used to inject particles into the one-dimensional system. The effect of the particle source distribution function on the source region and collector sheath potential drops, and particle velocity distributions is investigated. The ion source functions proposed by Emmert et al. [Phys. Fluids 23, 803 (1980)] and Bissell and Johnson [Phys. Fluids 30, 779 (1987)] (and various combinations of these) are used for the injection of both ions and electrons. The values of the potential drops obtained from the PIC simulations are compared to those from the theories of Emmert et al., Bissell and Johnson, and Scheuer and Emmert [Phys. Fluids 31, 3645 (1988)], all of which assume that the electron density is related to the plasma potential via the Boltzmann relation. The values of the source region and total potential drop are found to depend on the choice of the electron source function, as well as the ion source function. The question of an infinite electric field at the plasma--sheath interface, which arises in the analyses of Bissell and Johnson and Scheuer and Emmert, is also addressed
Self-consistent spectral function for non-degenerate Coulomb systems and analytic scaling behaviour
International Nuclear Information System (INIS)
Fortmann, Carsten
2008-01-01
Novel results for the self-consistent single-particle spectral function and self-energy are presented for non-degenerate one-component Coulomb systems at various densities and temperatures. The GW (0) -method for the dynamical self-energy is used to include many-particle correlations beyond the quasi-particle approximation. The self-energy is analysed over a broad range of densities and temperatures (n = 10 17 cm -3 -10 27 cm -3 , T = 10 2 eV/k B -10 4 eV/k B ). The spectral function shows a systematic behaviour, which is determined by collective plasma modes at small wavenumbers and converges towards a quasi-particle resonance at higher wavenumbers. In the low density limit, the numerical results comply with an analytic scaling law that is presented for the first time. It predicts a power-law behaviour of the imaginary part of the self-energy, ImΣ ∼ -n 1/4 . This resolves a long time problem of the quasi-particle approximation which yields a finite self-energy at vanishing density
Neutron excess generation by fusion neutron source for self-consistency of nuclear energy system
International Nuclear Information System (INIS)
Saito, Masaki; Artisyuk, V.; Chmelev, A.
1999-01-01
The present day fission energy technology faces with the problem of transmutation of dangerous radionuclides that requires neutron excess generation. Nuclear energy system based on fission reactors needs fuel breeding and, therefore, suffers from lack of neutron excess to apply large-scale transmutation option including elimination of fission products. Fusion neutron source (FNS) was proposed to improve neutron balance in the nuclear energy system. Energy associated with the performance of FNS should be small enough to keep the position of neutron excess generator, thus, leaving the role of dominant energy producers to fission reactors. The present paper deals with development of general methodology to estimate the effect of neutron excess generation by FNS on the performance of nuclear energy system as a whole. Multiplication of fusion neutrons in both non-fissionable and fissionable multipliers was considered. Based on the present methodology it was concluded that neutron self-consistency with respect to fuel breeding and transmutation of fission products can be attained with small fraction of energy associated with innovated fusion facilities. (author)
Neural-network accelerated fusion simulation with self-consistent core-pedestal coupling
Meneghini, O.; Candy, J.; Snyder, P. B.; Staebler, G.; Belli, E.
2016-10-01
Practical fusion Whole Device Modeling (WDM) simulations require the ability to perform predictions that are fast, but yet account for the sensitivity of the fusion performance to the boundary constraint that is imposed by the pedestal structure of H-mode plasmas due to the stiff core transport models. This poster presents the development of a set of neural-network (NN) models for the pedestal structure (as predicted by the EPED model), and the neoclassical and turbulent transport fluxes (as predicted by the NEO and TGLF codes, respectively), and their self-consistent coupling within the TGYRO transport code. The results are benchmarked with the ones obtained via the coupling scheme described in [Meneghini PoP 2016]. By substituting the most demanding codes with their NN-accelerated versions, the solution can be found at a fraction of the computation cost of the original coupling scheme, thereby combining the accuracy of a high-fidelity model with the fast turnaround time of a reduced model. Work supported by U.S. DOE DE-FC02-04ER54698 and DE-FG02-95ER54309.
Comparison of squashing and self-consistent input-output models of quantum feedback
Peřinová, V.; Lukš, A.; Křepelka, J.
2018-03-01
The paper (Yanagisawa and Hope, 2010) opens with two ways of analysis of a measurement-based quantum feedback. The scheme of the feedback includes, along with the homodyne detector, a modulator and a beamsplitter, which does not enable one to extract the nonclassical field. In the present scheme, the beamsplitter is replaced by the quantum noise evader, which makes it possible to extract the nonclassical field. We re-approach the comparison of two models related to the same scheme. The first one admits that in the feedback loop between the photon annihilation and creation operators, unusual commutation relations hold. As a consequence, in the feedback loop, squashing of the light occurs. In the second one, the description arrives at the feedback loop via unitary transformations. But it is obvious that the unitary transformation which describes the modulator changes even the annihilation operator of the mode which passes by the modulator which is not natural. The first model could be called "squashing model" and the second one could be named "self-consistent model". Although the predictions of the two models differ only a little and both the ways of analysis have their advantages, they have also their drawbacks and further investigation is possible.
Linking lipid architecture to bilayer structure and mechanics using self-consistent field modelling
International Nuclear Information System (INIS)
Pera, H.; Kleijn, J. M.; Leermakers, F. A. M.
2014-01-01
To understand how lipid architecture determines the lipid bilayer structure and its mechanics, we implement a molecularly detailed model that uses the self-consistent field theory. This numerical model accurately predicts parameters such as Helfrichs mean and Gaussian bending modulus k c and k ¯ and the preferred monolayer curvature J 0 m , and also delivers structural membrane properties like the core thickness, and head group position and orientation. We studied how these mechanical parameters vary with system variations, such as lipid tail length, membrane composition, and those parameters that control the lipid tail and head group solvent quality. For the membrane composition, negatively charged phosphatidylglycerol (PG) or zwitterionic, phosphatidylcholine (PC), and -ethanolamine (PE) lipids were used. In line with experimental findings, we find that the values of k c and the area compression modulus k A are always positive. They respond similarly to parameters that affect the core thickness, but differently to parameters that affect the head group properties. We found that the trends for k ¯ and J 0 m can be rationalised by the concept of Israelachivili's surfactant packing parameter, and that both k ¯ and J 0 m change sign with relevant parameter changes. Although typically k ¯ 0 m ≫0, especially at low ionic strengths. We anticipate that these changes lead to unstable membranes as these become vulnerable to pore formation or disintegration into lipid disks
Two-dimensional self-consistent microwave argon plasma simulations with experimental verification
International Nuclear Information System (INIS)
Li, Y.; Gordon, M.H.; Roe, L.A.; Hassouni, K.; Grotjohn, T.
2003-01-01
Optical emission spectroscopy (OES), absorption measurements, and thermal energy rate analysis were used in tandem with numerical models to characterize microwave argon plasmas. A WAVEMAT (model MPDR-3135) microwave diamond deposition system was used to generate argon plasmas at 5 Torr. Three excited state number densities (4p, 5p, and 5d) were obtained from the OES measurements, and a fourth excited state number density (4s) was obtained from the absorption measurements. Further, power absorbed in the substrate was monitored. A self-consistent two-dimensional argon model coupled with an electromagnetic field model and a 25-level two-dimensional (2D)-collisional-radiative model (CRM) was developed and validated with the experimental measurements. The 2D model provides the gas and electron temperature distributions, and the electron, ion, and 4s state number densities, which are then iteratively fed into the electromagnetic and CRM models. Both the numerically predicted thermal energy rates and excited state densities agreed, within the experimental and numerical uncertainties, with the experimental results
Charge transfer from first principles: self-consistent GW applied to donor-acceptor systems
Atalla, Viktor; Caruso, Fabio; Rubio, Angel; Scheffler, Matthias; Rinke, Patrick
2015-03-01
Charge transfer in donor-acceptor systems (DAS) is determined by the relative alignment between the frontier orbitals of the donor and the acceptor. Semi-local approximations to density functional theory (DFT) may give a qualitatively wrong level alignment in DAS, leading to unphysical fractional electron transfer in weakly bound donor-acceptor pairs. GW calculations based on first-order perturbation theory (G0W0) correct the level alignment, but leave unaffected the electron density. We demonstrate that self-consistent GW (sc GW) provides an ideal framework for the description of charge transfer in DAS. Moreover, sc GW seamlessly accounts for many-body correlations and van der Waals interactions. As in G0W0 , the sc GW level alignment is in agreement with experimental reference data. However in sc GW , also the electron density is treated at the GW level and, therefore, it is consistent with the level alignment between donor and acceptor leading to a qualitatively correct description of charge-transfer properties.
Self-consistent model of a solid for the description of lattice and magnetic properties
Energy Technology Data Exchange (ETDEWEB)
Balcerzak, T., E-mail: t_balcerzak@uni.lodz.pl [Department of Solid State Physics, Faculty of Physics and Applied Informatics, University of Łódź, ulica Pomorska 149/153, 90-236 Łódź (Poland); Szałowski, K., E-mail: kszalowski@uni.lodz.pl [Department of Solid State Physics, Faculty of Physics and Applied Informatics, University of Łódź, ulica Pomorska 149/153, 90-236 Łódź (Poland); Jaščur, M. [Department of Theoretical Physics and Astrophysics, Faculty of Science, P. J. Šáfárik University, Park Angelinum 9, 041 54 Košice (Slovakia)
2017-03-15
In the paper a self-consistent theoretical description of the lattice and magnetic properties of a model system with magnetoelastic interaction is presented. The dependence of magnetic exchange integrals on the distance between interacting spins is assumed, which couples the magnetic and the lattice subsystem. The framework is based on summation of the Gibbs free energies for the lattice subsystem and magnetic subsystem. On the basis of minimization principle for the Gibbs energy, a set of equations of state for the system is derived. These equations of state combine the parameters describing the elastic properties (relative volume deformation) and the magnetic properties (magnetization changes). The formalism is extensively illustrated with the numerical calculations performed for a system of ferromagnetically coupled spins S=1/2 localized at the sites of simple cubic lattice. In particular, the significant influence of the magnetic subsystem on the elastic properties is demonstrated. It manifests itself in significant modification of such quantities as the relative volume deformation, thermal expansion coefficient or isothermal compressibility, in particular, in the vicinity of the magnetic phase transition. On the other hand, the influence of lattice subsystem on the magnetic one is also evident. It takes, for example, the form of dependence of the critical (Curie) temperature and magnetization itself on the external pressure, which is thoroughly investigated.
A self-consistent, relativistic implementation of the LSDA+DMFT method
Minár, J.; Ebert, H.; Chioncel, L.
2017-07-01
In this review we report on developments and various applications of the combined Density Functional and Dynamical Mean-Field Theory, the so-called LSDA + DMFT method, as implemented within the fully relativistic KKR (Korringa-Kohn-Rostoker) band structure method. The KKR uses a description of the electronic structure in terms of the single-particle Green function, which allows to study correlation effects in ordered and disordered systems independently of its dimensionality (bulk, surfaces and nano-structures). We present self-consistent LSDA+DMFT results for the ground state and spectroscopic properties of transition metal elements and their compounds. In particular we discuss the spin-orbit induced orbital magnetic moments for FexNi1-x disordered alloys, the magnetic Compton profiles of fcc Ni and the angle-resolved photoemission spectroscopy (ARPES) spectra for gallium manganese arsenide dilute magnetic semiconductors. For the (GaMn)As system a direct comparison with the experimental ARPES spectra demonstrates the importance of matrix element effects, the presence of the semi-infinite surface and the inclusion of layer-dependent self-energies.
Böttger, B.; Eiken, J.; Apel, M.
2009-10-01
Performing microstructure simulation of technical casting processes suffers from the strong interdependency between latent heat release due to local microstructure formation and heat diffusion on the macroscopic scale: local microstructure formation depends on the macroscopic heat fluxes and, in turn, the macroscopic temperature solution depends on the latent heat release, and therefore on the microstructure formation, in all parts of the casting. A self-consistent homoenthalpic approximation to this micro-macro problem is proposed, based on the assumption of a common enthalpy-temperature relation for the whole casting which is used for the description of latent heat production on the macroscale. This enthalpy-temperature relation is iteratively obtained by phase-field simulations on the microscale, thus taking into account the specific morphological impact on the latent heat production. This new approach is discussed and compared to other approximations for the coupling of the macroscopic heat flux to complex microstructure models. Simulations are performed for the binary alloy Al-3at%Cu, using a multiphase-field solidification model which is coupled to a thermodynamic database. Microstructure formation is simulated for several positions in a simple model plate casting, using a one-dimensional macroscopic temperature solver which can be directly coupled to the microscopic phase-field simulation tool.
International Nuclear Information System (INIS)
Boettger, B.; Eiken, J.; Apel, M.
2009-01-01
Performing microstructure simulation of technical casting processes suffers from the strong interdependency between latent heat release due to local microstructure formation and heat diffusion on the macroscopic scale: local microstructure formation depends on the macroscopic heat fluxes and, in turn, the macroscopic temperature solution depends on the latent heat release, and therefore on the microstructure formation, in all parts of the casting. A self-consistent homoenthalpic approximation to this micro-macro problem is proposed, based on the assumption of a common enthalpy-temperature relation for the whole casting which is used for the description of latent heat production on the macroscale. This enthalpy-temperature relation is iteratively obtained by phase-field simulations on the microscale, thus taking into account the specific morphological impact on the latent heat production. This new approach is discussed and compared to other approximations for the coupling of the macroscopic heat flux to complex microstructure models. Simulations are performed for the binary alloy Al-3at%Cu, using a multiphase-field solidification model which is coupled to a thermodynamic database. Microstructure formation is simulated for several positions in a simple model plate casting, using a one-dimensional macroscopic temperature solver which can be directly coupled to the microscopic phase-field simulation tool.
Energy Technology Data Exchange (ETDEWEB)
Summa, Alexander; Hanke, Florian; Janka, Hans-Thomas; Melson, Tobias [Max-Planck-Institut für Astrophysik, Karl-Schwarzschild-Str. 1, D-85748 Garching (Germany); Marek, Andreas [Max Planck Computing and Data Facility (MPCDF), Gießenbachstr. 2, D-85748 Garching (Germany); Müller, Bernhard, E-mail: asumma@mpa-garching.mpg.de, E-mail: thj@mpa-garching.mpg.de [Astrophysics Research Centre, School of Mathematics and Physics, Queen’s University Belfast, Belfast, BT7 1NN (United Kingdom)
2016-07-01
We present self-consistent, axisymmetric core-collapse supernova simulations performed with the Prometheus-Vertex code for 18 pre-supernova models in the range of 11–28 M {sub ⊙}, including progenitors recently investigated by other groups. All models develop explosions, but depending on the progenitor structure, they can be divided into two classes. With a steep density decline at the Si/Si–O interface, the arrival of this interface at the shock front leads to a sudden drop of the mass-accretion rate, triggering a rapid approach to explosion. With a more gradually decreasing accretion rate, it takes longer for the neutrino heating to overcome the accretion ram pressure and explosions set in later. Early explosions are facilitated by high mass-accretion rates after bounce and correspondingly high neutrino luminosities combined with a pronounced drop of the accretion rate and ram pressure at the Si/Si–O interface. Because of rapidly shrinking neutron star radii and receding shock fronts after the passage through their maxima, our models exhibit short advection timescales, which favor the efficient growth of the standing accretion-shock instability. The latter plays a supportive role at least for the initiation of the re-expansion of the stalled shock before runaway. Taking into account the effects of turbulent pressure in the gain layer, we derive a generalized condition for the critical neutrino luminosity that captures the explosion behavior of all models very well. We validate the robustness of our findings by testing the influence of stochasticity, numerical resolution, and approximations in some aspects of the microphysics.
International Nuclear Information System (INIS)
Hodge, W.L. Jr.
1976-01-01
A multielectron transition is an atomic transition in which two or three electrons change their states and a single photon is emitted. Although the mechanism was postulated in the thirties and observed in optical spectra, little research has been done since then. Experiments using heavy ion accelerators have measured satellite lines lower in energy than the Kα 12 energy and higher in energy than the Kβ satellite structure. These transitions are multielectron transitions. Experimental spectra of x-ray transitions induced by heavy ion bombardment are presented, and the experimental energies are compared to Hartree-Fock transition energies. The transitions observed lower in energy than the Kα line are two electron--one photon radiative Auger and three electron--one photon radiative electron rearrangement transitions. Experimental data taken at other laboratories have measured satellite lines higher in energy than the Kβ satellite structure. Relativistic Dirac-Fock transition energies will be compared to the experimental energies and the transitions will be shown to be two electron--one photon x-ray transitions. Heavy ion bombardment creates multiple inner shell vacancies so numerous that the satellite lines can be more intense than the diagram lines. Theoretical transition energies from five different self-consistent field atomic physics computer programs will be compared to the Kα satellite and Kα hypersatellite transitions of calcium. Transition energies from Declaux's relativistic Dirac-Fock program will be compared to the diagram lines of uranium and to other theoretical K x-ray transition energies of Z = 120. A discussion of how to calculate the term energies of a given configuration using the Slater F and G integrals is included
Toward self-consistent tectono-magmatic numerical model of rift-to-ridge transition
Gerya, Taras; Bercovici, David; Liao, Jie
2017-04-01
Natural data from modern and ancient lithospheric extension systems suggest three-dimensional (3D) character of deformation and complex relationship between magmatism and tectonics during the entire rift-to-ridge transition. Therefore, self-consistent high-resolution 3D magmatic-thermomechanical numerical approaches stand as a minimum complexity requirement for modeling and understanding of this transition. Here we present results from our new high-resolution 3D finite-difference marker-in-cell rift-to-ridge models, which account for magmatic accretion of the crust and use non-linear strain-weakened visco-plastic rheology of rocks that couples brittle/plastic failure and ductile damage caused by grain size reduction. Numerical experiments suggest that nucleation of rifting and ridge-transform patterns are decoupled in both space and time. At intermediate stages, two patterns can coexist and interact, which triggers development of detachment faults, failed rift arms, hyper-extended margins and oblique proto-transforms. En echelon rift patterns typically develop in the brittle upper-middle crust whereas proto-ridge and proto-transform structures nucleate in the lithospheric mantle. These deep proto-structures propagate upward, inter-connect and rotate toward a mature orthogonal ridge-transform patterns on the timescale of millions years during incipient thermal-magmatic accretion of the new oceanic-like lithosphere. Ductile damage of the extending lithospheric mantle caused by grain size reduction assisted by Zenner pinning plays critical role in rift-to-ridge transition by stabilizing detachment faults and transform structures. Numerical results compare well with observations from incipient spreading regions and passive continental margins.
Flow harmonics from self-consistent particlization of a viscous fluid
Wolff, Zack; Molnar, Denes
2017-10-01
The quantitative extraction of quark-gluon plasma (QGP) properties from heavy-ion data, such as its specific shear viscosity η /s , typically requires comparison to viscous hydrodynamic or "hybrid" hydrodynamics + transport simulations. In either case, one has to convert the fluid to hadrons, yet without additional theory input the conversion is ambiguous for dissipative fluids. Here, shear viscous phase-space corrections calculated using linearized transport theory are applied in Cooper-Frye freeze-out to quantify the effects on anisotropic flow coefficients vn(pT) at the energies available at both the BNL Relativistic Heavy Ion Collider and the CERN Large Hadron Collider. Expanding upon our previous flow harmonics studies [D. Molnar and Z. Wolff, Phys. Rev. C 95, 024903 (2017), 10.1103/PhysRevC.95.024903; Z. Wolff and D. Molnar, J. Phys.: Conf. Ser. 535, 012020 (2014), 10.1088/1742-6596/535/1/012020], we calculate pion and proton v2(pT) , v4(pT) , and v6(pT) , but here we incorporate a hadron gas that is chemically frozen below a temperature of 175 MeV and use hypersurfaces from realistic viscous hydrodynamic simulations. For additive quark model cross sections and relative phase-space corrections with p3 /2 momentum dependence rather than the quadratic Grad form, we find at moderately high transverse momentum noticeably higher v4(pT) and v6(pT) for protons than for pions. In addition, the value of η /s deduced from elliptic flow data differs by nearly 50% from the value extracted using the naive "democratic Grad" form of freeze-out distributions. To facilitate the use of the self-consistent viscous corrections calculated here in hydrodynamic and hybrid calculations, we also present convenient parametrizations of the corrections for the various hadron species.
Piephoff, D Evan; Cao, Jianshu
2018-04-23
We recently developed a pathway analysis framework (paper 1) for describing single-molecule kinetics for renewal (i.e., memoryless) processes based on the decomposition of a kinetic scheme into generic structures. In our approach, waiting time distribution functions corresponding to such structures are expressed in terms of self-consistent pathway solutions and concatenated to form measurable probability distribution functions (PDFs), affording a simple way to decompose and recombine a network. Here, we extend this framework to nonrenewal processes, which involve correlations between events, and employ it to formulate waiting time PDFs, including the first-passage time PDF, for a general kinetic network model. Our technique does not require the assumption of Poissonian kinetics, permitting a more general kinetic description than the usual rate approach, with minimal topological restrictiveness. To demonstrate the usefulness of this technique, we provide explicit calculations for our general model, which we adapt to two generic schemes for single-enzyme turnover with conformational interconversion. For each generic scheme, wherein the intermediate state(s) need not undergo Poissonian decay, the functional dependence of the mean first-passage time on the concentration of an external substrate is analyzed. When conformational detailed balance is satisfied, the enzyme turnover rate (related to the mean first-passage time) reduces to the celebrated Michaelis-Menten functional form, consistent with our previous work involving a similar scheme with all rate processes, thereby establishing further generality to this intriguing result. Our framework affords a general and intuitive approach for evaluating measurable waiting time PDFs and their moments, making it a potentially useful kinetic tool for a wide variety of single-molecule processes.
Self-Consistent Field Theories for the Role of Large Length-Scale Architecture in Polymers
Wu, David
At large length-scales, the architecture of polymers can be described by a coarse-grained specification of the distribution of branch points and monomer types within a molecule. This includes molecular topology (e.g., cyclic or branched) as well as distances between branch points or chain ends. Design of large length-scale molecular architecture is appealing because it offers a universal strategy, independent of monomer chemistry, to tune properties. Non-linear analogs of linear chains differ in molecular-scale properties, such as mobility, entanglements, and surface segregation in blends that are well-known to impact rheological, dynamical, thermodynamic and surface properties including adhesion and wetting. We have used Self-Consistent Field (SCF) theories to describe a number of phenomena associated with large length-scale polymer architecture. We have predicted the surface composition profiles of non-linear chains in blends with linear chains. These predictions are in good agreement with experimental results, including from neutron scattering, on a range of well-controlled branched (star, pom-pom and end-branched) and cyclic polymer architectures. Moreover, the theory allows explanation of the segregation and conformations of branched polymers in terms of effective surface potentials acting on the end and branch groups. However, for cyclic chains, which have no end or junction points, a qualitatively different topological mechanism based on conformational entropy drives cyclic chains to a surface, consistent with recent neutron reflectivity experiments. We have also used SCF theory to calculate intramolecular and intermolecular correlations for polymer chains in the bulk, dilute solution, and trapped at a liquid-liquid interface. Predictions of chain swelling in dilute star polymer solutions compare favorably with existing PRISM theory and swelling at an interface helps explain recent measurements of chain mobility at an oil-water interface. In collaboration
Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals
Kutepov, A. L.; Oudovenko, V. S.; Kotliar, G.
2017-10-01
We present a code implementing the linearized quasiparticle self-consistent GW method (LQSGW) in the LAPW basis. Our approach is based on the linearization of the self-energy around zero frequency which differs it from the existing implementations of the QSGW method. The linearization allows us to use Matsubara frequencies instead of working on the real axis. This results in efficiency gains by switching to the imaginary time representation in the same way as in the space time method. The all electron LAPW basis set eliminates the need for pseudopotentials. We discuss the advantages of our approach, such as its N3 scaling with the system size N, as well as its shortcomings. We apply our approach to study the electronic properties of selected semiconductors, insulators, and simple metals and show that our code produces the results very close to the previously published QSGW data. Our implementation is a good platform for further many body diagrammatic resummations such as the vertex-corrected GW approach and the GW+DMFT method. Program Files doi:http://dx.doi.org/10.17632/cpchkfty4w.1 Licensing provisions: GNU General Public License Programming language: Fortran 90 External routines/libraries: BLAS, LAPACK, MPI (optional) Nature of problem: Direct implementation of the GW method scales as N4 with the system size, which quickly becomes prohibitively time consuming even in the modern computers. Solution method: We implemented the GW approach using a method that switches between real space and momentum space representations. Some operations are faster in real space, whereas others are more computationally efficient in the reciprocal space. This makes our approach scale as N3. Restrictions: The limiting factor is usually the memory available in a computer. Using 10 GB/core of memory allows us to study the systems up to 15 atoms per unit cell.
Self-consistent field modeling of adsorption from polymer/surfactant mixtures.
Postmus, Bart R; Leermakers, Frans A M; Cohen Stuart, Martien A
2008-06-01
We report on the development of a self-consistent field model that describes the competitive adsorption of nonionic alkyl-(ethylene oxide) surfactants and nonionic polymer poly(ethylene oxide) (PEO) from aqueous solutions onto silica. The model explicitly describes the response to the pH and the ionic strength. On an inorganic oxide surface such as silica, the dissociation of the surface depends on the pH. However, salt ions can screen charges on the surface, and hence, the number of dissociated groups also depends on the ionic strength. Furthermore, the solvent quality for the EO groups is a function of the ionic strength. Using our model, we can compute bulk parameters such as the average size of the polymer coil and the surfactant CMC. We can make predictions on the adsorption behavior of either polymers or surfactants, and we have made adsorption isotherms, i.e., calculated the relationship between the surface excess and its corresponding bulk concentration. When we add both polymer and surfactant to our mixture, we can find a surfactant concentration (or, more precisely, a surfactant chemical potential) below which only the polymer will adsorb and above which only the surfactant will adsorb. The corresponding surfactant concentration is called the CSAC. In a first-order approximation, the surfactant chemical potential has the CMC as its upper bound. We can find conditions for which CMC model is to understand the experimental data from one of our previous articles. We managed to explain most, but unfortunately not all, of the experimental trends. At the end of the article we discuss the possibilities for improving the model.
The Devil in the Dark: A Fully Self-Consistent Seismic Model for Venus
Unterborn, C. T.; Schmerr, N. C.; Irving, J. C. E.
2017-12-01
The bulk composition and structure of Venus is unknown despite accounting for 40% of the mass of all the terrestrial planets in our Solar System. As we expand the scope of planetary science to include those planets around other stars, the lack of measurements of basic planetary properties such as moment of inertia, core-size and thermal profile for Venus hinders our ability to compare the potential uniqueness of the Earth and our Solar System to other planetary systems. Here we present fully self-consistent, whole-planet density and seismic velocity profiles calculated using the ExoPlex and BurnMan software packages for various potential Venusian compositions. Using these models, we explore the seismological implications of the different thermal and compositional initial conditions, taking into account phase transitions due to changes in pressure, temperature as well as composition. Using mass-radius constraints, we examine both the centre frequencies of normal mode oscillations and the waveforms and travel times of body waves. Seismic phases which interact with the core, phase transitions in the mantle, and shallower parts of Venus are considered. We also consider the detectability and transmission of these seismic waves from within the dense atmosphere of Venus. Our work provides coupled compositional-seismological reference models for the terrestrial planet in our Solar System of which we know the least. Furthermore, these results point to the potential wealth of fundamental scientific insights into Venus and Earth, as well as exoplanets, which could be gained by including a seismometer on future planetary exploration missions to Venus, the devil in the dark.
Time-dependent restricted-active-space self-consistent-field theory with space partition
Miyagi, Haruhide; Madsen, Lars Bojer
2017-02-01
Aiming at efficient numerical analysis of time-dependent (TD) many-electron dynamics of atoms involving multielectron continua, the TD restricted-active-space self-consistent-field theory with space partition (TD-RASSCF-SP) is presented. The TD-RASSCF-SP wave function is expanded in terms of TD configuration-interaction coefficients with Slater determinants composed of two kinds of TD orbitals: M ̂ orbitals are defined to be nonvanishing in the inner region (V ̂), a small volume around the atomic nucleus, and M ˇ orbitals are nonvanishing in the large outer region (V ˇ). For detailed discussion of the SP strategy, the equations of motion are derived by two different formalisms for comparison. To ensure continuous differentiability of the wave function across the two regions, one of the formalisms makes use of the property of the finite-element discrete-variable-representation (FEDVR) functions and introduces additional time-independent orbitals. The other formalism is more general and is based on the Bloch operator as in the R -matrix theory, but turns out to be less practical for numerical applications. Hence, using the FEDVR-based formalism, the numerical performance is tested by computing double-ionization dynamics of atomic beryllium in intense light fields. To achieve high accuracy, M ̂ should be set large to take into account the strong many-electron correlation around the nucleus. On the other hand, M ˇ can be set much smaller than M ̂ for capturing the weaker correlation between the two outgoing photoelectrons. As a result, compared with more accurate multiconfigurational TD Hartree-Fock (MCTDHF) method, the TD-RASSCF-SP method may achieve comparable accuracy in the description of the double-ionization dynamics. There are, however, difficulties related to the stiffness of the equations of motion of the TD-RASSCF-SP method, which makes the required time step for this method smaller than the one needed for the MCTDHF approach.
Martínez-Veracoechea, Francisco J.
2009-03-10
A combination of particle-based simulations and self-consistent field theory (SCFT) is used to study the stabilization of multiple ordered bicontinuous phases in blends of a diblock copolymer (DBC) and a homopolymer. The double-diamond phase (DD) and plumber\\'s nightmare phase (P) were spontaneously formed in the range of homopolymer volume fraction simulated via coarse-grained molecular dynamics. To the best of our knowledge, this is the first time that such phases have been obtained in continuum-space molecular simulations of DBC systems. Though tentative phase boundaries were delineated via free-energy calculations, macrophase separation could not be satisfactorily assessed within the framework of particle-based simulations. Therefore, SCFT was used to explore the DBC/homopolymer phase diagram in more detail, showing that although in many cases two-phase coexistence of a DBC-rich phase and a homopolymer-rich phase does precede the stability of complex bicontinuous phases the DD phase can be stable in a relatively wide region of the phase diagram. Whereas the P phase was always metastable with respect to macrophase separation under the thermodynamic conditions explored with SCFT, it was sometimes nearly stable, suggesting that full stability could be achieved in other unexplored regions of parameter space. Moreover, even the predicted DD- and P-phase metastability regions were located significantly far from the spinodal line, suggesting that these phases could be observed in experiments as "long-lived" metastable phases under those conditions. This conjecture is also consistent with large-system molecular dynamics simulations that showed that the time scale of mesophase formation is much faster than that of macrophase separation. © 2009 American Chemical Society.
Energy Technology Data Exchange (ETDEWEB)
Gepraegs, R.; Schmitz, G.; Peters, D. [Institut fuer Atmosphaerenphysik, Kuehlungsborn (Germany)
1997-12-31
A 2D version of the ECHAM T21 climate model has been developed. The new model includes an efficient spectral transport scheme with implicit diffusion. Furthermore, photodissociation and chemistry of the NCAR 2D model have been incorporated. A self consistent parametrization scheme is used for eddy heat- and momentum flux in the troposphere. It is based on the heat flux parametrization of Branscome and mixing-length formulation for quasi-geostrophic vorticity. Above 150 hPa the mixing-coefficient K{sub yy} is prescribed. Some of the model results are discussed, concerning especially the impact of aircraft NO{sub x} emission on the model chemistry. (author) 6 refs.
Berryman, James G
2011-04-01
Methods for computing Hashin-Shtrikman bounds and related self-consistent estimates of elastic constants for polycrystals composed of crystals having orthorhombic symmetry have been known for about three decades. However, these methods are underutilized, perhaps because of some perceived difficulties with implementing the necessary computational procedures. Several simplifications of these techniques are introduced, thereby reducing the overall computational burden, as well as the complications inherent in mapping out the Hashin-Shtrikman bounding curves. The self-consistent estimates of the effective elastic constants are very robust, involving a quickly converging iteration procedure. Once these self-consistent values are known, they may then be used to speed up the computations of the Hashin-Shtrikman bounds themselves. It is shown furthermore that the resulting orthorhombic polycrystal code can be used as well to compute both bounds and self-consistent estimates for polycrystals of higher-symmetry tetragonal, hexagonal, and cubic (but not trigonal) materials. The self-consistent results found this way are shown to be the same as those obtained using the earlier methods, specifically those methods designed specially for each individual symmetry type. But the Hashin-Shtrikman bounds found using the orthorhombic code are either the same or (more typically) tighter than those found previously for these special cases (i.e., tetragonal, hexagonal, and cubic). The improvement in the Hashin-Shtrikman bounds is presumably due to the additional degrees of freedom introduced into the available search space.
Energy Technology Data Exchange (ETDEWEB)
Berryman, J. G.
2011-02-01
Methods for computing Hashin-Shtrikman bounds and related self-consistent estimates of elastic constants for polycrystals composed of crystals having orthorhombic symmetry have been known for about three decades. However, these methods are underutilized, perhaps because of some perceived difficulties with implementing the necessary computational procedures. Several simplifications of these techniques are introduced, thereby reducing the overall computational burden, as well as the complications inherent in mapping out the Hashin-Shtrikman bounding curves. The self-consistent estimates of the effective elastic constants are very robust, involving a quickly converging iteration procedure. Once these self-consistent values are known, they may then be used to speed up the computations of the Hashin-Shtrikman bounds themselves. It is shown furthermore that the resulting orthorhombic polycrystal code can be used as well to compute both bounds and self-consistent estimates for polycrystals of higher-symmetry tetragonal, hexagonal, and cubic (but not trigonal) materials. The self-consistent results found this way are shown to be the same as those obtained using the earlier methods, specifically those methods designed specially for each individual symmetry type. But the Hashin-Shtrikman bounds found using the orthorhombic code are either the same or (more typically) tighter than those found previously for these special cases (i.e., tetragonal, hexagonal, and cubic). The improvement in the Hashin-Shtrikman bounds is presumably due to the additional degrees of freedom introduced into the available search space.
Directory of Open Access Journals (Sweden)
Ronald C. Davidson
2004-02-01
Full Text Available This paper describes a self-consistent kinetic model for the longitudinal dynamics of a long, coasting beam propagating in straight (linear geometry in the z direction in the smooth-focusing approximation. Starting with the three-dimensional Vlasov-Maxwell equations, and integrating over the phase-space (x_{⊥},p_{⊥} transverse to beam propagation, a closed system of equations is obtained for the nonlinear evolution of the longitudinal distribution function F_{b}(z,p_{z},t and average axial electric field ⟨E_{z}^{s}⟩(z,t. The primary assumptions in the present analysis are that the dependence on axial momentum p_{z} of the distribution function f_{b}(x,p,t is factorable, and that the transverse beam dynamics remains relatively quiescent (absence of transverse instability or beam mismatch. The analysis is carried out correct to order k_{z}^{2}r_{w}^{2} assuming slow axial spatial variations with k_{z}^{2}r_{w}^{2}≪1, where k_{z}∼∂/∂z is the inverse length scale of axial variation in the line density λ_{b}(z,t=∫dp_{z}F_{b}(z,p_{z},t, and r_{w} is the radius of the conducting wall (assumed perfectly conducting. A closed expression for the average longitudinal electric field ⟨E_{z}^{s}⟩(z,t in terms of geometric factors, the line density λ_{b}, and its derivatives ∂λ_{b}/∂z,… is obtained for the class of bell-shaped density profiles n_{b}(r,z,t=(λ_{b}/πr_{b}^{2}f(r/r_{b}, where the shape function f(r/r_{b} has the form specified by f(r/r_{b}=(n+1(1-r^{2}/r_{b}^{2}^{n} for 0≤r
Self-Consistent Scheme for Spike-Train Power Spectra in Heterogeneous Sparse Networks.
Pena, Rodrigo F O; Vellmer, Sebastian; Bernardi, Davide; Roque, Antonio C; Lindner, Benjamin
2018-01-01
Recurrent networks of spiking neurons can be in an asynchronous state characterized by low or absent cross-correlations and spike statistics which resemble those of cortical neurons. Although spatial correlations are negligible in this state, neurons can show pronounced temporal correlations in their spike trains that can be quantified by the autocorrelation function or the spike-train power spectrum. Depending on cellular and network parameters, correlations display diverse patterns (ranging from simple refractory-period effects and stochastic oscillations to slow fluctuations) and it is generally not well-understood how these dependencies come about. Previous work has explored how the single-cell correlations in a homogeneous network (excitatory and inhibitory integrate-and-fire neurons with nearly balanced mean recurrent input) can be determined numerically from an iterative single-neuron simulation. Such a scheme is based on the fact that every neuron is driven by the network noise (i.e., the input currents from all its presynaptic partners) but also contributes to the network noise, leading to a self-consistency condition for the input and output spectra. Here we first extend this scheme to homogeneous networks with strong recurrent inhibition and a synaptic filter, in which instabilities of the previous scheme are avoided by an averaging procedure. We then extend the scheme to heterogeneous networks in which (i) different neural subpopulations (e.g., excitatory and inhibitory neurons) have different cellular or connectivity parameters; (ii) the number and strength of the input connections are random (Erdős-Rényi topology) and thus different among neurons. In all heterogeneous cases, neurons are lumped in different classes each of which is represented by a single neuron in the iterative scheme; in addition, we make a Gaussian approximation of the input current to the neuron. These approximations seem to be justified over a broad range of parameters as
International Nuclear Information System (INIS)
Colonna, G.; Pietanza, L.D.; D’Ammando, G.
2012-01-01
Graphical abstract: Self-consistent coupling between radiation, state-to-state kinetics, electron kinetics and fluid dynamics. Highlight: ► A CR model of shock-wave in hydrogen plasma has been presented. ► All equations have been coupled self-consistently. ► Non-equilibrium electron and level distributions are obtained. ► The results show non-local effects and non-equilibrium radiation. - Abstract: A collisional-radiative model for hydrogen atom, coupled self-consistently with the Boltzmann equation for free electrons, has been applied to model a shock tube. The kinetic model has been completed considering atom–atom collisions and the vibrational kinetics of the ground state of hydrogen molecules. The atomic level kinetics has been also coupled with a radiative transport equation to determine the effective adsorption and emission coefficients and non-local energy transfer.
Time machines the principle of self-consistency as a consequence of the principle of minimal action
Carlini, A; Mensky, M B; Novikov, I D; Soleng, H H
1995-01-01
We consider the action principle to derive the classical, non-relativistic motion of a self-interacting particle in a 4-D Lorentzian spacetime containing a wormhole and which allows the existence of closed time-like curves. For the case of a `hard-sphere' self-interaction potential we show that the only possible trajectories (for a particle with fixed initial and final positions and which traverses the wormhole once) minimizing the classical action are those which are globally self-consistent, and that the `Principle of self-consistency' (originally introduced by Novikov) is thus a natural consequence of the `Principle of minimal action.'
The exact solution of self-consistent equations in the scanning near-field optic microscopy problem
DEFF Research Database (Denmark)
Lozovski, Valeri; Bozhevolnyi, Sergey I.
1999-01-01
for solving the self-consistent integral equation. The method developed is applied to calculations of near-field optical images obtained in illumination mode. It is assumed that the system under consideration consists of an object illuminated by the field scattered by a small probe. This assumption allows us...... to consider multiple scattering between a (point-like) probe and an extended object as well as inside the object. The exact solution for the self-consistent field is then obtained in terms of effective susceptibility of the probe-object system. Application of our method to the description of orientation...
Simulating coronal condensation dynamics in 3D
Moschou, S. P.; Keppens, R.; Xia, C.; Fang, X.
2015-12-01
We present numerical simulations in 3D settings where coronal rain phenomena take place in a magnetic configuration of a quadrupolar arcade system. Our simulation is a magnetohydrodynamic simulation including anisotropic thermal conduction, optically thin radiative losses, and parametrised heating as main thermodynamical features to construct a realistic arcade configuration from chromospheric to coronal heights. The plasma evaporation from chromospheric and transition region heights eventually causes localised runaway condensation events and we witness the formation of plasma blobs due to thermal instability, that evolve dynamically in the heated arcade part and move gradually downwards due to interchange type dynamics. Unlike earlier 2.5D simulations, in this case there is no large scale prominence formation observed, but a continuous coronal rain develops which shows clear indications of Rayleigh-Taylor or interchange instability, that causes the denser plasma located above the transition region to fall down, as the system moves towards a more stable state. Linear stability analysis is used in the non-linear regime for gaining insight and giving a prediction of the system's evolution. After the plasma blobs descend through interchange, they follow the magnetic field topology more closely in the lower coronal regions, where they are guided by the magnetic dips.
A self-consistent kinetic modeling of a 1-D, bounded, plasma in ...
Indian Academy of Sciences (India)
a distribution with zero drift. However, in the frame of the drifting plasma, this injected source appears to be a drifting Maxwellian. Thus, the total energy per particle injected is СЪ2Ж. 2 + СЪ2 d. Ж. 2. Since this exceeds. Мo. Ж. 2, the R.M.S. width of the distribution increases. Thus the plasma is actually heated by the source.
DEFF Research Database (Denmark)
Shim, Irene; Pelino, Mario; Gingerich, Karl A.
1992-01-01
In the present work we present results of all electron ab initio multiconfiguration self-consistent-field calculations of eight electronic states of the molecule YC. Also reported are the calculated spectroscopic constants. The predicted electronic ground state is 4PI, but this state is found to ...... in the dissociation energy D0-degrees = 414.2 +/- 14 kJ mol-1 for YC(g), and a standard heat of formation DELTAH(f,298.15)-degrees = 708.1 +/- 16 kJ mol-1.......In the present work we present results of all electron ab initio multiconfiguration self-consistent-field calculations of eight electronic states of the molecule YC. Also reported are the calculated spectroscopic constants. The predicted electronic ground state is 4PI, but this state is found...... to be separated from a 2PI state by only 225 cm-1, and by 1393 cm-1 from a 2SIGMA+ state. The chemical bond in the 4PI ground state is mainly due to the formation of a bonding molecular orbital composed of the 4dpi of Y and the 2ppi on C. The 5s electrons of Y are partly transferred to the 2psigma orbital on C...
The exact solution of self-consistent equations in the scanning near-field optic microscopy problem
DEFF Research Database (Denmark)
Lozovski, Valeri; Bozhevolnyi, Sergey I.
1999-01-01
The macroscopic approach that allows one to obtain an exact solution of the self-consistent equation of the Lippmann-Schwinger type is developed. The main idea of our method consist in usage of diagram technque for exact summation of the infinite series corresponding to the iteration procedure fo...
Postmus, B.R.; Leermakers, F.A.M.; Cohen Stuart, M.A.
2008-01-01
We have constructed a model to predict the properties of non-ionic (alkyl-ethylene oxide) (C(n)E(m)) surfactants, both in aqueous solutions and near a silica surface, based upon the self-consistent field theory using the Scheutjens-Fleer discretisation scheme. The system has the pH and the ionic
Ge, Hao; Qian, Hong
2013-06-01
Nonequilibrium thermodynamics of a system situated in a sustained environment with influx and efflux is usually treated as a subsystem in a larger, closed "universe." A question remains with regard to what the minimally required description for the surrounding of such an open driven system is so that its nonequilibrium thermodynamics can be established solely based on the internal stochastic kinetics. We provide a solution to this problem using insights from studies of molecular motors in a chemical nonequilibrium steady state (NESS) with sustained external drive through a regenerating system or in a quasisteady state (QSS) with an excess amount of adenosine triphosphate (ATP), adenosine diphosphate (ADP), and inorganic phosphate (Pi). We introduce the key notion of minimal work that is needed, W(min), for the external regenerating system to sustain a NESS (e.g., maintaining constant concentrations of ATP, ADP and Pi for a molecular motor). Using a Markov (master-equation) description of a motor protein, we illustrate that the NESS and QSS have identical kinetics as well as the second law in terms of the same positive entropy production rate. The heat dissipation of a NESS without mechanical output is exactly the W(min). This provides a justification for introducing an ideal external regenerating system and yields a free-energy balance equation between the net free-energy input F(in) and total dissipation F(dis) in an NESS: F(in) consists of chemical input minus mechanical output; F(dis) consists of dissipative heat, i.e. the amount of useful energy becoming heat, which also equals the NESS entropy production. Furthermore, we show that for nonstationary systems, the F(dis) and F(in) correspond to the entropy production rate and housekeeping heat in stochastic thermodynamics and identify a relative entropy H as a generalized free energy. We reach a new formulation of Markovian nonequilibrium thermodynamics based on only the internal kinetic equation without further
Association of solar coronal loops to photospheric magnetic field
Pradeep Chitta, Lakshmi; Peter, Hardi; Solanki, Sami
2017-08-01
Magnetic connectivity and its evolution from the solar photosphere to the corona will play a crucial role in the energetics of the solar atmosphere. To explore this connectivity, we use high spatial resolution magnetic field observations of an active region from the balloon-borne SUNRISE telescope, in combination with the observations of coronal loops imaged in extreme ultraviolet by SDO/AIA. We show that photospheric magnetic field at the base of coronal loops is rapidly evolving through small-scale flux emergence and cancellation events with rates on the order of 10^15 Mx/s. When observed at high spatial resolution better than 0.5 arcsec, we find that basically all coronal loops considered so far are rooted in the photosphere above small-scale opposite polarity magnetic field patches. In the photosphere, the magnetic field threading coronal loops is interacting with opposite polarity parasitic magnetic concentrations leading to dynamic signatures in the upper atmosphere. Chromospheric small-scale jets aligned to coronal loops are observed at these locations. We will present preliminary results from 3D MHD simulations of coronal loops driven by realistic magneto-convection and discuss what role the magnetic interactions at coronal loop footpoints could play in the evolution of coronal loops and their heating.
Coronal mass ejections and coronal structures
Hildner, E.; Bassi, J.; Bougeret, J. L.; Duncan, R. A.; Gary, D. E.; Gergely, T. E.; Harrison, R. A.; Howard, R. A.; Illing, R. M. E.; Jackson, B. V.
1986-01-01
Research on coronal mass ejections (CMF) took a variety of forms, both observational and theoretical. On the observational side there were: case studies of individual events, in which it was attempted to provide the most complete descriptions possible, using correlative observations in diverse wavelengths; statistical studies of the properties CMEs and their associated activity; observations which may tell us about the initiation of mass ejections; interplanetary observations of associated shocks and energetic particles even observations of CMEs traversing interplanetary space; and the beautiful synoptic charts which show to what degree mass ejections affect the background corona and how rapidly (if at all) the corona recovers its pre-disturbance form. These efforts are described in capsule form with an emphasis on presenting pictures, graphs, and tables so that the reader can form a personal appreciation of the work and its results.
Brown, David G.; Wilson, Gordon R.; Horwitz, James L.; Gallagher, Dennis L.
1991-01-01
We describe initial results from a time-dependent, semi-kinetic model of plasma outflow incorporating wave-particle interactions along current-carrying auroral field lines. Electrostatic waves are generated by the current driven ion cyclotron instability (CDICI), causing perpendicular velocity diffusion of ions plus electron heating via anomalous resistivity when and where the relative drift between electrons and ions exceeds certain critical velocities. Using the local bulk parameters we calculate these critical velocities, and so are able to self-consistently switch on and off the heating of the various particle species. Due to the dependence of these critical velocities on the bulk parameters of the species the heating effects exhibit quite complex spatial and temporal variations. A wide range of ion distribution functions are observed in these simulations, including conics with energies of a few electron volts and 'ring' distributions. The rings are seen to be a natural result of transverse heating and velocity filter effects and do not require coherent acceleration processes. We also observe the formation of a density depletion in hydrogen and enhanced oxygen densities at high altitudes.
A self-consistent LTE model of a microwave-driven, high-pressure sulfur lamp
Energy Technology Data Exchange (ETDEWEB)
Johnston, C.W.; Mullen, J.J.A.M. van der [Department of Applied Physics, Eindhoven University of Technology (Netherlands)]. E-mails: C.W.Johnston@tue.nl; J.J.A.M.v.d.Mullen@tue.nl; Heijden, H.W.P. van der; Janssen, G.M.; Dijk, J. van [Department of Applied Physics, Eindhoven University of Technology (Netherlands)
2002-02-21
A one-dimensional LTE model of a microwave-driven sulfur lamp is presented to aid our understanding of the discharge. The energy balance of the lamp is determined by Ohmic input on one hand and transport due to conductive heat transfer and molecular radiation on the other. We discuss the origin of operational trends in the spectrum, present the model and discuss how the material properties of the plasma are determined. Not only are temperature profiles and electric field strengths simulated but also the spectrum of the lamp from 300 to 900 nm under various conditions of input power and lamp filling pressure. We show that simulated spectra demonstrate observed trends and that radiated power increases linearly with input power as is also found from experiment. (author)
Self-consistent Optomechanical Dynamics and Radiation Forces in Thermal Light Fields
International Nuclear Information System (INIS)
Sonnleitner, M.
2014-01-01
We discuss two different aspects of the mechanical interaction between neutral matter and electromagnetic radiation.The first part addresses the complex dynamics of an elastic dielectric deformed by optical forces. To do so we use a one-dimensional model describing the medium by an array of beam splitters such that the interaction with the incident waves can be described with a transfer-matrix approach. Since the force on each individual beam splitter is known we thus obtain the correct volumetric force density inside the medium. Sending a light field through an initially homogeneous dielectric then results in density modulations which in turn alter the optical properties of this medium.The second part is concerned with mechanical light-effects on atoms in thermal radiation fields. At hand of a generic setup of an atom interacting with a hot sphere emitting blackbody radiation we show that the emerging gradient force may surpass gravity by several orders of magnitude. The strength of the repulsive scattering force strongly depends on the spectrum of the involved atoms and can be neglected in some setups. A special emphasis lies on possible implications on astrophysical scenarios where the interactions between heated dust and atoms, molecules or nanoparticles are of crucial interest. (author) [de
Solar wind heavy ions from energetic coronal events
International Nuclear Information System (INIS)
Bame, S.J.
1978-01-01
Ions heavier than those of He can be resolved in the solar wind with electrostatic E/q analyzers when the local thermal temperatures are low. Ordinarily this condition prevails in the low speed solar wind found between high speed streams, i.e. the interstream, IS, solar wind. Various ions of O, Si and Fe are resolved in IS heavy ion spectra. Relative ion peak intensities indicate that the O ionization state is established in the IS coronal source regions at approx. 2.1 x 10 6 K while the state of Fe is frozen in at approx. 1.5 x 10 6 K farther out. Occasionally, anomalous spectra are observed in which the usually third most prominent ion peak, O 8+ , is depressed as are the Fe peaks ranging from Fe 12+ to Fe 7+ . A prominent peak in the usual Si 8+ position of IS spectra is self-consistently shown to be Fe 16+ . These features demonstrate that the ionization states were frozen in at higher than usual coronal temperatures. The source regions of these hot heavy ion spectra are identified as energetic coronal events including flares and nonflare coronal mass ejections. 24 references
Energy Technology Data Exchange (ETDEWEB)
Jin, M. [Lockheed Martin Solar and Astrophysics Lab, Palo Alto, CA 94304 (United States); Manchester, W. B.; Holst, B. van der; Sokolov, I.; Tóth, G.; Gombosi, T. I. [Climate and Space Sciences and Engineering, University of Michigan, Ann Arbor, MI 48109 (United States); Vourlidas, A. [The Johns Hopkins University Applied Physics Laboratory, Laurel, MD 20723 (United States); Koning, C. A. de, E-mail: jinmeng@lmsal.com, E-mail: chipm@umich.edu, E-mail: angelos.vourlidas@jhuapl.edu, E-mail: curt.a.dekoning@noaa.gov [Cooperative Institute for Research in Environmental Sciences, University of Colorado, Boulder, CO 80309 (United States)
2017-01-10
We perform and analyze the results of a global magnetohydrodynamic simulation of the fast coronal mass ejection (CME) that occurred on 2011 March 7. The simulation is made using the newly developed Alfvén Wave Solar Model (AWSoM), which describes the background solar wind starting from the upper chromosphere and extends to 24 R {sub ⊙}. Coupling AWSoM to an inner heliosphere model with the Space Weather Modeling Framework extends the total domain beyond the orbit of Earth. Physical processes included in the model are multi-species thermodynamics, electron heat conduction (both collisional and collisionless formulations), optically thin radiative cooling, and Alfvén-wave turbulence that accelerates and heats the solar wind. The Alfvén-wave description is physically self-consistent, including non-Wentzel–Kramers–Brillouin reflection and physics-based apportioning of turbulent dissipative heating to both electrons and protons. Within this model, we initiate the CME by using the Gibson-Low analytical flux rope model and follow its evolution for days, in which time it propagates beyond STEREO A . A detailed comparison study is performed using remote as well as in situ observations. Although the flux rope structure is not compared directly due to lack of relevant ejecta observation at 1 au in this event, our results show that the new model can reproduce many of the observed features near the Sun (e.g., CME-driven extreme ultraviolet [EUV] waves, deflection of the flux rope from the coronal hole, “double-front” in the white light images) and in the heliosphere (e.g., shock propagation direction, shock properties at STEREO A ).
Martinez-Veracoechea, Francisco J.
2009-11-24
Using self-consistent field theory, the Plumber\\'s Nightmare and the double diamond phases are predicted to be stable in a finite region of phase diagrams for blends of AB diblock copolymer (DBC) and A-component homopolymer. To the best of our knowledge, this is the first time that the P phase has been predicted to be stable using self-consistent field theory. The stabilization is achieved by tuning the composition or conformational asymmetry of the DBC chain, and the architecture or length of the homopolymer. The basic features of the phase diagrams are the same in all cases studied, suggesting a general type of behavior for these systems. Finally, it is noted that the homopolymer length should be a convenient variable to stabilize bicontinuous phases in experiments. © 2009 American Chemical Society.
Lin, M. C.; Verboncoeur, J.
2016-10-01
A maximum electron current transmitted through a planar diode gap is limited by space charge of electrons dwelling across the gap region, the so called space charge limited (SCL) emission. By introducing a counter-streaming ion flow to neutralize the electron charge density, the SCL emission can be dramatically raised, so electron current transmission gets enhanced. In this work, we have developed a relativistic self-consistent model for studying the enhancement of maximum transmission by a counter-streaming ion current. The maximum enhancement is found when the ion effect is saturated, as shown analytically. The solutions in non-relativistic, intermediate, and ultra-relativistic regimes are obtained and verified with 1-D particle-in-cell simulations. This self-consistent model is general and can also serve as a comparison for verification of simulation codes, as well as extension to higher dimensions.
International Nuclear Information System (INIS)
Neuffer, D.
1979-03-01
Many applications of particle acceleration, such as heavy ion fusion, require longitudinal bunching of a high intensity particle beam to extremely high particle currents with correspondingly high space charge forces. This requires a precise analysis of longitudinal motion including stability analysis. Previous papers have treated the longitudinal space charge force as strictly linear, and have not been self-consistent; that is, they have not displayed a phase space distribution consistent with this linear force so that the transport of the phase space distribution could be followed, and departures from linearity could be analyzed. This is unlike the situation for transverse phase space where the Kapchinskij--Vladimirskij (K--V) distribution can be used as the basis of an analysis of transverse motion. In this paper a self-consistent particle distribution in longitudinal phase space is derived which is a solution of the Vlasov equation and an envelope equation for this solution is derived
DEFF Research Database (Denmark)
Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.
1992-01-01
A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... electrons many correlating orbitals are required in the MCSCF reference state calculation to accurately describe the FO-NACME. FO-NACME between various states of H-2, MgH2, and BH are presented. These calculations show that the method is capable of giving quantitatively correct results that converge...
Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems
International Nuclear Information System (INIS)
Lévêque, Camille; Madsen, Lars Bojer
2017-01-01
We develop an ab initio time-dependent wavefunction based theory for the description of a many-body system of cold interacting bosons. Like the multi-configurational time-dependent Hartree method for bosons (MCTDHB), the theory is based on a configurational interaction Ansatz for the many-body wavefunction with time-dependent self-consistent-field orbitals. The theory generalizes the MCTDHB method by incorporating restrictions on the active space of the orbital excitations. The restrictions are specified based on the physical situation at hand. The equations of motion of this time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory are derived. The similarity between the formal development of the theory for bosons and fermions is discussed. The restrictions on the active space allow the theory to be evaluated under conditions where other wavefunction based methods due to exponential scaling in the numerical effort cannot, and to clearly identify the excitations that are important for an accurate description, significantly beyond the mean-field approach. For ground state calculations we find it to be important to allow a few particles to have the freedom to move in many orbitals, an insight facilitated by the flexibility of the restricted-active-space Ansatz . Moreover, we find that a high accuracy can be obtained by including only even excitations in the many-body self-consistent-field wavefunction. Time-dependent simulations of harmonically trapped bosons subject to a quenching of their noncontact interaction, show failure of the mean-field Gross-Pitaevskii approach within a fraction of a harmonic oscillation period. The TD-RASSCF theory remains accurate at much reduced computational cost compared to the MCTDHB method. Exploring the effect of changes of the restricted-active-space allows us to identify that even self-consistent-field excitations are mainly responsible for the accuracy of the method. (paper)
Kunow, H; Linker, J. A; Schwenn, R; Steiger, R
2006-01-01
It is well known that the Sun gravitationally controls the orbits of planets and minor bodies. Much less known, however, is the domain of plasma fields and charged particles in which the Sun governs a heliosphere out to a distance of about 15 billion kilometers. What forces activates the Sun to maintain this power? Coronal Mass Ejections (CMEs) and their descendants are the troops serving the Sun during high solar activity periods. This volume offers a comprehensive and integrated overview of our present knowledge and understanding of Coronal Mass Ejections (CMEs) and their descendants, Interplanetary CMEs (ICMEs). It results from a series of workshops held between 2000 and 2004. An international team of about sixty experimenters involved e.g. in the SOHO, ULYSSES, VOYAGER, PIONEER, HELIOS, WIND, IMP, and ACE missions, ground observers, and theoreticians worked jointly on interpreting the observations and developing new models for CME initiations, development, and interplanetary propagation. The book provides...
Energy Technology Data Exchange (ETDEWEB)
Kim, Ji-hoon; Wise, John H.; /KIPAC, Menlo Park /Stanford U., Phys. Dept. /Princeton U., Astrophys. Sci. Dept.; Alvarez, Marcelo A.; /Canadian Inst. Theor. Astrophys.; Abel, Tom; /KIPAC, Menlo Park /Stanford U., Phys. Dept.
2011-11-04
There is mounting evidence for the coevolution of galaxies and their embedded massive black holes (MBHs) in a hierarchical structure formation paradigm. To tackle the nonlinear processes of galaxy-MBH interaction, we describe a self-consistent numerical framework which incorporates both galaxies and MBHs. The high-resolution adaptive mesh refinement (AMR) code Enzo is modified to model the formation and feedback of molecular clouds at their characteristic scale of 15.2 pc and the accretion of gas onto an MBH. Two major channels of MBH feedback, radiative feedback (X-ray photons followed through full three-dimensional adaptive ray tracing) and mechanical feedback (bipolar jets resolved in high-resolution AMR), are employed. We investigate the coevolution of a 9.2 x 10{sup 11} M {circle_dot} galactic halo and its 10{sup 5} {circle_dot} M embedded MBH at redshift 3 in a cosmological CDM simulation. The MBH feedback heats the surrounding interstellar medium (ISM) up to 10{sup 6} K through photoionization and Compton heating and locally suppresses star formation in the galactic inner core. The feedback considerably changes the stellar distribution there. This new channel of feedback from a slowly growing MBH is particularly interesting because it is only locally dominant and does not require the heating of gas globally on the disk. The MBH also self-regulates its growth by keeping the surrounding ISM hot for an extended period of time.
Cohen, Bruce; Umansky, Maxim; Joseph, Ilon
2015-11-01
Progress is reported on including self-consistent zonal flows in simulations of drift-resistive ballooning turbulence using the BOUT + + framework. Previous published work addressed the simulation of L-mode edge turbulence in realistic single-null tokamak geometry using the BOUT three-dimensional fluid code that solves Braginskii-based fluid equations. The effects of imposed sheared ExB poloidal rotation were included, with a static radial electric field fitted to experimental data. In new work our goal is to include the self-consistent effects on the radial electric field driven by the microturbulence, which contributes to the sheared ExB poloidal rotation (zonal flow generation). We describe a model for including self-consistent zonal flows and an algorithm for maintaining underlying plasma profiles to enable the simulation of steady-state turbulence. We examine the role of Braginskii viscous forces in providing necessary dissipation when including axisymmetric perturbations. We also report on some of the numerical difficulties associated with including the axisymmetric component of the fluctuating fields. This work was performed under the auspices of the U.S. Department of Energy under contract DE-AC52-07NA27344 at the Lawrence Livermore National Laboratory (LLNL-ABS-674950).
International Nuclear Information System (INIS)
Liran, S.; Technion-Israel Inst. of Tech., Haifa. Dept. of Physics)
1977-01-01
This paper extends the recent theory of Liran, Scheefer, Scheid and Greiner on non-adiabatic cranking and nuclear collective motion. In the present work we show the self-consistency conditions for the collective motion, which are indicated by appropriate time-dependent Lagrange multipliers, can be treated explicitly. The energy conservation and the self-consistency condition in the case of one collective degree of freedom are expressed in differential form. This leads to a set of coupled differential equations in time for the many-body wave function, for the collective variable and for the Lagrange multiplier. An iteration procedure similar to that of the previous work is also presented. As an illustrative example, we investigate Brink's single-particle description of the giant-dipole resonance. In this case, the important role played by non-adiabaticity and self-consistency in determining the collective motion is demonstrated and discussed. We also consider the fact that in this example of a fast collective motion, the adiabatic cranking model of Inglis gives the correct mass parameter. (orig.) [de
Solar Coronal Jets: Observations, Theory, and Modeling
Raouafi, N. E.; Patsourakos, S.; Pariat, E.; Young, P. R.; Sterling, A.; Savcheva, A.; Shimojo, M.; Moreno-Insertis, F.; Devore, C. R.; Archontis, V.;
2016-01-01
Chromospheric and coronal jets represent important manifestations of ubiquitous solar transients, which may be the source of signicant mass and energy input to the upper solar atmosphere and the solar wind. While the energy involved in a jet-like event is smaller than that of nominal solar ares and Coronal Mass Ejections (CMEs), jets share many common properties with these major phenomena, in particular, the explosive magnetically driven dynamics. Studies of jets could, therefore, provide critical insight for understanding the larger, more complex drivers of the solar activity. On the other side of the size-spectrum, the study of jets could also supply important clues on the physics of transients closeor at the limit of the current spatial resolution such as spicules. Furthermore, jet phenomena may hint to basic process for heating the corona and accelerating the solar wind; consequently their study gives us the opportunity to attack a broadrange of solar-heliospheric problems.
Self-Consistant Numerical Modeling of E-Cloud Driven Instability of a Bunch Train in the CERN SPS
International Nuclear Information System (INIS)
Vay, J.-L.; Furman, M.A.; Secondo, R.; Venturini, M.; Fox, J.D.; Rivetta, C.H.
2010-01-01
The simulation package WARP-POSINST was recently upgraded for handling multiple bunches and modeling concurrently the electron cloud buildup and its effect on the beam, allowing for direct self-consistent simulation of bunch trains generating, and interacting with, electron clouds. We have used the WARP-POSINST package on massively parallel supercomputers to study the growth rate and frequency patterns in space-time of the electron cloud driven transverse instability for a proton bunch train in the CERN SPS accelerator. Results suggest that a positive feedback mechanism exists between the electron buildup and the e-cloud driven transverse instability, leading to a net increase in predicted electron density. Comparisons to selected experimental data are also given. Electron clouds have been shown to trigger fast growing instabilities on proton beams circulating in the SPS and other accelerators. So far, simulations of electron cloud buildup and their effects on beam dynamics have been performed separately. This is a consequence of the large computational cost of the combined calculation due to large space and time scale disparities between the two processes. We have presented the latest improvements of the simulation package WARP-POSINST for the simulation of self-consistent ecloud effects, including mesh refinement, and generation of electrons from gas ionization and impact at the pipe walls. We also presented simulations of two consecutive bunches interacting with electrons clouds in the SPS, which included generation of secondary electrons. The distribution of electrons in front of the first beam was initialized from a dump taken from a preceding buildup calculation using the POSINST code. In this paper, we present an extension of this work where one full batch of 72 bunches is simulated in the SPS, including the entire buildup calculation and the self-consistent interaction between the bunches and the electrons. Comparisons to experimental data are also given.
A new six-component super soliton hierarchy and its self-consistent sources and conservation laws
Han-yu, Wei; Tie-cheng, Xia
2016-01-01
A new six-component super soliton hierarchy is obtained based on matrix Lie super algebras. Super trace identity is used to furnish the super Hamiltonian structures for the resulting nonlinear super integrable hierarchy. After that, the self-consistent sources of the new six-component super soliton hierarchy are presented. Furthermore, we establish the infinitely many conservation laws for the integrable super soliton hierarchy. Project supported by the National Natural Science Foundation of China (Grant Nos. 11547175, 11271008 and 61072147), the First-class Discipline of University in Shanghai, China, and the Science and Technology Department of Henan Province, China (Grant No. 152300410230).
DEFF Research Database (Denmark)
Miyagi, Haruhide; Madsen, Lars Bojer
2013-01-01
We present the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory as a framework for the time-dependent many-electron problem. The theory generalizes the multiconfigurational time-dependent Hartree-Fock (MCTDHF) theory by incorporating the restricted-active-space scheme...... well known in time-independent quantum chemistry. Optimization of the orbitals as well as the expansion coefficients at each time step makes it possible to construct the wave function accurately while using only a relatively small number of electronic configurations. In numerical calculations of high...
International Nuclear Information System (INIS)
Galán, J; Verleysen, P; Lebensohn, R A
2014-01-01
A new algorithm for the solution of the deformation of a polycrystalline material using a self-consistent scheme, and its integration as part of the finite element software Abaqus/Standard are presented. The method is based on the original VPSC formulation by Lebensohn and Tomé and its integration with Abaqus/Standard by Segurado et al. The new algorithm has been implemented as a set of Fortran 90 modules, to be used either from a standalone program or from Abaqus subroutines. The new implementation yields the same results as VPSC7, but with a significantly better performance, especially when used in multicore computers. (paper)
DEFF Research Database (Denmark)
Patrick, Christopher; Thygesen, Kristian Sommer
2016-01-01
In non-self-consistent calculations of the total energy within the random-phase approximation (RPA) for electronic correlation, it is necessary to choose a single-particle Hamiltonian whose solutions are used to construct the electronic density and noninteracting response function. Here we...... in the underlying electronic structure. We further demonstrate that the non-selfconsistent RPA total energies of these materials have minima at nonzero U. Our RPA calculations find the rutile phase of TiO2 to be more stable than anatase independent of U, a result which is consistent with experiments...
Wiegelmann, Thomas; Petrie, Gordon J. D.; Riley, Pete
2017-09-01
Coronal magnetic field models use photospheric field measurements as boundary condition to model the solar corona. We review in this paper the most common model assumptions, starting from MHD-models, magnetohydrostatics, force-free and finally potential field models. Each model in this list is somewhat less complex than the previous one and makes more restrictive assumptions by neglecting physical effects. The magnetohydrostatic approach neglects time-dependent phenomena and plasma flows, the force-free approach neglects additionally the gradient of the plasma pressure and the gravity force. This leads to the assumption of a vanishing Lorentz force and electric currents are parallel (or anti-parallel) to the magnetic field lines. Finally, the potential field approach neglects also these currents. We outline the main assumptions, benefits and limitations of these models both from a theoretical (how realistic are the models?) and a practical viewpoint (which computer resources to we need?). Finally we address the important problem of noisy and inconsistent photospheric boundary conditions and the possibility of using chromospheric and coronal observations to improve the models.
International Nuclear Information System (INIS)
Phillips, Jordan J.; Zgid, Dominika
2014-01-01
We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an atomic orbital basis, where the Green's function and self-energy are built on the imaginary frequency and imaginary time domain, respectively, and fast Fourier transform is used to efficiently transform these quantities as needed. We apply this method to several archetypical examples of strong correlation, such as a H 32 finite lattice that displays a highly multireference electronic ground state even at equilibrium lattice spacing. In all cases, GF2 gives a physically meaningful description of the metal to insulator transition in these systems, without resorting to spin-symmetry breaking. Our results show that self-consistent Green's function many-body theory offers a viable route to describing strong correlations while remaining within a computationally tractable single-particle formalism
Charnay, B.; Bézard, B.; Baudino, J.-L.; Bonnefoy, M.; Boccaletti, A.; Galicher, R.
2018-02-01
We developed a simple, physical, and self-consistent cloud model for brown dwarfs and young giant exoplanets. We compared different parametrizations for the cloud particle size, by fixing either particle radii or the mixing efficiency (parameter f sed), or by estimating particle radii from simple microphysics. The cloud scheme with simple microphysics appears to be the best parametrization by successfully reproducing the observed photometry and spectra of brown dwarfs and young giant exoplanets. In particular, it reproduces the L–T transition, due to the condensation of silicate and iron clouds below the visible/near-IR photosphere. It also reproduces the reddening observed for low-gravity objects, due to an increase of cloud optical depth for low gravity. In addition, we found that the cloud greenhouse effect shifts chemical equilibrium, increasing the abundances of species stable at high temperature. This effect should significantly contribute to the strong variation of methane abundance at the L–T transition and to the methane depletion observed on young exoplanets. Finally, we predict the existence of a continuum of brown dwarfs and exoplanets for absolute J magnitude = 15–18 and J-K color = 0–3, due to the evolution of the L–T transition with gravity. This self-consistent model therefore provides a general framework to understand the effects of clouds and appears well-suited for atmospheric retrievals.
Self-consistency for low self-esteem in dissonance processes: the role of self-standards.
Stone, Jeff
2003-07-01
The self-consistency revision of cognitive dissonance theory predicts that people with low self-esteem are less likely to experience dissonance arousal compared to people with high self-esteem. Two experiments investigated how the accessibility of different self-standards in the context of a dissonant act activates the consistency role of self-esteem in the process of cognitive dissonance arousal. In Experiment I, after participants wrote a counter-attitudinal essay, priming personal self-standards caused more attitude change for those with high compared to low self-esteem, whereas priming no standards or priming normative self-standards caused the same level of attitude change among both self-esteem groups. Experiment 2 showed that the self-consistency effect for low self-esteem participants only occurred among those who were high in self-certainty when personal self-standards were primed. The importance of self-standards for understanding the role of self-esteem in dissonance processes is discussed.
Energy Technology Data Exchange (ETDEWEB)
Andrade, Maria Celia Ramos; Ludwig, Gerson Otto [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Lab. Associado de Plasma]. E-mail: mcr@plasma.inpe.br
2004-07-01
Different bootstrap current formulations are implemented in a self-consistent equilibrium calculation obtained from a direct variational technique in fixed boundary tokamak plasmas. The total plasma current profile is supposed to have contributions of the diamagnetic, Pfirsch-Schlueter, and the neoclassical Ohmic and bootstrap currents. The Ohmic component is calculated in terms of the neoclassical conductivity, compared here among different expressions, and the loop voltage determined consistently in order to give the prescribed value of the total plasma current. A comparison among several bootstrap current models for different viscosity coefficient calculations and distinct forms for the Coulomb collision operator is performed for a variety of plasma parameters of the small aspect ratio tokamak ETE (Experimento Tokamak Esferico) at the Associated Plasma Laboratory of INPE, in Brazil. We have performed this comparison for the ETE tokamak so that the differences among all the models reported here, mainly regarding plasma collisionality, can be better illustrated. The dependence of the bootstrap current ratio upon some plasma parameters in the frame of the self-consistent calculation is also analysed. We emphasize in this paper what we call the Hirshman-Sigmar/Shaing model, valid for all collisionality regimes and aspect ratios, and a fitted formulation proposed by Sauter, which has the same range of validity but is faster to compute than the previous one. The advantages or possible limitations of all these different formulations for the bootstrap current estimate are analysed throughout this work. (author)
DEFF Research Database (Denmark)
Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.
1992-01-01
A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response of a ref......A new scheme for obtaining first-order nonadiabatic coupling matrix elements (FO-NACME) for multiconfigurational self-consistent-field (MCSCF) wave functions is presented. The FO-NACME are evaluated from residues of linear response functions. The residues involve the geometrical response...... of a reference MCSCF wave function and the excitation vectors of response theory. Advantages of the method are that the reference state is fully optimized and that the excited states, represented by the excitation vectors, are strictly orthogonal to each other and to the reference state. In a single calculation...... electrons many correlating orbitals are required in the MCSCF reference state calculation to accurately describe the FO-NACME. FO-NACME between various states of H-2, MgH2, and BH are presented. These calculations show that the method is capable of giving quantitatively correct results that converge...
International Nuclear Information System (INIS)
Kutzler, F.W.; Painter, G.S.
1992-01-01
A fully self-consistent series of nonlocal (gradient) density-functional calculations has been carried out using the augmented-Gaussian-orbital method to determine the magnitude of gradient corrections to the potential-energy curves of the first-row diatomics, Li 2 through F 2 . Both the Langreth-Mehl-Hu and the Perdew-Wang gradient-density functionals were used in calculations of the binding energy, bond length, and vibrational frequency for each dimer. Comparison with results obtained in the local-spin-density approximation (LSDA) using the Vosko-Wilk-Nusair functional, and with experiment, reveals that bond lengths and vibrational frequencies are rather insensitive to details of the gradient functionals, including self-consistency effects, but the gradient corrections reduce the overbinding commonly observed in the LSDA calculations of first-row diatomics (with the exception of Li 2 , the gradient-functional binding-energy error is only 50--12 % of the LSDA error). The improved binding energies result from a large differential energy lowering, which occurs in open-shell atoms relative to the diatomics. The stabilization of the atom arises from the use of nonspherical charge and spin densities in the gradient-functional calculations. This stabilization is negligibly small in LSDA calculations performed with nonspherical densities
Coronal Mass Ejections: Observations
Directory of Open Access Journals (Sweden)
David F. Webb
2012-06-01
Full Text Available Solar eruptive phenomena embrace a variety of eruptions, including flares, solar energetic particles, and radio bursts. Since the vast majority of these are associated with the eruption, development, and evolution of coronal mass ejections (CMEs, we focus on CME observations in this review. CMEs are a key aspect of coronal and interplanetary dynamics. They inject large quantities of mass and magnetic flux into the heliosphere, causing major transient disturbances. CMEs can drive interplanetary shocks, a key source of solar energetic particles and are known to be the major contributor to severe space weather at the Earth. Studies over the past decade using the data sets from (among others the SOHO, TRACE, Wind, ACE, STEREO, and SDO spacecraft, along with ground-based instruments, have improved our knowledge of the origins and development of CMEs at the Sun and how they contribute to space weather at Earth. SOHO, launched in 1995, has provided us with almost continuous coverage of the solar corona over more than a complete solar cycle, and the heliospheric imagers SMEI (2003 – 2011 and the HIs (operating since early 2007 have provided us with the capability to image and track CMEs continually across the inner heliosphere. We review some key coronal properties of CMEs, their source regions and their propagation through the solar wind. The LASCO coronagraphs routinely observe CMEs launched along the Sun-Earth line as halo-like brightenings. STEREO also permits observing Earth-directed CMEs from three different viewpoints of increasing azimuthal separation, thereby enabling the estimation of their three-dimensional properties. These are important not only for space weather prediction purposes, but also for understanding the development and internal structure of CMEs since we view their source regions on the solar disk and can measure their in-situ characteristics along their axes. Included in our discussion of the recent developments in CME
Mechanisms of Coronal Heating S. R. Verma
Indian Academy of Sciences (India)
the photosphere. Energy released when oppositely directed magnetic fields meet in the corona is one likely cause for making the solar corona so hot. The motion of magnetic flux concentrations, along with the continual appearance and disappearance of opposite polarity pairs of fluxes releases a substantial amount.
Cheng, Tian-Le; Wen, You-Hai
2014-07-03
The electric field in the growing oxide film is important to the kinetics and mechanism of metal oxidation. However, understanding of the essential characteristics of the electric field during oxidation remains insufficient. A special-case analytical model is presented that provides a unified understanding for the electric field from the viewpoints of kinetics and thermodynamics. More general cases are studied by computer simulations that show similar characteristics in the electric field. In particular, simulations indicate that in many situations, the electrostatic potential drop across the bulk oxide is limited to ∼kBT/e, which means that the total electrostatic potential drop across the oxide film, if on the order of 1 V by rough estimation, should have contributions mostly from the electrified interfaces. Finally, regarding the Gibbs-Duhem relation, the commonly used isobaric assumption for the diffusing species is refuted. The results contained herein also provide a self-consistent understanding of Wagner's oxidation theory.
Ivanic, Joseph
2003-11-01
In order to reduce the number of ineffective configurations in a priori generated configuration spaces, a direct configuration interaction method has been developed which limits the electron occupations of orbital groups making up a total active space. A wave function is specified by first partitioning an active space into an unrestricted number of orbital groups and second by providing limiting values, in the form of minima and maxima, for the electron occupancies of each group. The configuration interaction problem corresponding to all possible determinants satisfying these conditions is solved in a fully direct manner by the use of Slater-Condon expressions in conjunction with single and double replacements. This configuration interaction approach, termed occupation restricted multiple active space-configuration interaction, has also been linked with orbital optimization programs to produce the occupation restricted multiple active space-self consistent field method.
A self-consistent model for the electronic structure of the u-center in alkali-halides
International Nuclear Information System (INIS)
Koiller, B.; Brandi, H.S.
1978-01-01
A simple one-orbital per site model Hamiltonian for the U center in alkali-halides with rock-salt structure where correlation effects are introduced via an Anderson type Hamiltonian is presented. The Cluster-Bethe lattice method is used to determine the local density of states, yielding both localized and extended states. A one-electron approximation is assumed and the problem is solved self consistently in the Hartree-Fock scheme. The optical excitation energy is in fair agreement with experiment. The present approach is compared with other models previously used to describe this center and the results indicate that is adequately incorporates the relevant features of the system indicating the possibility of its application to other physical situations [pt
International Nuclear Information System (INIS)
Kuehn, W.; Strehlow, R.; Hanke, M.
1987-01-01
Using the recently developed charge self-consistent version of the empirical tight-binding method (ETBM) in conjunction with the Koster-Slater scattering-theoretic approach the electronic properties induced by the substitutional native point defects (anion and cation antisite defect, anion and cation vacancy) in the six III-V semiconductors GaP, GaAs, GaSb, InP, InAs, and InSb are investigated. The calculations include the neutral and possible charged states of the defects. Chemical trends in the energetic position of gap states, the orbital composition, and the localization of the defect wave function are discussed and compared with other theoretical and experimental findings. (author)
Ding, Kun; Chan, C. T.
2018-04-01
The calculation of optical force density distribution inside a material is challenging at the nanoscale, where quantum and nonlocal effects emerge and macroscopic parameters such as permittivity become ill-defined. We demonstrate that the microscopic optical force density of nanoplasmonic systems can be defined and calculated using the microscopic fields generated using a self-consistent hydrodynamics model that includes quantum, nonlocal, and retardation effects. We demonstrate this technique by calculating the microscopic optical force density distributions and the optical binding force induced by external light on nanoplasmonic dimers. This approach works even in the limit when the nanoparticles are close enough to each other so that electron tunneling occurs, a regime in which classical electromagnetic approach fails completely. We discover that an uneven distribution of optical force density can lead to a light-induced spinning torque acting on individual particles. The hydrodynamics method offers us an accurate and efficient approach to study optomechanical behavior for plasmonic systems at the nanoscale.
Wieser, R
2017-05-04
A self-consistent mean field theory is introduced and used to investigate the thermodynamics and spin dynamics of an S = 1 quantum spin system with a magnetic Skyrmion. The temperature dependence of the Skyrmion profile as well as the phase diagram are calculated. In addition, the spin dynamics of a magnetic Skyrmion is described by solving the time dependent Schrödinger equation with additional damping term. The Skyrmion annihilation process driven by an electric field is used to compare the trajectories of the quantum mechanical simulation with a semi-classical description for the spin expectation values using a differential equation similar to the classical Landau-Lifshitz-Gilbert equation.
Ghaderzadeh, A.; Rahbari, S. H. Ebrahimnazhad; Phirouznia, A.
2018-03-01
In this study, Rashba coupling induced Aharonov-Casher effect in a graphene based nano ring is investigated theoretically. The graphene based nano ring is considered as a central device connected to semi-infinite graphene nano ribbons. In the presence of the Rashba spin-orbit interaction, two armchair shaped edge nano ribbons are considered as semi-infinite leads. The non-equilibrium Green's function approach is utilized to obtain the quantum transport characteristics of the system. The relaxation and dephasing mechanisms within the self-consistent Born approximation is scrutinized. The Lopez-Sancho method is also applied to obtain the self-energy of the leads. We unveil that the non-equilibrium current of the system possesses measurable Aharonov-Casher oscillations with respect to the Rashba coupling strength. In addition, we have observed the same oscillations in dilute impurity regimes in which amplitude of the oscillations is shown to be suppressed as a result of the relaxations.
Zhou, Yuzhi; Wang, Han; Liu, Yu; Gao, Xingyu; Song, Haifeng
2018-03-01
The Kerker preconditioner, based on the dielectric function of homogeneous electron gas, is designed to accelerate the self-consistent field (SCF) iteration in the density functional theory calculations. However, a question still remains regarding its applicability to the inhomogeneous systems. We develop a modified Kerker preconditioning scheme which captures the long-range screening behavior of inhomogeneous systems and thus improves the SCF convergence. The effectiveness and efficiency is shown by the tests on long-z slabs of metals, insulators, and metal-insulator contacts. For situations without a priori knowledge of the system, we design the a posteriori indicator to monitor if the preconditioner has suppressed charge sloshing during the iterations. Based on the a posteriori indicator, we demonstrate two schemes of the self-adaptive configuration for the SCF iteration.
International Nuclear Information System (INIS)
Zhang, Bo; Ye, Xianggui; Edwards, Brian J.
2013-01-01
A combination of self-consistent field theory and density functional theory was used to examine the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Both neutral and interacting particles were examined, with and without favorable/unfavorable energetic potentials between the particles and the block segments. The phase diagrams of the various systems were constructed, allowing the identification of three types of ordered mesophases composed of lamellae, hexagonally packed cylinders, and spheroids. In particular, we examined the conditions under which the mesophases could be generated wherein the tethered particles were primarily located within the interface between the two blocks of the copolymer. Key factors influencing these properties were determined to be the particle position along the diblock chain, the interaction potentials of the blocks and particles, the block copolymer composition, and molecular weight of the copolymer
Gong, Wenbin; Zhang, Wei; Wang, Chengbin; Yao, Yagang; Lu, Weibang
2017-11-01
The interlayer sliding behaviors of hexagonal boron nitride (h -BN) were investigated via a density functional theory approach with dispersion interaction included. It was found that the self-consistent screening effect (SCS) and the polarizability contractions had significant influences on London dispersion forces, which are responsible for not only the stacking modes but also for the sliding behaviors of h -BN. In consideration of the ionic characteristics of h -BN, surprisingly, the calculated dispersion force was found to dominate the electrostatic interaction along a minimum-energy sliding pathway and make a pronounced contribution (˜35 %) to the barrier during the constrained sliding. This study demonstrates that the SCS and polarizability contractions play important roles in the sliding behaviors of h -BN and that the long-range dispersion interaction should be carefully treated, even in systems with ionic characteristics.
Energy Technology Data Exchange (ETDEWEB)
Bodrog, Zoltan; Aradi, Balint [Bremen Center for Computational Materials Science, University of Bremen (Germany)
2012-02-15
Improving the precision of self-consistent-charges density-functional tight-binding method (SCC-DFTB) without losing its computational efficiency is primarily thought and hoped to be possible, if possible at all, by moving beyond its current two-centre-approximative tight-binding structure and the second-order nature of SCC. In this paper, however, we point out that there may still be possibilities of making it more precise without such an extension. Two improvements within the very second-order SCC are proposed here. First, inclusion of a multipole expansion of interacting atomic charge fluctuations, and second, a semi-empirical refinement of their interaction potential profiles and their self-interaction energies. Besides showing in detail what is to be improved with respect to the current SCC-DFTB realizations, we fully derive the respective new formulas ready to implement. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Initial Self-Consistent 3D Electron-Cloud Simulations of the LHC Beam with the Code WARP+POSINST
International Nuclear Information System (INIS)
Vay, J; Furman, M A; Cohen, R H; Friedman, A; Grote, D P
2005-01-01
We present initial results for the self-consistent beam-cloud dynamics simulations for a sample LHC beam, using a newly developed set of modeling capability based on a merge [1] of the three-dimensional parallel Particle-In-Cell (PIC) accelerator code WARP [2] and the electron-cloud code POSINST [3]. Although the storage ring model we use as a test bed to contain the beam is much simpler and shorter than the LHC, its lattice elements are realistically modeled, as is the beam and the electron cloud dynamics. The simulated mechanisms for generation and absorption of the electrons at the walls are based on previously validated models available in POSINST [3, 4
DEFF Research Database (Denmark)
Svane, Axel; Christensen, Niels Egede; Gorczyca, I.
2010-01-01
The electronic band structures of InN, GaN, and a hypothetical ordered InGaN2 compound, all in the wurtzite crystal structure, are calculated using the quasiparticle self-consistent GW approximation. This approach leads to band gaps which are significantly improved compared to gaps calculated...... on the basis of the local approximation to density functional theory, although generally overestimated by 0.2–0.3 eV in comparison with experimental gap values. Details of the electronic energies and the effective masses including their pressure dependence are compared with available experimental information....... The band gap of InGaN2 is considerably smaller than what would be expected by linear interpolation implying a significant band gap bowing in InGaN alloys....
Energy Technology Data Exchange (ETDEWEB)
Lin, Lin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division; Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Computational Research Division
2013-10-28
We discuss techniques for accelerating the self consistent field (SCF) iteration for solving the Kohn-Sham equations. These techniques are all based on constructing approximations to the inverse of the Jacobian associated with a fixed point map satisfied by the total potential. They can be viewed as preconditioners for a fixed point iteration. We point out different requirements for constructing preconditioners for insulating and metallic systems respectively, and discuss how to construct preconditioners to keep the convergence rate of the fixed point iteration independent of the size of the atomistic system. We propose a new preconditioner that can treat insulating and metallic system in a unified way. The new preconditioner, which we call an elliptic preconditioner, is constructed by solving an elliptic partial differential equation. The elliptic preconditioner is shown to be more effective in accelerating the convergence of a fixed point iteration than the existing approaches for large inhomogeneous systems at low temperature.
International Nuclear Information System (INIS)
Kotler, Z.; Neria, E.; Nitzan, A.
1991-01-01
The use of the time-dependent self-consistent field approximation (TDSCF) in the numerical solution of quantum curve crossing and tunneling dynamical problems is investigated. Particular emphasis is given to multiconfiguration TDSCF (MCTDSCF) approximations, which are shown to perform considerably better with only a small increase in computational effort. We investigate a number of simple models in which a 'system' characterized by two electronic potential surfaces evolves while interacting with a 'bath' mode described by an harmonic oscillator, and compare exact numerical solutions to one- and two-configuration TDSCF approximations. We also introduce and investigate a semiclassical approximation in which the 'bath' mode is described by semiclassical wavepackets (one for each electronic state) and show that for all models investigated this scheme works very well in comparison with the fully quantum MCTDSCF approximation. This provides a potentially very useful method to simulate strongly quantum systems coupled to an essentially classical environment. (orig.)
Self-consistent vertical transport calculations in AlxGa1-xN/GaN based resonant tunneling diode
Rached, A.; Bhouri, A.; Sakr, S.; Lazzari, J.-L.; Belmabrouk, H.
2016-03-01
The formation of two-dimensional electron gases (2DEGs) at AlxGa1-xN/GaN hexagonal double-barriers (DB) resonant tunneling diodes (RTD) is investigated by numerical self-consistent (SC) solutions of the coupled Schrödinger and Poisson equations. Spontaneous and piezoelectric effects across the material interfaces are rigorously taken into account. Conduction band profiles, band edges and corresponding envelope functions are calculated in the AlxGa1-xN/GaN structures and likened to those where no polarization effects are included. The combined effect of the polarization-induced bound charge and conduction band offsets between the hexagonal AlGaN and GaN results in the formation of 2DEGs on one side of the DB and a depletion region on the other side. Using the transfer matrix formalism, the vertical transport (J-V characteristics) in AlGaN/GaN RTDs is calculated with a fully SC calculation in the ballistic regime. Compared to standard calculations where the voltage drop along the structure is supposed to be linear, the SC method leads to strong quantitative changes in the J-V characteristics showing that the applied electric field varies significantly in the active region of the structure. The influences of the aluminum composition and the GaN(AlGaN) thickness layers on the evolution of the current characteristics are also self-consistently investigated and discussed. We show that the electrical characteristics are very sensitive to the potential barrier due to the interplay between the potential symmetry and the barrier height and width. More interestingly, we demonstrate that the figures of merit namely the peak-to-valley ratio (PVR) of GaN/AlGaN RTDs can be optimized by increasing the quantum well width.
International Nuclear Information System (INIS)
Shiles, E.; Sasaki, T.; Inokuti, M.; Smith, D.Y.
1980-01-01
An iterative, self-consistent procedure for the Kramers-Kronig analysis of data from reflectance, ellipsometric, transmission, and electron-energy-loss measurements is presented. This procedure has been developed for practical dispersion analysis since experimentally no single optical function can be readily measured over the entire range of frequencies as required by the Kramers-Kronig relations. The present technique is applied to metallic aluminum as an example. The results are then examined for internal consistency and for systematic errors by various optical sum rules. The present procedure affords a systematic means of preparing a self-consistent set of optical functions provided some optical or energy-loss data are available in all important spectral regions. The analysis of aluminum discloses that currently available data exhibit an excess oscillator strength, apparently in the vicinity of the L edge. A possible explanation is a systematic experimental error in the absorption-coefficient measurements resulting from surface layers: possibly oxides: present in thin-film transmission samples. A revised set of optical functions has been prepared by an ad hoc reduction of the reported absorption coefficient above the L edge by 14%. These revised data lead to a total oscillator strength consistent with the known electron density and are in agreement with dc-conductivity and stopping-power measurements as well as with absorption coefficients inferred from the cross sections of neighboring elements in the periodic table. The optical functions resulting from this study show evidence for both the redistribution of oscillator strength between energy levels and the effects on real transitions of the shielding of conduction electrons by virtual processes in the core states
Directory of Open Access Journals (Sweden)
J. Callies
2012-01-01
Full Text Available A simple model of the thermohaline circulation (THC is formulated, with the objective to represent explicitly the geostrophic force balance of the basinwide THC. The model comprises advective-diffusive density balances in two meridional-vertical planes located at the eastern and the western walls of a hemispheric sector basin. Boundary mixing constrains vertical motion to lateral boundary layers along these walls. Interior, along-boundary, and zonally integrated meridional flows are in thermal-wind balance. Rossby waves and the absence of interior mixing render isopycnals zonally flat except near the western boundary, constraining meridional flow to the western boundary layer. The model is forced by a prescribed meridional surface density profile.
This two-plane model reproduces both steady-state density and steady-state THC structures of a primitive-equation model. The solution shows narrow deep sinking at the eastern high latitudes, distributed upwelling at both boundaries, and a western boundary current with poleward surface and equatorward deep flow. The overturning strength has a 2/3-power-law dependence on vertical diffusivity and a 1/3-power-law dependence on the imposed meridional surface density difference. Convective mixing plays an essential role in the two-plane model, ensuring that deep sinking is located at high latitudes. This role of convective mixing is consistent with that in three-dimensional models and marks a sharp contrast with previous two-dimensional models.
Overall, the two-plane model reproduces crucial features of the THC as simulated in simple-geometry three-dimensional models. At the same time, the model self-consistently makes quantitative a conceptual picture of the three-dimensional THC that hitherto has been expressed either purely qualitatively or not self-consistently.
Dummer, Benjamin; Wieland, Stefan; Lindner, Benjamin
2014-01-01
A major source of random variability in cortical networks is the quasi-random arrival of presynaptic action potentials from many other cells. In network studies as well as in the study of the response properties of single cells embedded in a network, synaptic background input is often approximated by Poissonian spike trains. However, the output statistics of the cells is in most cases far from being Poisson. This is inconsistent with the assumption of similar spike-train statistics for pre- and postsynaptic cells in a recurrent network. Here we tackle this problem for the popular class of integrate-and-fire neurons and study a self-consistent statistics of input and output spectra of neural spike trains. Instead of actually using a large network, we use an iterative scheme, in which we simulate a single neuron over several generations. In each of these generations, the neuron is stimulated with surrogate stochastic input that has a similar statistics as the output of the previous generation. For the surrogate input, we employ two distinct approximations: (i) a superposition of renewal spike trains with the same interspike interval density as observed in the previous generation and (ii) a Gaussian current with a power spectrum proportional to that observed in the previous generation. For input parameters that correspond to balanced input in the network, both the renewal and the Gaussian iteration procedure converge quickly and yield comparable results for the self-consistent spike-train power spectrum. We compare our results to large-scale simulations of a random sparsely connected network of leaky integrate-and-fire neurons (Brunel, 2000) and show that in the asynchronous regime close to a state of balanced synaptic input from the network, our iterative schemes provide an excellent approximations to the autocorrelation of spike trains in the recurrent network.
An overview of coronal seismology.
De Moortel, I
2005-12-15
The idea of exploiting observed oscillations as a diagnostic tool for determining the physical conditions of the coronal plasma was first suggested several decades ago (Roberts et al. 1984 Astrophys. J. 279, 857). Until recently, the application of this idea has been very limited by a lack of high-quality observations of coronal oscillations. However, during the last few years, this situation has changed dramatically, especially due to space-based observations by the Solar and Heliospheric Observatory and the Transition Region and Coronal Explorer and waves and oscillations have now been observed in a wide variety of solar structures, such as coronal loops, polar plumes and prominences. This paper will briefly summarize MHD wave theory, which forms the basis for coronal seismology, as well as present an overview of the variety of recently observed waves and oscillations in the solar corona. The present state of coronal seismology will also be discussed. Currently, the uncertainty associated with the obtained parameters is still considerable and, hence, the results require a cautious interpretation. However, these examples do show that coronal seismology is rapidly being transformed from a theoretical possibility to a viable technique.
International Nuclear Information System (INIS)
von Barth, U.; Holm, B.
1996-01-01
With the aim of properly understanding the basis for and the utility of many-body perturbation theory as applied to extended metallic systems, we have calculated the electronic self-energy of the homogeneous electron gas within the GW approximation. The calculation has been carried out in a self-consistent way; i.e., the one-electron Green function obtained from Dyson close-quote s equation is the same as that used to calculate the self-energy. The self-consistency is restricted in the sense that the screened interaction W is kept fixed and equal to that of the random-phase approximation for the gas. We have found that the final results are marginally affected by the broadening of the quasiparticles, and that their self-consistent energies are still close to their free-electron counterparts as they are in non-self-consistent calculations. The reduction in strength of the quasiparticles and the development of satellite structure (plasmons) gives, however, a markedly smaller dynamical self-energy leading to, e.g., a smaller reduction in the quasiparticle strength as compared to non-self-consistent results. The relatively bad description of plasmon structure within the non-self-consistent GW approximation is marginally improved. A first attempt at including W in the self-consistency cycle leads to an even broader and structureless satellite spectrum in disagreement with experiment. copyright 1996 The American Physical Society
Coronal seismology waves and oscillations in stellar coronae
Stepanov, Alexander; Nakariakov, Valery M
2012-01-01
This concise and systematic account of the current state of this new branch of astrophysics presents the theoretical foundations of plasma astrophysics, magneto-hydrodynamics and coronal magnetic structures, taking into account the full range of available observation techniques -- from radio to gamma. The book discusses stellar loops during flare energy releases, MHD waves and oscillations, plasma instabilities and heating and charged particle acceleration. Current trends and developments in MHD seismology of solar and stellar coronal plasma systems are also covered, while recent p
Directory of Open Access Journals (Sweden)
Giannina Poletto
2015-12-01
Full Text Available Polar plumes are thin long ray-like structures that project beyond the limb of the Sun polar regions, maintaining their identity over distances of several solar radii. Plumes have been first observed in white-light (WL images of the Sun, but, with the advent of the space era, they have been identified also in X-ray and UV wavelengths (XUV and, possibly, even in in situ data. This review traces the history of plumes, from the time they have been first imaged, to the complex means by which nowadays we attempt to reconstruct their 3-D structure. Spectroscopic techniques allowed us also to infer the physical parameters of plumes and estimate their electron and kinetic temperatures and their densities. However, perhaps the most interesting problem we need to solve is the role they cover in the solar wind origin and acceleration: Does the solar wind emanate from plumes or from the ambient coronal hole wherein they are embedded? Do plumes have a role in solar wind acceleration and mass loading? Answers to these questions are still somewhat ambiguous and theoretical modeling does not provide definite answers either. Recent data, with an unprecedented high spatial and temporal resolution, provide new information on the fine structure of plumes, their temporal evolution and relationship with other transient phenomena that may shed further light on these elusive features.
Self-Consistent MUSIC: An approach to the localization of true brain interactions from EEG/MEG data.
Shahbazi, Forooz; Ewald, Arne; Nolte, Guido
2015-05-15
MUltiple SIgnal Classification (MUSIC) is a standard localization method which is based on the idea of dividing the vector space of the data into two subspaces: signal subspace and noise subspace. The brain, divided into several grid points, is scanned entirely and the grid point with the maximum consistency with the signal subspace is considered as the source location. In one of the MUSIC variants called Recursively Applied and Projected MUSIC (RAP-MUSIC), multiple iterations are proposed in order to decrease the location estimation uncertainties introduced by subspace estimation errors. In this paper, we suggest a new method called Self-Consistent MUSIC (SC-MUSIC) which extends RAP-MUSIC to a self-consistent algorithm. This method, SC-MUSIC, is based on the idea that the presence of several sources has a bias on the localization of each source. This bias can be reduced by projecting out all other sources mutually rather than iteratively. While the new method is applicable in all situations when MUSIC is applicable we will study here the localization of interacting sources using the imaginary part of the cross-spectrum due to the robustness of this measure to the artifacts of volume conduction. For an odd number of sources this matrix is rank deficient similar to covariance matrices of fully correlated sources. In such cases MUSIC and RAP-MUSIC fail completely while the new method accurately localizes all sources. We present results of the method using simulations of odd and even number of interacting sources in the presence of different noise levels. We compare the method with three other source localization methods: RAP-MUSIC, dipole fit and MOCA (combined with minimum norm estimate) through simulations. SC-MUSIC shows substantial improvement in the localization accuracy compared to these methods. We also show results for real MEG data of a single subject in the resting state. Four sources are localized in the sensorimotor area at f=11Hz which is the expected
International Nuclear Information System (INIS)
Kawashima, Masatoshi; Arie, Kazuo; Araki, Yoshio; Sato, Mitsuyoshi; Mori, Kenji; Nakayama, Yoshiyuki; Nakazono, Ryuichi; Kuroda, Yuji; Ishiguma, Kazuo; Fujii-e, Yoichi
2008-01-01
A sustainable nuclear energy system was developed based on the concept of Self-Consistent Nuclear Energy System (SCNES). Our study that trans-uranium (TRU) metallic fuel fast reactor cycle coupled with recycling of five long-lived fission products (LLFP) as well as actinides is the most promising system for the sustainable nuclear utilization. Efficient utilization of uranium-238 through the SCNES concept opens the doors to prolong the lifetime of nuclear energy systems towards several tens of thousand years. Recent evolution of the concept revealed compatibility of fuel sustainability, minor actinide (MA) minimization and non-proliferation aspects for peaceful use of nuclear energy systems through the discussion. As for those TRU compositions stabilized under fast neutron spectra, plutonium isotope fractions are remained in the range of reactor grade classification with high fraction of Pu240 isotope. Recent evolution of the SCNES concept has revealed that TRU recycling can cope with enhancing non-proliferation efforts in peaceful use with the 'no-blanket and multi-zoning core' concept. Therefore, the realization of SCNES is most important. In addition, along the process to the goals, a three-step approach is proposed to solve concurrent problems raised in the LWR systems. We discussed possible roles and contribution to the near future demand along worldwide expansion of LWR capacities by applying the 1st generation SCNES. MA fractions in TRU are more than 10% from LWR discharged fuels and even higher up to 20% in fuels from long interim storages. TRU recycling in the 1st generation SCNES system can reduce the MA fractions down to 4-5% in a few decades. This capability significantly releases 'MA' pressures in down-stream of LWR systems. Current efforts for enhancing capabilities for energy generation by LWR systems are efficient against the global warming crisis. In parallel to those movements, early realization of the SCNES concept can be the most viable decision
Directory of Open Access Journals (Sweden)
D. Gambacurta
2018-02-01
Full Text Available The second random–phase–approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random–phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.
Tremmel, M.; Governato, F.; Volonteri, M.; Quinn, T. R.; Pontzen, A.
2018-04-01
We present the first self-consistent prediction for the distribution of formation time-scales for close supermassive black hole (SMBH) pairs following galaxy mergers. Using ROMULUS25, the first large-scale cosmological simulation to accurately track the orbital evolution of SMBHs within their host galaxies down to sub-kpc scales, we predict an average formation rate density of close SMBH pairs of 0.013 cMpc-3 Gyr-1. We find that it is relatively rare for galaxy mergers to result in the formation of close SMBH pairs with sub-kpc separation and those that do form are often the result of Gyr of orbital evolution following the galaxy merger. The likelihood and time-scale to form a close SMBH pair depends strongly on the mass ratio of the merging galaxies, as well as the presence of dense stellar cores. Low stellar mass ratio mergers with galaxies that lack a dense stellar core are more likely to become tidally disrupted and deposit their SMBH at large radii without any stellar core to aid in their orbital decay, resulting in a population of long-lived `wandering' SMBHs. Conversely, SMBHs in galaxies that remain embedded within a stellar core form close pairs in much shorter time-scales on average. This time-scale is a crucial, though often ignored or very simplified, ingredient to models predicting SMBH mergers rates and the connection between SMBH and star formation activity.
Energy Technology Data Exchange (ETDEWEB)
Chen, Zhaoquan, E-mail: zqchen@aust.edu.cn [Faculty of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation); College of Electrical and Information Engineering, Anhui University of Science and Technology, Huainan, Anhui 232001 (China); Yin, Zhixiang, E-mail: zxyin66@163.com; Chen, Minggong; Hong, Lingli; Hu, Yelin; Huang, Yourui [College of Electrical and Information Engineering, Anhui University of Science and Technology, Huainan, Anhui 232001 (China); Xia, Guangqing; Liu, Minghai [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); Kudryavtsev, A. A. [Faculty of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation)
2014-10-21
In present study, a pulsed lower-power microwave-driven atmospheric-pressure argon plasma jet has been introduced with the type of coaxial transmission line resonator. The plasma jet plume is with room air temperature, even can be directly touched by human body without any hot harm. In order to study ionization process of the proposed plasma jet, a self-consistent hybrid fluid model is constructed in which Maxwell's equations are solved numerically by finite-difference time-domain method and a fluid model is used to study the characteristics of argon plasma evolution. With a Guass type input power function, the spatio-temporal distributions of the electron density, the electron temperature, the electric field, and the absorbed power density have been simulated, respectively. The simulation results suggest that the peak values of the electron temperature and the electric field are synchronous with the input pulsed microwave power but the maximum quantities of the electron density and the absorbed power density are lagged to the microwave power excitation. In addition, the pulsed plasma jet excited by the local enhanced electric field of surface plasmon polaritons should be the discharge mechanism of the proposed plasma jet.
Anguiano, M.; Lallena, A. M.; Co', G.; De Donno, V.
2014-02-01
In this work we test the validity of a Hartree-Fock plus Bardeen-Cooper-Schrieffer model in which a finite-range interaction is used in the two steps of the calculation by comparing the results obtained to those found in fully self-consistent Hartree-Fock-Bogoliubov calculations using the same interaction. Specifically, we consider the Gogny-type D1S and D1M forces. We study a wide range of spherical nuclei, far from the stability line, in various regions of the nuclear chart, from oxygen to tin isotopes. We calculate various quantities related to the ground state properties of these nuclei, such as binding energies, radii, charge and density distributions, and elastic electron scattering cross sections. The pairing effects are studied by direct comparison with the Hartree-Fock results. Despite its relative simplicity, in most cases, our model provides results very close to those of the Hartree-Fock-Bogoliubov calculations, and it reproduces the empirical evidence of pairing effects rather well in the nuclei investigated.
Study of self-consistent particle flows in a plasma blob with particle-in-cell simulations
Energy Technology Data Exchange (ETDEWEB)
Hasegawa, Hiroki, E-mail: hasegawa.hiroki@nifs.ac.jp; Ishiguro, Seiji [Department of Helical Plasma Research, National Institute for Fusion Science, Toki 509-5292 (Japan); Department of Fusion Science, SOKENDAI (The Graduate University for Advanced Studies), Toki 509-5292 (Japan)
2015-10-15
The self-consistent particle flows in a filamentary coherent structure along the magnetic field line in scrape-off layer (SOL) plasma (plasma blob) have been investigated by means of a three-dimensional electrostatic particle-in-cell simulation code. The presence of the spiral current system composed of the diamagnetic and parallel currents in a blob is confirmed by the particle simulation without any assumed sheath boundary models. Furthermore, the observation of the electron and ion parallel velocity distributions in a blob shows that those distributions are far from Maxwellian due to modification with the sheath formation and that the electron temperature on the higher potential side in a blob is higher than that on the lower potential side. Also, it is found that the ions on the higher potential side are accelerated more intensively along the magnetic field line than those on the lower potential side near the edge. This study indicates that particle simulations are able to provide an exact current closure to analysis of blob dynamics and will bring more accurate prediction of plasma transport in the SOL without any empirical assumptions.
International Nuclear Information System (INIS)
Schmidt, Juergen M.; Bluemel, Markus; Loehr, Frank; Rueterjans, Heinz
1999-01-01
The concept of self-consistent J coupling evaluation exploits redundant structure information inherent in large sets of 3J coupling constants. Application to the protein Desulfovibrio vulgaris flavodoxin demonstrates the simultaneous refinement of torsion-angle values and related Karplus coefficients. The experimental basis includes quantitative coupling constants related to the polypeptide backbone φ torsion originating from a variety of heteronuclear 2D and 3D NMR correlation experiments, totalling 124 3J(HN,Hα), 129 3J(HN,C'), 121 3J(HN,Cβ), 128 3J(C'i-1,Hαi), 121 3J(C'i-1,C'i), and 122 3J(C'i-1,Cβi). Without prior knowledge from either X-ray crystallography or NMR data, such as NOE distance constraints, accurate φ dihedral angles are specified for 122 non-glycine and non-proline residues out of a total of 147 amino acids. Different models of molecular internal mobility are considered. The Karplus coefficients obtained are applicable to the conformational analysis of φ torsions in other polypeptides
Directory of Open Access Journals (Sweden)
Ying Jiang
2017-02-01
Full Text Available This paper presents a theoretical formalism for describing systems of semiflexible polymers, which can have density variations due to finite compressibility and exhibit an isotropic-nematic transition. The molecular architecture of the semiflexible polymers is described by a continuum wormlike-chain model. The non-bonded interactions are described through a functional of two collective variables, the local density and local segmental orientation tensor. In particular, the functional depends quadratically on local density-variations and includes a Maier–Saupe-type term to deal with the orientational ordering. The specified density-dependence stems from a free energy expansion, where the free energy of an isotropic and homogeneous homopolymer melt at some fixed density serves as a reference state. Using this framework, a self-consistent field theory is developed, which produces a Helmholtz free energy that can be used for the calculation of the thermodynamics of the system. The thermodynamic properties are analysed as functions of the compressibility of the model, for values of the compressibility realizable in mesoscopic simulations with soft interactions and in actual polymeric materials.
International Nuclear Information System (INIS)
Savonije, G.J.; Takens, R.J.
1976-01-01
A generalization of the Henyey-scheme is given that introduces the mass of the convective core and the density at the outer edge of the convective core boundary as unknowns which have to be solved simultaneously with the other unknowns. As a result, this boundary is determined in a physically self-consistent way for expanding as well as contracting cores, i.e. during the Henyey iterative cycle; its position becomes consistent with the overall physical structure of the star, including the run of the chemical abundances throughout the star. Using this scheme, the evolution of helium stars was followed up to carbon ignition for a number of stellar masses. As compared with some earlier investigations, the calculations show a rather large increase in mass of the convective cores during core helium burning. Evolutionary calculations for a 2M(sun) helium star show that the critical mass for which a helium star ignites carbon non-degenerately lies near 2M(sun). (orig.) [de
Energy Technology Data Exchange (ETDEWEB)
Batista, Enrique R [Los Alamos National Laboratory; Sproviero, Eduardo M [YALE UNIV; Newcomer, Michael [YALE UNIV; Gascon, Jose A [YALE UNIV; Batista, Victor S [YALE UNIV
2008-01-01
The combination of quantum mechanics and molecular mechanics (QM/MM) is one of the most promising approaches to study the structure, function, and properties of proteins and nucleic acids. However, there some instances in which the limitations of either the MM (lack of a proper electronic description) or QM (limited to a few number of atoms) methods prevent a proper description of the system. To address this issue, we review here our approach to fine-tune the structure of biological systems using post-QM/MM refinements. These protocols are based on spectroscopy data, and/or partitioning of the system to extend the QM description to a larger region of a protein. We illustrate these methodologies through applications to several biomolecules, which were pre-optimized at the QM/MM level and then further refined using postQM/MM refinement methodologies: mod(QM/MM), which refines the atomic charges of the residues included in the MM region accounting for polarization effects; mod(QM/MM)-opt that partition the MM region in smaller parts and optimizes each part in an iterative. self-consistent way, and the Polarized-Extended X-Ray Absorption Fine Structure (P-EXAFS) fitting procedure, which fine-tune the atomic coordinates to reproduce experimental polarized EXAFS spectra. The first two techniques were applied to the guanine quadruplex. while the P-EXAFS refinement was applied to the oxygen evolving complex of photosystem II.
0νββ-decay nuclear matrix elements with self-consistent short-range correlations
International Nuclear Information System (INIS)
Simkovic, Fedor; Faessler, Amand; Muether, Herbert; Rodin, Vadim; Stauf, Markus
2009-01-01
A self-consistent calculation of nuclear matrix elements of the neutrinoless double-beta decays (0νββ) of 76 Ge, 82 Se, 96 Zr, 100 Mo, 116 Cd, 128 Te, 130 Te, and 136 Xe is presented in the framework of the renormalized quasiparticle random phase approximation (RQRPA) and the standard QRPA. The pairing and residual interactions as well as the two-nucleon short-range correlations are for the first time derived from the same modern realistic nucleon-nucleon potentials, namely, from the charge-dependent Bonn potential (CD-Bonn) and the Argonne V18 potential. In a comparison with the traditional approach of using the Miller-Spencer Jastrow correlations, matrix elements for the 0νββ decay are obtained that are larger in magnitude. We analyze the differences among various two-nucleon correlations including those of the unitary correlation operator method (UCOM) and quantify the uncertainties in the calculated 0νββ-decay matrix elements.
International Nuclear Information System (INIS)
Sakata, Fumihiko; Marumori, Toshio; Hashimoto, Yukio; Une, Tsutomu.
1983-05-01
The geometry of the self-consistent collective-coordinate (SCC) method formulated within the framework of the time-dependent Hartree-Fock (TDHF) theory is investigated by associating the variational parameters with a symplectic manifold (a TDHF manifold). With the use of a canonical-variables parametrization, it is shown that the TDHF equation is equivalent to the canonical equations of motion in classical mechanics in the TDHF manifold. This enables us to investigate geometrical structure of the SCC method in the language of the classical mechanics. The SCC method turns out to give a prescription how to dynamically extract a ''maximally-decoupled'' collective submanifold (hypersurface) out of the TDHF manifold, in such a way that a certain kind of trajectories corresponding to the large-amplitude collective motion under consideration can be reproduced on the hypersurface as precisely as possible. The stability of the hypersurface at each point on it is investigated, in order to see whether the hypersurface obtained by the SCC method is really an approximate integral surface in the TDHF manifold or not. (author)
The energy levels and oscillator strength of a complex atom--Au50+ in a self-consistent potential
International Nuclear Information System (INIS)
Feng Rong; Zou Yu; Fang Quanyu
1998-01-01
The effects of free electrons in a plasma on a complex atom are discussed, here the authors are interested in the target ion--Au 50+ in inertia confined fusion (ICF). The results are compared with those in the case of hydrogenic ions. Accurate numerical solutions have been obtained for Schroedinger's equation through Debye screened Hartree-Fock-Slater self-consistent potential. Solutions have been computed for 28 eigenstates, 1s through n =3D 7, l =3D 6, yielding the energy eigenvalues for a wide range of Debye screening length Λ. As in the case of hydrogenic ions, under screening, all energy levels are shifted away from their unscreened values toward the continuum, that is, the ionization limits are shifted downward. Conclusions have been made that when Λ>5a 0 , that is, in the weak screening cases, Debye screening has little effect on oscillator strength, average orbital radius, transition matrix elements, etc., of Au 50+ . For each (n,l) eigenstate, there is a finite value of screening length Λ 0 (n,l), for which the energy becomes zero. When Λ is sufficiently small, level crossing appears at high n states. Optical oscillator strength for Au 50+ has also been calculated, the results are compared with those under unscreened potential
International Nuclear Information System (INIS)
Saleh, Ahmed A.; Pereloma, Elena V.; Clausen, Bjørn; Brown, Donald W.; Tomé, Carlos N.; Gazder, Azdiar A.
2014-01-01
The evolution of lattice strains in a fully recrystallised Fe–24Mn–3Al–2Si–1Ni–0.06C TWinning Induced Plasticity (TWIP) steel subjected to uniaxial tensile loading up to a true strain of ∼35% was investigated via in-situ neutron diffraction. Typical of fcc elastic and plastic anisotropy, the {111} and {200} grain families record the lowest and highest lattice strains, respectively. Using modelling cases with and without latent hardening, the recently extended Elasto-Plastic Self-Consistent model successfully predicted the macroscopic stress–strain response, the evolution of lattice strains and the development of crystallographic texture. Compared to the isotropic hardening case, latent hardening did not have a significant effect on lattice strains and returned a relatively faster development of a stronger 〈111〉 and a weaker 〈100〉 double fibre parallel to the tensile axis. Close correspondence between the experimental lattice strains and those predicted using particular orientations embedded within a random aggregate was obtained. The result suggests that the exact orientations of the surrounding aggregate have a weak influence on the lattice strain evolution
International Nuclear Information System (INIS)
Beck, L.; Jeynes, C.; Barradas, N.P.
2008-01-01
Particle induced X-ray emission (PIXE) is now routinely used for analyzing paint layers. Various setups have been developed to investigate the elemental composition of samples or wood/canvas paintings. However, the characterisation of paint layers is difficult due to their layered structure and due to the presence of organic binders. Also, standard PIXE codes do not support the quantitation of depth profiles in the general case. Elastic backscattering (both Rutherford and non-Rutherford) is usually used in ion beam analysis to determine depth profiles. However, traditional data processing using iteration between standard PIXE codes and particle scattering simulation codes is very time consuming and does not always give satisfactory results. Using two PIXE detectors and one particle detector recording simultaneously in an external beam geometry, we have applied a global minimisation code to all three spectra to solve these depth profiles self-consistently. This data treatment was applied to various different cases of paint layers and we demonstrate that the structures can be solved unambiguously, assuming that roughness effects do not introduce ambiguity
Williams, Kristen; Hooper, Joseph
2013-03-01
Ab initio simulations are used to study the variation in geometry and magnetic structure in MnxOy (x = 3,4; y = 1,2) clusters. The groundstate wavefunctions for clusters with different magnetic coupling (ferromagnetic, ferrimagnetic and antiferromagnetic) are modeled with linear combinations of atomic orbitals (LCAOs). Self-consistent energies for different spin isomers are calculated by constraining the magnetic moments of Mn atoms constituting each basis AO. The ferrimagnetic and antiferromagnetic ground-state structures of MnxOy are 0.16-1.20 eV lower in energy than their ferromagnetic isomers. The presence of oxygen thus stabilizes low-spin isomers relative to the preferred high-spin ordering of bare Mn3 and Mn4. Each cluster has a preferred overall magnetic moment, and no evidence is seen of competing states with different spin multiplicities. However, non-degenerate isomags (clusters that possess the same spin multiplicity but different arrangements of local moments) do contribute to peak broadening observed in negative-ion photoelectron spectra. Proper accounting for all possible isomags is shown to be critical for accurate comparison with experimental spectra. Research was conducted at Naval Surface Warfare Center, Indian Head, MD and supported by the ONR NREIP program.
Energy Technology Data Exchange (ETDEWEB)
Powell, Brian [Clemson Univ., SC (United States); Kaplan, Daniel I [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Arai, Yuji [Univ. of Illinois, Urbana-Champaign, IL (United States); Becker, Udo [Univ. of Michigan, Ann Arbor, MI (United States); Ewing, Rod [Stanford Univ., CA (United States)
2016-12-29
This university lead SBR project is a collaboration lead by Dr. Brian Powell (Clemson University) with co-principal investigators Dan Kaplan (Savannah River National Laboratory), Yuji Arai (presently at the University of Illinois), Udo Becker (U of Michigan) and Rod Ewing (presently at Stanford University). Hypothesis: The underlying hypothesis of this work is that strong interactions of plutonium with mineral surfaces are due to formation of inner sphere complexes with a limited number of high-energy surface sites, which results in sorption hysteresis where Pu(IV) is the predominant sorbed oxidation state. The energetic favorability of the Pu(IV) surface complex is strongly influenced by positive sorption entropies, which are mechanistically driven by displacement of solvating water molecules from the actinide and mineral surface during sorption. Objectives: The overarching objective of this work is to examine Pu(IV) and Pu(V) sorption to pure metal (oxyhydr)oxide minerals and sediments using variable temperature batch sorption, X-ray absorption spectroscopy, electron microscopy, and quantum-mechanical and empirical-potential calculations. The data will be compiled into a self-consistent surface complexation model. The novelty of this effort lies largely in the manner the information from these measurements and calculations will be combined into a model that will be used to evaluate the thermodynamics of plutonium sorption reactions as well as predict sorption of plutonium to sediments from DOE sites using a component additivity approach.
Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems
Leveque, Camille; Madsen, Lars Bojer
2017-04-01
We have developed an ab-initio time-dependent wavefunction based theory for the description of many-body systems of bosons. The theory is based on a configurational interaction Ansatz for the many-body wavefunction with time-dependent self-consistent-field orbitals. The active space of the orbital excitations is subject to restrictions to be specified based on the physical situation at hand. The restrictions on the active space allow the theory to be evaluated under conditions where other wavefunction based methods, due to exponential scaling in the numerical efforts, cannot. The restrictions also allow us to clearly identify the excitations that are important for an accurate description, significantly beyond the mean-field approach. We first apply this theory to compute the ground-state energy of tens of trapped bosons, and second to simulate the dynamics following an instantaneous quenching of a non-contact interaction. The method provides accurate results and its computational cost is largely reduced compared with other wavefunction based many-body methods thanks to the restriction of the active orbital space. The important excitations are clearly identified and the method provides a new way to gain insight in correlation effects. This work was supported by the ERC-StG (Project No. 277767-TDMET) and the VKR center of excellence, QUSCOPE.
International Nuclear Information System (INIS)
Lutz, M.F.M.; Korpa, C.L.
2001-05-01
We evaluate the antikaon spectral density in isospin symmetric nuclear matter. The in-medium antikaon-nucleon scattering process and the antikaon propagation is treated in a self consistent and relativistic manner where a maximally scheme-independent formulation is derived by performing a partial density resummation in terms of the free-space antikaon-nucleon scattering amplitudes. The latter amplitudes are taken from a relativistic and chiral coupled-channel SU(3) approach which includes s-, p- and d-waves systematically. Particular care is taken on the proper evaluation of the in-medium mixing of the partial waves. Our analysis establishes a rich structure of the antikaon spectral function with considerable strength at small energies. At nuclear saturation density we predict attractive mass shifts for the Λ(1405), Σ(1385) and Λ(1520) of about 130 MeV, 60 MeV and 100 MeV respectively. The hyperon states are found to exhibit at the same time an increased decay width of about 150 MeV for the s-wave Λ(1405), 70 MeV for the p-wave Σ(1385) and 100 MeV for the d-wave Λ(1520) resonance. (orig.)
International Nuclear Information System (INIS)
Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S.; Shirley, Eric L.; Prendergast, David
2017-01-01
Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.
Electronic structure of PrBa2Cu3O7 within LSDA+U: Different self-consistent solutions
Directory of Open Access Journals (Sweden)
M R Mohammadizadeh
2009-08-01
Full Text Available Based on the density functional theory and using the full-potential linearized augmented-plane-waves method the electronic structure of PrBa2Cu3O7 (Pr123 system was calculated. The rotationally invariant local spin density approximation plus Hubbard parameter U was employed for Pr(4f orbitals. One self-consistent solution more stable than the previous solution, which has been proposed by Liechtenstein and Mazin (LM, was found. In contrast to the LM solution, it can explain the results of the 17O NMR spectroscopy study of nonsuperconducting Pr123 samples. This new solution favors the suggestion that the pure Pr123 samples should be intrinsically superconductor and metal similar to the other RBa2Cu3O7 (R=Y or a rare earth element samples. The imperfections cause the superconducting holes are transferred to the nonsuperconducting hole states around the high-symmetry (π/a, π/b, kz line in the Brillouin zone and so, superconductivity is suppressed in the conventional samples. It predicts that the superconducting 2pσ holes in the O2 sites of nonsuperconducting Pr123 samples should be depleted and the ones in the O3 sites should be almost unchanged .
Albaugh, Alex; Demerdash, Omar; Head-Gordon, Teresa
2015-11-01
We have adapted a hybrid extended Lagrangian self-consistent field (EL/SCF) approach, developed for time reversible Born Oppenheimer molecular dynamics for quantum electronic degrees of freedom, to the problem of classical polarization. In this context, the initial guess for the mutual induction calculation is treated by auxiliary induced dipole variables evolved via a time-reversible velocity Verlet scheme. However, we find numerical instability, which is manifested as an accumulation in the auxiliary velocity variables, that in turn results in an unacceptable increase in the number of SCF cycles to meet even loose convergence tolerances for the real induced dipoles over the course of a 1 ns trajectory of the AMOEBA14 water model. By diagnosing the numerical instability as a problem of resonances that corrupt the dynamics, we introduce a simple thermostating scheme, illustrated using Berendsen weak coupling and Nose-Hoover chain thermostats, applied to the auxiliary dipole velocities. We find that the inertial EL/SCF (iEL/SCF) method provides superior energy conservation with less stringent convergence thresholds and a correspondingly small number of SCF cycles, to reproduce all properties of the polarization model in the NVT and NVE ensembles accurately. Our iEL/SCF approach is a clear improvement over standard SCF approaches to classical mutual induction calculations and would be worth investigating for application to ab initio molecular dynamics as well.
Karimi, F.; Davoody, A. H.; Knezevic, I.
2016-05-01
We introduce a method for calculating the dielectric function of nanostructures with an arbitrary band dispersion and Bloch wave functions. The linear response of a dissipative electronic system to an external electromagnetic field is calculated by a self-consistent-field approach within a Markovian master-equation formalism (SCF-MMEF) coupled with full-wave electromagnetic equations. The SCF-MMEF accurately accounts for several concurrent scattering mechanisms. The method captures interband electron-hole-pair generation, as well as the interband and intraband electron scattering with phonons and impurities. We employ the SCF-MMEF to calculate the dielectric function, complex conductivity, and loss function for supported graphene. From the loss-function maximum, we obtain plasmon dispersion and propagation length for different substrate types [nonpolar diamondlike carbon (DLC) and polar SiO2 and hBN], impurity densities, carrier densities, and temperatures. Plasmons on the two polar substrates are suppressed below the highest surface phonon energy, while the spectrum is broad on the nonpolar DLC. Plasmon propagation lengths are comparable on polar and nonpolar substrates and are on the order of tens of nanometers, considerably shorter than previously reported. They improve with fewer impurities, at lower temperatures, and at higher carrier densities.
Gambacurta, D.; Grasso, M.; Vasseur, O.
2018-02-01
The second random-phase-approximation model corrected by a subtraction procedure designed to cure double counting, instabilities, and ultraviolet divergences, is employed for the first time to analyze the dipole strength and polarizability in 48Ca. All the terms of the residual interaction are included, leading to a fully self-consistent scheme. Results are illustrated with two Skyrme parametrizations, SGII and SLy4. Those obtained with the SGII interaction are particularly satisfactory. In this case, the low-lying strength below the neutron threshold is well reproduced and the giant dipole resonance is described in a very satisfactory way especially in its spreading and fragmentation. Spreading and fragmentation are produced in a natural way within such a theoretical model by the coupling of 1 particle-1 hole and 2 particle-2 hole configurations. Owing to this feature, we may provide for the electric polarizability as a function of the excitation energy a curve with a similar slope around the centroid energy of the giant resonance compared to the corresponding experimental results. This represents a considerable improvement with respect to previous theoretical predictions obtained with the random-phase approximation or with several ab-initio models. In such cases, the spreading width of the excitation cannot be reproduced and the polarizability as a function of the excitation energy displays a stiff increase around the predicted centroid energy of the giant resonance.
International Nuclear Information System (INIS)
Heng, Kevin; Tsai, Shang-Min; Lyons, James R.
2016-01-01
We present a self-consistent formalism for computing and understanding the atmospheric chemistry of exoplanets from the viewpoint of an astrophysicist. Starting from the first law of thermodynamics, we demonstrate that the van’t Hoff equation (which describes the equilibrium constant), Arrhenius equation (which describes the rate coefficients), and procedures associated with the Gibbs free energy (minimization, rescaling) have a common physical and mathematical origin. We address an ambiguity associated with the equilibrium constant, which is used to relate the forward and reverse rate coefficients, and restate its two definitions. By necessity, one of the equilibrium constants must be dimensionless and equate to an exponential function involving the Gibbs free energy, while the other is a ratio of rate coefficients and must therefore possess physical units. We demonstrate that the Arrhenius equation takes on a functional form that is more general than previously stated without recourse to tagging on ad hoc functional forms. Finally, we derive analytical models of chemical systems, in equilibrium, with carbon, hydrogen, and oxygen. We include acetylene and are able to reproduce several key trends, versus temperature and carbon-to-oxygen ratio, published in the literature. The rich variety of behavior that mixing ratios exhibit as a function of the carbon-to-oxygen ratio is merely the outcome of stoichiometric book-keeping and not the direct consequence of temperature or pressure variations
Pellat, Rene; Le Contel, Olivier; Roux, Alain; Perraut, Sylvaine; Hurricane, Omar; Coroniti, Ferdinand V.
We describe a new self-consistent kinetic approach of collisionless plasmas. The basic equations are obtained from a linearization of the cyclotron and bounce averaged Vlasov and Maxwell equations. In the low frequency limit the Gauss equation is shown to be equivalent to the Quasi-Neutrality Condition (QNC). First we describe the work of Hurricane et al., 1995b, who investigated the effect of stochasticity on the stability of ballooning modes. An expression for the energy principle is obtained in the stochastic case, with comparisons with the adiabatic case. Notably, we show how the non adiabaticity of ions allows to recover a MHD-like theory with a modification of the polytropic index, for waves with frequencies smaller than the bounce frequency of protons. The stochasticity of protons can be due, in the far plasma sheet (beyond 10-12 RE, RE being the Earth radius), to the development of thin Current Sheet (CS) with a curvature radius that becomes smaller than the ion Larmor radius. Conversely the near Earth plasma sheet (6-8 RE), where the curvature radius is larger, is expected to be in the adiabatic regime. We give a description of slowly evolving (quasi-static) magnetic configurations, during the formation of high altitudes CS's, for instance during substorm growth phase in the Earth magnetosphere, and tentatively during the formation of CS's in the solar corona. Thanks to the use of a simple equilibrium magnetic field, a 2D dipole, the linear electromagnetic perturbations are computed analytically as functions of a forcing electrical current. The QNC, which is valid for long perpendicular wavelength electromagnetic perturbations (kλD1 where λD is the Debye length), is developed via an expansion in the small parameter Te/Ti. To the lowest order in Te/Ti (Te/Ti->0) we find that the enforcement of the QNC implies the presence of an electrostatic potential which is constant along the field line, but varies across it. The corresponding potential electric field
Greco, Cristina; Jiang, Ying; Chen, Jeff Z Y; Kremer, Kurt; Daoulas, Kostas Ch
2016-11-14
Self Consistent Field (SCF) theory serves as an efficient tool for studying mesoscale structure and thermodynamics of polymeric liquid crystals (LC). We investigate how some of the intrinsic approximations of SCF affect the description of the thermodynamics of polymeric LC, using a coarse-grained model. Polymer nematics are represented as discrete worm-like chains (WLC) where non-bonded interactions are defined combining an isotropic repulsive and an anisotropic attractive Maier-Saupe (MS) potential. The range of the potentials, σ, controls the strength of correlations due to non-bonded interactions. Increasing σ (which can be seen as an increase of coarse-graining) while preserving the integrated strength of the potentials reduces correlations. The model is studied with particle-based Monte Carlo (MC) simulations and SCF theory which uses partial enumeration to describe discrete WLC. In MC simulations the Helmholtz free energy is calculated as a function of strength of MS interactions to obtain reference thermodynamic data. To calculate the free energy of the nematic branch with respect to the disordered melt, we employ a special thermodynamic integration (TI) scheme invoking an external field to bypass the first-order isotropic-nematic transition. Methodological aspects which have not been discussed in earlier implementations of the TI to LC are considered. Special attention is given to the rotational Goldstone mode. The free-energy landscape in MC and SCF is directly compared. For moderate σ the differences highlight the importance of local non-bonded orientation correlations between segments, which SCF neglects. Simple renormalization of parameters in SCF cannot compensate the missing correlations. Increasing σ reduces correlations and SCF reproduces well the free energy in MC simulations.
De Gregorio, G.; Knapp, F.; Lo Iudice, N.; Vesely, P.
2016-04-01
A Bogoliubov quasiparticle formulation of an equation-of-motion phonon method, suited for open-shell nuclei, is derived. Like its particle-hole version, it consists of deriving a set of equations of motions whose iterative solution generates an orthonormal basis of n -phonon states (n =0 ,1 ,2 ,... ), built of quasiparticle Tamm-Dancoff phonons, which simplifies the solution of the eigenvalue problem. The method is applied to the open-shell neutron-rich O20 for illustrative purposes. A Hartree-Fock-Bogoliubov canonical basis, derived from an intrinsic two-body optimized chiral Hamiltonian, is used to derive and solve the eigenvalue equations in a space encompassing a truncated two-phonon basis. The spurious admixtures induced by the violation of the particle number and the center-of-mass motion are eliminated to a large extent by a Gram-Schmidt orthogonalization procedure. The calculation takes into account the Pauli principle, is self-consistent, and is parameter free except for the energy cutoff used to truncate the two-phonon basis, which induces an increasing depression of the ground state through its strong coupling to the quasiparticle vacuum. Such a cutoff is fixed so as to reproduce the first 1- level. The two-phonon states are shown to enhance the level density of the low-energy spectrum, consistently with the data, and to induce a fragmentation of the E 1 strength which, while accounting for the very low E 1 transitions, is not sufficient to reproduce the experimental cross section in the intermediate energy region. This and other discrepancies suggest the need of including the three-phonon states. These are also expected to offset the action of the two phonons on the quasiparticle vacuum and, therefore, free the calculation from any parameter.
Directory of Open Access Journals (Sweden)
A. S. Candy
2018-01-01
Full Text Available The approaches taken to describe and develop spatial discretisations of the domains required for geophysical simulation models are commonly ad hoc, model- or application-specific, and under-documented. This is particularly acute for simulation models that are flexible in their use of multi-scale, anisotropic, fully unstructured meshes where a relatively large number of heterogeneous parameters are required to constrain their full description. As a consequence, it can be difficult to reproduce simulations, to ensure a provenance in model data handling and initialisation, and a challenge to conduct model intercomparisons rigorously. This paper takes a novel approach to spatial discretisation, considering it much like a numerical simulation model problem of its own. It introduces a generalised, extensible, self-documenting approach to carefully describe, and necessarily fully, the constraints over the heterogeneous parameter space that determine how a domain is spatially discretised. This additionally provides a method to accurately record these constraints, using high-level natural language based abstractions that enable full accounts of provenance, sharing, and distribution. Together with this description, a generalised consistent approach to unstructured mesh generation for geophysical models is developed that is automated, robust and repeatable, quick-to-draft, rigorously verified, and consistent with the source data throughout. This interprets the description above to execute a self-consistent spatial discretisation process, which is automatically validated to expected discrete characteristics and metrics. Library code, verification tests, and examples available in the repository at https://github.com/shingleproject/Shingle. Further details of the project presented at http://shingleproject.org.
International Nuclear Information System (INIS)
Spectral modeling of the large infrared excess in the Spitzer IRS spectra of HD 172555 suggests that there is more than 10 19 kg of submicron dust in the system. Using physical arguments and constraints from observations, we rule out the possibility of the infrared excess being created by a magma ocean planet or a circumplanetary disk or torus. We show that the infrared excess is consistent with a circumstellar debris disk or torus, located at ∼6 AU, that was created by a planetary scale hypervelocity impact. We find that radiation pressure should remove submicron dust from the debris disk in less than one year. However, the system's mid-infrared photometric flux, dominated by submicron grains, has been stable within 4% over the last 27 years, from the Infrared Astronomical Satellite (1983) to WISE (2010). Our new spectral modeling work and calculations of the radiation pressure on fine dust in HD 172555 provide a self-consistent explanation for this apparent contradiction. We also explore the unconfirmed claim that ∼10 47 molecules of SiO vapor are needed to explain an emission feature at ∼8 μm in the Spitzer IRS spectrum of HD 172555. We find that unless there are ∼10 48 atoms or 0.05 M ⊕ of atomic Si and O vapor in the system, SiO vapor should be destroyed by photo-dissociation in less than 0.2 years. We argue that a second plausible explanation for the ∼8 μm feature can be emission from solid SiO, which naturally occurs in submicron silicate ''smokes'' created by quickly condensing vaporized silicate.
Ishizuka, Ryosuke; Matubayasi, Nobuyuki
2017-11-15
A self-consistent scheme combining the molecular dynamics (MD) simulation and density functional theory (DFT) was recently proposed to incorporate the effects of the charge transfer and polarization of ions into non-poralizable force fields of ionic liquids for improved description of energetics and dynamics. The purpose of the present work is to analyze the detailed setups of the MD/DFT scheme by focusing on how the basis set, exchange-correlation (XC) functional, charge-fitting method or force field for the intramolecular and Lennard-Jones interactions affects the MD/DFT results of 1,3-dimethylimidazolium bis(trifluoromethylsulfonyl) imide ( [C1mim][NTf2]) and 1-ethyl-3-methylimidazolium glycinate ( [C2mim][Gly]). It was found that the double-zeta valence polarized or larger size of basis set is required for the convergence of the effective charge of the ion. The choice of the XC functional was further not influential as far as the generalized gradient approximation is used. The charge-fitting method and force field govern the accuracy of the MD/DFT scheme, on the other hand. We examined the charge-fitting methods of Blöchl, the iterative Hirshfeld (Hirshfeld-I), and REPEAT in combination with Lopes et al.'s force field and general AMBER force field. There is no single combination of charge fitting and force field that provides good agreements with the experiments, while the MD/DFT scheme reduces the effective charges of the ions and leads to better description of energetics and dynamics compared to the original force field with unit charges. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
Di Remigio, Roberto; Beerepoot, Maarten T P; Cornaton, Yann; Ringholm, Magnus; Steindal, Arnfinn Hykkerud; Ruud, Kenneth; Frediani, Luca
2016-12-21
The study of high-order absorption properties of molecules is a field of growing importance. Quantum-chemical studies can help design chromophores with desirable characteristics. Given that most experiments are performed in solution, it is important to devise a cost-effective strategy to include solvation effects in quantum-chemical studies of these properties. We here present an open-ended formulation of self-consistent field (SCF) response theory for a molecular solute coupled to a polarizable continuum model (PCM) description of the solvent. Our formulation relies on the open-ended, density matrix-based quasienergy formulation of SCF response theory of Thorvaldsen, et al., [J. Chem. Phys., 2008, 129, 214108] and the variational formulation of the PCM, as presented by Lipparini et al., [J. Chem. Phys., 2010, 133, 014106]. Within the PCM approach to solvation, the mutual solute-solvent polarization is represented by means of an apparent surface charge (ASC) spread over the molecular cavity defining the solute-solvent boundary. In the variational formulation, the ASC is an independent, variational degree of freedom. This allows us to formulate response theory for molecular solutes in the fixed-cavity approximation up to arbitrary order and with arbitrary perturbation operators. For electric dipole perturbations, pole and residue analyses of the response functions naturally lead to the identification of excitation energies and transition moments. We document the implementation of this approach in the Dalton program package using a recently developed open-ended response code and the PCMSolver libraries and present results for one-, two-, three-, four- and five-photon absorption processes of three small molecules in solution.
Energy Technology Data Exchange (ETDEWEB)
Johnson, B. C.; Melosh, H. J. [Department of Physics, Purdue University, 525 Northwestern Avenue, West Lafayette, IN 47907 (United States); Lisse, C. M. [JHU-APL, 11100 Johns Hopkins Road, Laurel, MD 20723 (United States); Chen, C. H. [STScI, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Wyatt, M. C. [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); Thebault, P. [LESIA, Observatoire de Paris, F-92195 Meudon Principal Cedex (France); Henning, W. G. [NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20771 (United States); Gaidos, E. [Department of Geology and Geophysics, University of Hawaii at Manoa, Honolulu, HI 96822 (United States); Elkins-Tanton, L. T. [Department of Terrestrial Magnetism, Carnegie Institution for Science, Washington, DC 20015 (United States); Bridges, J. C. [Department of Physics and Astronomy, University of Leicester, Leicester LE1 7RH (United Kingdom); Morlok, A., E-mail: johns477@purdue.edu [Department of Physical Sciences, Open University, Walton Hall, Milton Keynes MK7 6AA (United Kingdom)
2012-12-10
Spectral modeling of the large infrared excess in the Spitzer IRS spectra of HD 172555 suggests that there is more than 10{sup 19} kg of submicron dust in the system. Using physical arguments and constraints from observations, we rule out the possibility of the infrared excess being created by a magma ocean planet or a circumplanetary disk or torus. We show that the infrared excess is consistent with a circumstellar debris disk or torus, located at {approx}6 AU, that was created by a planetary scale hypervelocity impact. We find that radiation pressure should remove submicron dust from the debris disk in less than one year. However, the system's mid-infrared photometric flux, dominated by submicron grains, has been stable within 4% over the last 27 years, from the Infrared Astronomical Satellite (1983) to WISE (2010). Our new spectral modeling work and calculations of the radiation pressure on fine dust in HD 172555 provide a self-consistent explanation for this apparent contradiction. We also explore the unconfirmed claim that {approx}10{sup 47} molecules of SiO vapor are needed to explain an emission feature at {approx}8 {mu}m in the Spitzer IRS spectrum of HD 172555. We find that unless there are {approx}10{sup 48} atoms or 0.05 M{sub Circled-Plus} of atomic Si and O vapor in the system, SiO vapor should be destroyed by photo-dissociation in less than 0.2 years. We argue that a second plausible explanation for the {approx}8 {mu}m feature can be emission from solid SiO, which naturally occurs in submicron silicate ''smokes'' created by quickly condensing vaporized silicate.
Candy, Adam S.; Pietrzak, Julie D.
2018-01-01
The approaches taken to describe and develop spatial discretisations of the domains required for geophysical simulation models are commonly ad hoc, model- or application-specific, and under-documented. This is particularly acute for simulation models that are flexible in their use of multi-scale, anisotropic, fully unstructured meshes where a relatively large number of heterogeneous parameters are required to constrain their full description. As a consequence, it can be difficult to reproduce simulations, to ensure a provenance in model data handling and initialisation, and a challenge to conduct model intercomparisons rigorously. This paper takes a novel approach to spatial discretisation, considering it much like a numerical simulation model problem of its own. It introduces a generalised, extensible, self-documenting approach to carefully describe, and necessarily fully, the constraints over the heterogeneous parameter space that determine how a domain is spatially discretised. This additionally provides a method to accurately record these constraints, using high-level natural language based abstractions that enable full accounts of provenance, sharing, and distribution. Together with this description, a generalised consistent approach to unstructured mesh generation for geophysical models is developed that is automated, robust and repeatable, quick-to-draft, rigorously verified, and consistent with the source data throughout. This interprets the description above to execute a self-consistent spatial discretisation process, which is automatically validated to expected discrete characteristics and metrics. Library code, verification tests, and examples available in the repository at https://github.com/shingleproject/Shingle. Further details of the project presented at http://shingleproject.org.
Intermittent Coronal Loop Oscillations by Random Energy Releases
Mendoza-Briceño, César A.; Erdélyi, Robert
2006-09-01
High-resolution observations by the SOHO and TRACE spacecraft have confirmed the existence of coronal loop oscillations and waves. In a recent work, Mendoza-Briceño et al. studied the heating response of coronal plasma to energy pulses randomly distributed in time and space along coronal loops. In this paper we focus on the oscillatory patterns and other features, such as cool gas blobs traveling along the loop, during the evolution of spatiotemporal randomly heated flux tubes in the corona. The nature of these oscillatory patterns is investigated using wavelet analysis. Periodic features, such as wave packets, with periods of 150-220, 500-600, and 800-1000 s are found. It is also found that the periods increase with the loop length and decrease with the length of the loop segments along which the pulses are injected. On the other hand, the randomly driven intermittent cool plasma blobs that propagate from one footpoint to the other are analyzed. Although plenty of coronal loop oscillations are detected by the cohort of the current high-resolution satellites, there are more controversial observational evidences about the predicted cold plasma blobs.
A Bayesian Approach to Period Searching in Solar Coronal Loops
Energy Technology Data Exchange (ETDEWEB)
Scherrer, Bryan; McKenzie, David [Montana State University, P.O. Box 173840 Bozeman, MT 59717-3840 (United States)
2017-03-01
We have applied a Bayesian generalized Lomb–Scargle period searching algorithm to movies of coronal loop images obtained with the Hinode X-ray Telescope (XRT) to search for evidence of periodicities that would indicate resonant heating of the loops. The algorithm makes as its only assumption that there is a single sinusoidal signal within each light curve of the data. Both the amplitudes and noise are taken as free parameters. It is argued that this procedure should be used alongside Fourier and wavelet analyses to more accurately extract periodic intensity modulations in coronal loops. The data analyzed are from XRT Observation Program 129C: “MHD Wave Heating (Thin Filters),” which occurred during 2006 November 13 and focused on active region 10293, which included coronal loops. The first data set spans approximately 10 min with an average cadence of 2 s, 2″ per pixel resolution, and used the Al-mesh analysis filter. The second data set spans approximately 4 min with a 3 s average cadence, 1″ per pixel resolution, and used the Al-poly analysis filter. The final data set spans approximately 22 min at a 6 s average cadence, and used the Al-poly analysis filter. In total, 55 periods of sinusoidal coronal loop oscillations between 5.5 and 59.6 s are discussed, supporting proposals in the literature that resonant absorption of magnetic waves is a viable mechanism for depositing energy in the corona.
Observational Analysis of Coronal Fans
Talpeanu, D.-C.; Rachmeler, L; Mierla, Marilena
2017-01-01
Coronal fans (see Figure 1) are bright observational structures that extend to large distances above the solar surface and can easily be seen in EUV (174 angstrom) above the limb. They have a very long lifetime and can live up to several Carrington rotations (CR), remaining relatively stationary for many months. Note that they are not off-limb manifestation of similarly-named active region fans. The solar conditions required to create coronal fans are not well understood. The goal of this research was to find as many associations as possible of coronal fans with other solar features and to gain a better understanding of these structures. Therefore, we analyzed many fans and created an overview of their properties. We present the results of this statistical analysis and also a case study on the longest living fan.
Coronal Mass Ejections An Introduction
Howard, Timothy
2011-01-01
In times of growing technological sophistication and of our dependence on electronic technology, we are all affected by space weather. In its most extreme form, space weather can disrupt communications, damage and destroy spacecraft and power stations, and increase radiation exposure to astronauts and airline passengers. Major space weather events, called geomagnetic storms, are large disruptions in the Earth’s magnetic field brought about by the arrival of enormous magnetized plasma clouds from the Sun. Coronal mass ejections (CMEs) contain billions of tons of plasma and hurtle through space at speeds of several million miles per hour. Understanding coronal mass ejections and their impact on the Earth is of great interest to both the scientific and technological communities. This book provides an introduction to coronal mass ejections, including a history of their observation and scientific revelations, instruments and theory behind their detection and measurement, and the status quo of theories describing...
International Nuclear Information System (INIS)
Chan, C.T.; Vanderbilt, D.; Louie, S.G.; Materials and Molecular Research Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720)
1986-01-01
We present a general self-consistency procedure formulated in momentum space for electronic structure and total-energy calculations of crystalline solids. It is shown that both the charge density and the change in the Hamiltonian matrix elements in each iteration can be calculated in a straight-forward fashion once a set of overlap matrices is computed. The present formulation has the merit of bringing the self-consistency problem for different basis sets to the same footing. The scheme is used to extend a first-principles pseudopotential linear combination of Gaussian orbitals method to full point-by-point self-consistency, without refitting of potentials. It is shown that the set of overlap matrices can be calculated very efficiently if we exploit the translational and space-group symmetries of the system under consideration. This scheme has been applied to study the structural and electronic properties of Si and W, prototypical systems of very different bonding properties. The results agree well with experiment and other calculations. The fully self-consistent results are compared with those obtained by a variational procedure [J. R. Chelikowsky and S. G. Louie, Phys. Rev. B 29, 3470 (1984)]. We find that the structural properties for bulk Si and W (both systems have no interatomic charge transfer) can be treated accurately by the variational procedure. However, full self-consistency is needed for an accurate description of the band energies
International Nuclear Information System (INIS)
Robin, Caroline
2014-01-01
This thesis project takes part in the development of the multiparticle-multi-hole configuration mixing method aiming to describe the structure of atomic nuclei. Based on a double variational principle, this approach allows to determine the expansion coefficients of the wave function and the single-particle states at the same time. In this work we apply for the first time the fully self-consistent formalism of the mp-mh method to the description of a few p- and sd-shell nuclei, using the D1S Gogny interaction. A first study of the 12 C nucleus is performed in order to test the doubly iterative convergence procedure when different types of truncation criteria are applied to select the many-body configurations included in the wave-function. A detailed analysis of the effect caused by the orbital optimization is conducted. In particular, its impact on the one-body density and on the fragmentation of the ground state wave function is analyzed. A systematic study of sd-shell nuclei is then performed. A careful analysis of the correlation content of the ground state is first conducted and observables quantities such as binding and separation energies, as well as charge radii are calculated and compared to experimental data. Satisfactory results are found. Spectroscopic properties are also studied. Excitation energies of low-lying states are found in very good agreement with experiment, and the study of magnetic dipole features are also satisfactory. Calculation of electric quadrupole properties, and in particular transition probabilities B(E2), however reveal a clear lack of collectivity of the wave function, due to the reduced valence space used to select the many-body configurations. Although the renormalization of orbitals leads to an important fragmentation of the ground state wave function, only little effect is observed on B(E2) probabilities. A tentative explanation is given. Finally, the structure description of nuclei provided by the multiparticle
The nuclear N-body problem and the effective interaction in self-consistent mean-field methods
International Nuclear Information System (INIS)
Duguet, Thomas
2002-01-01
This work deals with two aspects of mean-field type methods extensively used in low-energy nuclear structure. The first study is at the mean-field level. The link between the wave-function describing an even-even nucleus and the odd-even neighbor is revisited. To get a coherent description as a function of the pairing intensity in the system, the utility of the formalization of this link through a two steps process is demonstrated. This two-steps process allows to identify the role played by different channels of the force when a nucleon is added in the system. In particular, perturbative formula evaluating the contribution of time-odd components of the functional to the nucleon separation energy are derived for zero and realistic pairing intensities. Self-consistent calculations validate the developed scheme as well as the derived perturbative formula. This first study ends up with an extended analysis of the odd-even mass staggering in nuclei. The new scheme allows to identify the contribution to this observable coming from different channels of the force. The necessity of a better understanding of time-odd terms in order to decide which odd-even mass formulae extracts the pairing gap the most properly is identified. These terms being nowadays more or less out of control, extended studies are needed to make precise the fit of a pairing force through the comparison of theoretical and experimental odd-even mass differences. The second study deals with beyond mean-field methods taking care of the correlations associated with large amplitude oscillations in nuclei. Their effects are usually incorporated through the GCM or the projected mean-field method. We derive a perturbation theory motivating such variational calculations from a diagrammatic point of view for the first time. Resuming two-body correlations in the energy expansion, we obtain an effective interaction removing the hard-core problem in the context of configuration mixing calculations. Proceeding to a
UPFLOWS IN FUNNEL-LIKE LEGS OF CORONAL MAGNETIC LOOPS
International Nuclear Information System (INIS)
Tian Hui; Marsch, Eckart; Curdt, Werner; He, Jiansen
2009-01-01
The prominent blueshifts of Ne VIII associated with the junctions of the magnetic network in the quiet Sun are still not well understood. By comparing the coronal magnetic-field structures as obtained by a potential-field reconstruction with the conspicuous blueshift patches on the Dopplergram of Ne VIII as observed in an equatorial quiet-Sun region, we find that most of the regions with significant upflow are associated with the funnel-like legs of magnetic loops and cospatial with increments of the line width. These quasi-steady upflows can be regarded as the signatures of mass supply to coronal loops. By using the square root of the line intensity as a proxy for the plasma density, the mass flux of the upflow in each funnel can be estimated. We find that the mass flux is anti-correlated with the funnel's expansion factor as determined from the extrapolated magnetic field. One of the loop systems is associated with a coronal bright point, which was observed by several instruments and exhibited various morphologies in different wavelengths and viewing directions. A remarkable agreement between its magnetic structure and the associated EUV emission pattern was found, suggesting an almost potential-field nature of the coronal magnetic field. We also report the direct detection of a small-scale siphon flow by both STEREO satellites. However, this transient siphon flow occurred in a weak mixed-polarity-field region, which was outside the adjacent magnetic funnel, and thus it is perhaps not related to plasma upflow in the funnel. Based on these observations, we suggest that at upper transition region (TR) temperatures the dominant flows in quiet-Sun coronal loops are long-lasting upflows rather than siphon flows. We also discuss the implications of our results for coronal heating and unresolved magnetic structures.
Endogenous Magnetic Reconnection in Solar Coronal Loops
Asgari-Targhi, M.; Coppi, B.; Basu, B.; Fletcher, A.; Golub, L.
2017-12-01
We propose that a magneto-thermal reconnection process occurring in coronal loops be the source of the heating of the Solar Corona [1]. In the adopted model, magnetic reconnection is associated with electron temperature gradients, anisotropic electron temperature fluctuations and plasma current density gradients [2]. The input parameters for our theoretical model are derived from the most recent observations of the Solar Corona. In addition, the relevant (endogenous) collective modes can produce high energy particle populations. An endogenous reconnection process is defined as being driven by factors internal to the region where reconnection takes place. *Sponsored in part by the U.S. D.O.E. and the Kavli Foundation* [1] Beafume, P., Coppi, B. and Golub, L., (1992) Ap. J. 393, 396. [2] Coppi, B. and Basu, B. (2017) MIT-LNS Report HEP 17/01.
Directory of Open Access Journals (Sweden)
Hongxia Wu
2016-01-01
Full Text Available Two kinds of Darboux-Bäcklund transformations (DBTs are constructed for the q-deformed Nth KdV hierarchy with self-consistent sources (q-NKdVHSCS by using the q-deformed pseudodifferential operators. Note that one of the DBTs provides a nonauto Bäcklund transformation for two q-deformed Nth KdV equations with self-consistent sources (q-NKdVESCS with different degree. In addition, the soliton solution to the first nontrivial equation of q-KdVHSCS is also obtained.
Dynamics of Coronal Hole Boundaries
International Nuclear Information System (INIS)
Higginson, A. K.; Zurbuchen, T. H.; Antiochos, S. K.; DeVore, C. R.; Wyper, P. F.
2017-01-01
Remote and in situ observations strongly imply that the slow solar wind consists of plasma from the hot, closed-field corona that is released onto open magnetic field lines. The Separatrix Web theory for the slow wind proposes that photospheric motions at the scale of supergranules are responsible for generating dynamics at coronal-hole boundaries, which result in the closed plasma release. We use three-dimensional magnetohydrodynamic simulations to determine the effect of photospheric flows on the open and closed magnetic flux of a model corona with a dipole magnetic field and an isothermal solar wind. A rotational surface motion is used to approximate photospheric supergranular driving and is applied at the boundary between the coronal hole and helmet streamer. The resulting dynamics consist primarily of prolific and efficient interchange reconnection between open and closed flux. The magnetic flux near the coronal-hole boundary experiences multiple interchange events, with some flux interchanging over 50 times in one day. Additionally, we find that the interchange reconnection occurs all along the coronal-hole boundary and even produces a lasting change in magnetic-field connectivity in regions that were not driven by the applied motions. Our results show that these dynamics should be ubiquitous in the Sun and heliosphere. We discuss the implications of our simulations for understanding the observed properties of the slow solar wind, with particular focus on the global-scale consequences of interchange reconnection.
The dynamics of coronal magnetic structures
International Nuclear Information System (INIS)
Weber, W.
1978-01-01
An analysis is made of the evolution of coronal magnetic fields due to the interaction with the solar wind. An analysis of the formation of coronal streamers, arising as a result of the stretching of bipolar fields, is given. Numerical simulations of the formation of coronal streamers are presented. Fast-mode shocks as triggers of microturbulence in the solar corona are discussed
Density and white light brightness in looplike coronal mass ejections - Temporal evolution
Steinolfson, R. S.; Hundhausen, A. J.
1988-01-01
Three ambient coronal models suitable for studies of time-dependent phenomena were used to investigate the propagation of coronal mass ejections initiated in each atmosphere by an identical energy source. These models included those of a static corona with a dipole magnetic field, developed by Dryer et al. (1979); a steady polytropic corona with an equatorial coronal streamer, developed by Steinolfson et al. (1982); and Steinolfson's (1988) model of heated corona with an equatorial coronal streamer. The results indicated that the first model does not adequately represent the general characteristics of observed looplike mass ejections, and the second model simulated only some of the observed features. Only the third model, which included a heating term and a streamer, was found to yield accurate simulation of the mess ejection observations.
Gomes, J. M.; Papaderos, P.
2017-07-01
The goal of population spectral synthesis (pss; also referred to as inverse, semi-empirical evolutionary- or fossil record approach) is to decipher from the spectrum of a galaxy the mass, age and metallicity of its constituent stellar populations. This technique, which is the reverse of but complementary to evolutionary synthesis, has been established as fundamental tool in extragalactic research. It has been extensively applied to large spectroscopic data sets, notably the SDSS, leading to important insights into the galaxy assembly history. However, despite significant improvements over the past decade, all current pss codes suffer from two major deficiencies that inhibit us from gaining sharp insights into the star-formation history (SFH) of galaxies and potentially introduce substantial biases in studies of their physical properties (e.g., stellar mass, mass-weighted stellar age and specific star formation rate). These are I) the neglect of nebular emission in spectral fits, consequently; II) the lack of a mechanism that ensures consistency between the best-fitting SFH and the observed nebular emission characteristics of a star-forming (SF) galaxy (e.g., hydrogen Balmer-line luminosities and equivalent widths-EWs, shape of the continuum in the region around the Balmer and Paschen jump). In this article, we present fado (Fitting Analysis using Differential evolution Optimization) - a conceptually novel, publicly available pss tool with the distinctive capability of permitting identification of the SFH that reproduces the observed nebular characteristics of a SF galaxy. This so-far unique self-consistency concept allows us to significantly alleviate degeneracies in current spectral synthesis, thereby opening a new avenue to the exploration of the assembly history of galaxies. The innovative character of fado is further augmented by its mathematical foundation: fado is the first pss code employing genetic differential evolution optimization. This, in conjunction
Knight, Kevin S.
2015-03-01
The thermoelastic properties of the thermoelectric chalcogenide galena, lead sulfide (PbS), have been determined in the temperature interval 10-350 K from high resolution neutron powder diffraction data, and literature values of the isobaric heat capacity. Within this temperature range, galena can be described by a simple phenomenological model in which the cation and anion vibrate independently of one another in a Debye-like manner, with vibrational Debye temperatures of 120(1) K for the lead, and 324(2) K for the sulfur. Simultaneous fitting of the unit cell volume and the isochoric heat capacity to a two-term Debye internal energy function gives characteristic temperatures of 110(2), and 326(5) K in excellent agreement with the measured vibrational Debye temperatures derived from fitting the atomic displacement parameters. The thermodynamic Grüneisen constant derived from the isochoric heat capacity is found to monotonically increase with decreasing temperature, from 2.5 at 300 K, to 3.25 at 25 K, in agreement with the deductions of earlier work. The full phonon density of states calculated from the two-term Debye model shows fair agreement with that derived from density functional theory.
On ion-cyclotron-resonance heating of the corona and solar wind
Directory of Open Access Journals (Sweden)
E. Marsch
2003-01-01
Full Text Available This paper concisely summarizes and critically reviews recent work by the authors on models of the heating of the solar corona by resonance of ions with high-frequency waves (up to the proton cyclotron frequency. The quasi-linear theory of pitch angle diffusion is presented in connection with relevant solar wind proton observations. Hybrid fluid-kinetic model equations, which include wave-particle interactions and collisions, are derived. Numerical solutions are discussed, representative of the inner corona and near-Sun solar wind. A semi-kinetic model for reduced velocity distributions is presented, yielding kinetic results for heavy ions in the solar corona. It is concluded that a self-consistent treatment of particle distributions and wave spectra is required, in order to adequately describe coronal physics and to obtain agreement with observations.
Maupin, C Mark; Aradi, Bálint; Voth, Gregory A
2010-05-27
The self-consistent charge density functional tight binding (SCC-DFTB) method is a relatively new approximate electronic structure method that is increasingly used to study biologically relevant systems in aqueous environments. There have been several gas phase cluster calculations that indicate, in some instances, an ability to predict geometries, energies, and vibrational frequencies in reasonable agreement with high level ab initio calculations. However, to date, there has been little validation of the method for bulk water properties, and no validation for the properties of the hydrated excess proton in water. Presented here is a detailed SCC-DFTB analysis of the latter two systems. This work focuses on the ability of the original SCC-DFTB method, and a modified version that includes a hydrogen bonding damping function (HBD-SCC-DFTB), to describe the structural, energetic, and dynamical nature of these aqueous systems. The SCC-DFTB and HBD-SCC-DFTB results are compared to experimental data and Car-Parrinello molecular dynamics (CPMD) simulations using the HCTH/120 gradient-corrected exchange-correlation energy functional. All simulations for these systems contained 128 water molecules, plus one additional proton in the case of the excess proton system, and were carried out in a periodic simulation box with Ewald long-range electrostatics. The liquid water structure for the original SCC-DFTB is shown to poorly reproduce bulk water properties, while the HBD-SCC-DFTB somewhat more closely represents bulk water due to an improved ability to describe hydrogen bonding energies. Both SCC-DFTB methods are found to underestimate the water dimer interaction energy, resulting in a low heat of vaporization and a significantly elevated water oxygen diffusion coefficient as compared to experiment. The addition of an excess hydrated proton to the bulk water resulted in the Zundel cation (H(5)O(2)(+)) stabilized species being the stable form of the charge defect, which
The Coronal Place; Why is It Special?
Directory of Open Access Journals (Sweden)
Azhar Alkazwini
2017-10-01
Full Text Available To prove the existence of arguments about the exact place that can bear the term ‘coronal’, it would be enough to check the explanatory dictionary’s entry. There are different arguments regarding the exact place of coronal. In this paper, some of the linguistic evidence regarding the coronal place shall be mentioned. Then, I shall discuss the classes of coronal that lend support to the fact that coronal place is believed to be special, and that is by discussing the different typologies of coronal consonants and giving their description.
Lauw, Y.; Leermakers, F.A.M.; Cohen Stuart, M.A.
2006-01-01
The micellization properties of carboxy-modified Pluronics P85 (poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO) triblock copolymers) are investigated by means of a molecularly realistic self-consistent-field theory. We consider the, so-called, carboxylic acid
International Nuclear Information System (INIS)
Kumar, V.; Mookerjee, A.; Srivastava, V.K.
1980-09-01
We have developed here a self-consistent coherent potential approximation generalized to take into account effect of clusters. Off-diagonal disorder and short-range order are taken into account. A graphical method married to the recursion technique, enables us to work on realistic three-dimensional lattices. Calculations are shown for a binary alloy on a diamond lattice. (author)
Neradilek, Moni B; Polissar, Nayak L; Einstein, Daniel R; Glenny, Robb W; Minard, Kevin R; Carson, James P; Jiao, Xiangmin; Jacob, Richard E; Cox, Timothy C; Postlethwait, Edward M; Corley, Richard A
2012-06-01
We examine a previously published branch-based approach for modeling airway diameters that is predicated on the assumption of self-consistency across all levels of the tree. We mathematically formulate this assumption, propose a method to test it and develop a more general model to be used when the assumption is violated. We discuss the effect of measurement error on the estimated models and propose methods that take account of error. The methods are illustrated on data from MRI and CT images of silicone casts of two rats, two normal monkeys, and one ozone-exposed monkey. Our results showed substantial departures from self-consistency in all five subjects. When departures from self-consistency exist, we do not recommend using the self-consistency model, even as an approximation, as we have shown that it may likely lead to an incorrect representation of the diameter geometry. The new variance model can be used instead. Measurement error has an important impact on the estimated morphometry models and needs to be addressed in the analysis. Copyright © 2012 Wiley Periodicals, Inc.
Heald, C.R.; Stolnik, S.; Matteis, De C.; Garnett, M.C.; Illum, L.; Davis, S.S.; Leermakers, F.A.M.
2003-01-01
Self-consistent field (SCF) modelling studies can be used to predict the properties of poly(lactic acid):poly(ethyleneoxide) (PLA:PEG) nanoparticles using the theory developed by Scheutjens and Fleer. Good agreement in the results between experimental and modelled data has been observed previously
International Nuclear Information System (INIS)
Leray, J.L.; Paillet, Ph.; Ferlet-Cavrois, V.; Tavernier, C.; Belhaddad, K.; Penzin, O.
1999-01-01
A new 2-D and 3-D self-consistent code has been developed and is applied to understanding the charge trapping in SOI buried oxide causing back-channel MOS leakage in SOI transistors. Clear indications on scaling trends are obtained with respect to supply voltage and oxide thickness. (authors)
Huhn, William P.; Blum, Volker
2017-08-01
We quantify the accuracy of different non-self-consistent and self-consistent spin-orbit coupling (SOC) treatments in Kohn-Sham and hybrid density functional theory by providing a band-structure benchmark set for the valence and low-lying conduction energy bands of 103 inorganic compounds, covering chemical elements up to polonium. Reference energy band structures for the PBE density functional are obtained using the full-potential (linearized) augmented plane wave code wien2k, employing its self-consistent treatment of SOC including Dirac-type p1 /2 orbitals in the basis set. We use this benchmark set to benchmark a computationally simpler, non-self-consistent all-electron treatment of SOC based on scalar-relativistic orbitals and numeric atom-centered orbital basis functions. For elements up to Z ≈50 , both treatments agree virtually exactly. For the heaviest elements considered (Tl, Pb, Bi, Po), the band-structure changes due to SOC are captured with a relative deviation of 11% or less. For different density functionals (PBE versus the hybrid HSE06), we show that the effect of spin-orbit coupling is usually similar but can be dissimilar if the qualitative features of the predicted underlying scalar-relativistic band structures do not agree. All band structures considered in this work are available online via the NOMAD repository to aid in future benchmark studies and methods development.
Ayres, T. R.; Brown, A.; Linsky, J. L.
2001-05-01
The broad coverage, high sensitivity, and precise wavelength calibration of the Space Telescope Imaging Spectrograph's medium-resolution echelle mode, coupled with the growing collection of GO and GTO E140M exposures, are ideal for surveys of specific spectral diagnostics across a diversity of stellar types, luminosities, and activity levels. Of great current interest are the weak coronal forbidden lines that appear in the far-UV, which are well known from solar flare work. Measuring coronal lines with STIS in the 1150--1700 Å band has significant advantages over using, say, Chandra HETGS or XMM-Newton RGS in the 1 keV range, because the STIS velocity resolution is 40x, or more, higher; STIS has an absolute wavelength calibration established by an onboard emission lamp; and the large effective area of the HST telescope compensates for the faintness of the forbidden lines. Here, we report a survey of Fe XXI λ 1354 in a sample of ~25 stars. The forbidden iron feature forms at a temperature of about 107 K, characteristic of very active or flaring coronal conditions. Clear detections of the coronal iron line are made in active M dwarfs (AU Mic, AD Leo), active giants (α Aur, β Cet, ι Cap, 24 UMa, HR 9024), short-period RS CVn binaries (e.g., HR 1099), and possibly in active solar-type dwarfs (ζ Dor, χ1 Ori). We describe our semi-empirical method for removing the C I blend that partially corrupts the Fe XXI profile, and our measurements of coronal line widths and Doppler shifts. Although α Aur displays clear variability between Fe XXI profiles obtained at the same orbital phase, but four years apart; the hyperactive HR 1099 system showed virtually no change in its coronal iron feature during a sequence of 14 spectra taken over a 7 hr period in 1999 September, despite the occurrence of two large flares in far-UV lines such as Si IV and C IV. This work was supported by grant GO-08280.01-97A from STScI. Observations were from the NASA/ESA HST, collected at the STSc
Lawrence, Ellen
2016-01-01
Is it possible to make heat by rubbing your hands together? Why does an ice cube melt when you hold it? In this title, students will conduct experiments to help them understand what heat is. Kids will also investigate concepts such as which materials are good at conducting heat and which are the best insulators. Using everyday items that can easily be found around the house, students will transform into scientists as they carry out step-by-step experiments to answer interesting questions. Along the way, children will pick up important scientific skills. Heat includes seven experiments with detailed, age-appropriate instructions, surprising facts and background information, a "conclusions" section to pull all the concepts in the book together, and a glossary of science words. Colorful, dynamic designs and images truly put the FUN into FUN-damental Experiments.
International Nuclear Information System (INIS)
Chang, C.S.; Miller, R.L.
1983-01-01
It has long been recognized that if an EBT-confined plasma could be maintained in the collisionless-ion regime, characterized by positive ambipolar potential and positive radial electric field, the particle loss rates could be reduced by a large factor. The extent to which the loss rate of energy could be reduced has not been as clearly determined, and has been investigated recently using a one-dimensional, time-dependent transport code developed for this purpose. We find that the energy confinement can be improved by roughly an order of magnitude by maintaining a positive radial electric field that increases monotonically with radius, giving a large ExB drift near the outer edge of the core plasma. The radial profiles of heat deposition required to sustain these equilibria will be presented, and scenarios for obtaining dynamical access to the equilibria will be discussed
Polarization of Coronal Forbidden Lines
Energy Technology Data Exchange (ETDEWEB)
Li, Hao; Qu, Zhongquan [Yunnan Observatories, Chinese Academy of Sciences, Kunming, Yunnan 650011 (China); Landi Degl’Innocenti, Egidio, E-mail: sayahoro@ynao.ac.cn [Dipartimento di Astronomia e Scienza dello Spazio, Università di Firenze, Largo E. Fermi 2, I-50125 Firenze (Italy)
2017-03-20
Since the magnetic field is responsible for most manifestations of solar activity, one of the most challenging problems in solar physics is the diagnostics of solar magnetic fields, particularly in the outer atmosphere. To this end, it is important to develop rigorous diagnostic tools to interpret polarimetric observations in suitable spectral lines. This paper is devoted to analyzing the diagnostic content of linear polarization imaging observations in coronal forbidden lines. Although this technique is restricted to off-limb observations, it represents a significant tool to diagnose the magnetic field structure in the solar corona, where the magnetic field is intrinsically weak and still poorly known. We adopt the quantum theory of polarized line formation developed in the framework of the density matrix formalism, and synthesize images of the emergent linear polarization signal in coronal forbidden lines using potential-field source-surface magnetic field models. The influence of electronic collisions, active regions, and Thomson scattering on the linear polarization of coronal forbidden lines is also examined. It is found that active regions and Thomson scattering are capable of conspicuously influencing the orientation of the linear polarization. These effects have to be carefully taken into account to increase the accuracy of the field diagnostics. We also found that linear polarization observation in suitable lines can give valuable information on the long-term evolution of the magnetic field in the solar corona.
International Nuclear Information System (INIS)
Simpson, R.W.; Lane, N.F.; Chaney, R.C.
1978-01-01
The electronic structure for a Ni atom cluster embedded in bulk Ni by use of a spin-averaged local exchange SCF Ni crystal potential is calculated with an ab initio LCAO-Mo variational method. A single hydrogen impurity is added at the cluster center (fcc octahedral interstitial site) and the electronic structure computed iteratively until the change in electron density from the pure Ni cluster density is self-consistent. The H-Ni 6 self-consistent density change is compared to the charge density around a free hydrogen atom and to the initial-response density change in H-Ni 14 and H-Ni 38 clusters. 14 references
Directory of Open Access Journals (Sweden)
Jürgen Geiser
2011-01-01
processes. In this paper we present a new model taken into account a self-consistent electrostatic-particle in cell model with low density Argon plasma. The collision model are based of Monte Carlo simulations is discussed for DC sputtering in lower pressure regimes. In order to simulate transport phenomena within sputtering processes realistically, a spatial and temporal knowledge of the plasma density and electrostatic field configuration is needed. Due to relatively low plasma densities, continuum fluid equations are not applicable. We propose instead a Particle-in-cell (PIC method, which allows the study of plasma behavior by computing the trajectories of finite-size particles under the action of an external and self-consistent electric field defined in a grid of points.
Energy Technology Data Exchange (ETDEWEB)
Inakura, T. [University of Tsukuba, Institute for Physics, Tsukuba (Japan); Nakatsukasa, T. [RIKEN Nishina Center, Theoretical Nuclear Physics Laboratory, Wako (Japan); Yabana, K. [University of Tsukuba, Institute for Physics, Tsukuba (Japan); University of Tsukuba, Center for Computational Sciences, Tsukuba (Japan)
2009-12-15
We undertake a systematic calculation on electric-dipole responses of even-even nuclei for a wide mass region employing a fully self-consistent Hartree-Fock plus RPA approach. For an easy implementation of the fully self-consistent calculation, the finite-amplitude method which we have proposed recently is employed. We calculated dipole responses in Cartesian mesh representation, which can deal with deformed nuclei but do not include pairing correlation. The systematic calculation has reached Nickel isotopes. The calculated results show reasonable agreement for heavy nuclei while the average excitation energies are underestimated for light nuclei. We show a systematic comparison of the splitting of the peak energy with the ground-state deformation. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Borrajo, M.; Egido, J.L. [Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain)
2016-09-15
We present an approach for the calculation of odd nuclei with exact self-consistent blocking and particle number and angular-momentum projection with the finite-range density-dependent Gogny force. As an application we calculate the nucleus {sup 31}Mg at the border of the N = 20 inversion island. We evaluate the ground-state properties, the excited states and the transition probabilities. In general we obtain a good description of the measured observables. (orig.)
International Nuclear Information System (INIS)
Wang, C.S.; Freeman, A.J.
1979-01-01
We present the self-consistent numerical-basis-set linear combination of atomic orbitals (LCAO) discrete variational method for treating the electronic structure of thin films. As in the case of bulk solids, this method provides for thin films accurate solutions of the one-particle local density equations with a non-muffin-tin potential. Hamiltonian and overlap matrix elements are evaluated accurately by means of a three-dimensional numerical Diophantine integration scheme. Application of this method is made to the self-consistent solution of one-, three-, and five-layer Ni(001) unsupported films. The LCAO Bloch basis set consists of valence orbitals (3d, 4s, and 4p states for transition metals) orthogonalized to the frozen-core wave functions. The self-consistent potential is obtained iteratively within the superposition of overlapping spherical atomic charge density model with the atomic configurations treated as adjustable parameters. Thus the crystal Coulomb potential is constructed as a superposition of overlapping spherically symmetric atomic potentials and, correspondingly, the local density Kohn-Sham (α = 2/3) potential is determined from a superposition of atomic charge densities. At each iteration in the self-consistency procedure, the crystal charge density is evaluated using a sampling of 15 independent k points in (1/8)th of the irreducible two-dimensional Brillouin zone. The total density of states (DOS) and projected local DOS (by layer plane) are calculated using an analytic linear energy triangle method (presented as an Appendix) generalized from the tetrahedron scheme for bulk systems. Distinct differences are obtained between the surface and central plane local DOS. The central plane DOS is found to converge rapidly to the DOS of bulk paramagnetic Ni obtained by Wang and Callaway. Only a very small surplus charge (0.03 electron/atom) is found on the surface planes, in agreement with jellium model calculations
Cruz, J.; Corregidor, V.; Alves, L. C.
2017-09-01
The study of corrosion products in two XVI century coins through the simultaneous and self-consistent μ-PIXE and μ-EBS spectra analyses is presented in this work. The fitted spectra give consistent results, showing the feasibility of this approach to determine in a fast and non-destructive way the elemental composition and concentration depth profiles of the corrosion layers.
Using Strong Solar Coronal Emission Lines as Coronal Flux Proxies
Falconer, David A.; Jordan, Studart D.; Davila, Joseph M.; Thomas, Roger J.; Andretta, Vincenzo; Brosius, Jeffrey W.; Hara, Hirosha
1997-01-01
A comparison of Skylab results with observations of the strong EUV lines of Fe XVI at 335 A and 361 A from the Goddard Solar EUV Rocket Telescope and Spectrograph (SERTS) flight of 1989 suggests that these lines, and perhaps others observed with SERTS, might offer good proxies for estimating the total coronal flux over important wavelength ranges. In this paper, we compare SERTS observations from a later, 1993 flight with simultaneous cospatial Yohkoh soft X-ray observations to test this suggestion over the energy range of the Soft X-ray Telescope (SXT) on Yohkoh. Both polynomial and power-law fits are obtained, and errors are estimated, for the SERTS lines of Fe XVI 335 A and 361 A, Fe XV 284 A and 417 A, and Mg IX 368 A. It is found that the power-law fits best cover the full range of solar conditions from quiet Sun through active region, though not surprisingly the 'cooler' Mg IX 368 A line proves to be a poor proxy. The quadratic polynomial fits yield fair agreement over a large range for all but the Mg IX line, but the linear fits fail conspicuously when extrapolated into the quiet Sun regime. The implications of this work for the He 11 304 A line formation problem are briefly considered. The paper concludes with a discussion of the value of these iron lines observed with SERTS for estimating stellar coronal fluxes, as observed for example with the EUVE satellite.
Frontoorbital advancement in coronal suture craniosynostosis: a ...
African Journals Online (AJOL)
degree of frontoorbital advancement in treatment of coronal craniosynostosis. Patients and methods ... reshaping for treatment of bilateral and unilateral coronal craniosynostosis achieve excellent functional and ..... developed pulmonary edema and heart failure 1 day after surgery most probably because of fluid overload.
Microwave Enhancement in Coronal Holes: Statistical Properties
Indian Academy of Sciences (India)
Home; Journals; Journal of Astrophysics and Astronomy; Volume 21; Issue 3-4. Microwave Enhancement in Coronal Holes: Statistical Properties. Ν. Gopalswamy Κ. Shibasaki Μ. Salem. Session X – Cycle Variation in the Quiet Corona & Coronal Holes Volume 21 Issue 3-4 September-December 2000 pp 413-417 ...
Ziaei, Vafa; Bredow, Thomas
2017-06-01
We study the impact of dynamical electron-phonon (el-ph) effects on the electronic band gap of ice and liquid water by accounting for frequency-dependent Fan contributions in the el-ph mediated self-energy within the many-body perturbation theory (MBPT). We find that the dynamical el-ph coupling effects greatly reduce the static el-ph band-gap correction of the hydrogen-rich molecular ice crystal from-2.46 to -0.23 eV in great contrast to the result of Monserrat et al. [Phys. Rev. B 92, 140302 (2015), 10.1103/PhysRevB.92.140302]. This is of particular importance as otherwise the static el-ph gap correction would considerably reduce the electronic band gap, leading to considerable underestimation of the intense peaks of optical absorption spectra of ice which would be in great disagreement to experimental references. By contrast, the static el-ph gap correction of liquid water is very moderate (-0.32 eV), and inclusion of dynamical effects slightly reduces the gap correction to -0.19 eV. Further, we determine the diverse sensitivity of ice and liquid water to the G W self-consistency and show that the energy-only self-consistent approach (GnWn ) exhibits large implicit vertex character in comparison to the quasiparticle self-consistent approach, for which an explicit calculation of vertex corrections is necessary for good agreement with experiment.
Energy Technology Data Exchange (ETDEWEB)
Ludwig, Frank; Remmer, Hilke; Kuhlmann, Christian; Wawrzik, Thilo [Institute of Electrical Measurement and Fundamental Electrical Engineering, TU Braunschweig, Hans-Sommer-Str. 66, D-38106 Braunschweig (Germany); Arami, Hamed; Ferguson, R. Mathew [Department of Materials Science and Engineering Box 352120, University of Washington, Seattle, WA 98195 (United States); Krishnan, Kannan M., E-mail: kannanmk@uw.edu [Department of Materials Science and Engineering Box 352120, University of Washington, Seattle, WA 98195 (United States)
2014-06-01
Sensitivity and spatial resolution in magnetic particle imaging are affected by magnetic properties of the nanoparticle tracers used during imaging. Here, we have carried out a comprehensive magnetic characterization of single-core iron oxide nanoparticles that were designed for MPI. We used ac susceptometry, fluxgate magnetorelaxometry, and magnetic particle spectroscopy to evaluate the tracer's magnetic core size, hydrodynamic size, and magnetic anisotropy. Our results present a self-consistent set of magnetic and structural parameters for the tracers that is consistent with direct measurements of size using transmission electron microscopy and dynamic light scattering and that can be used to better understand their MPI performance.
International Nuclear Information System (INIS)
Bizarro, J.P.; Peysson, Y.; Bonoli, P.T.; Carrasco, J.; Dudok de Wit, T.; Fuchs, V.; Hoang, G.T.; Litaudon, X.; Moreau, D.; Pocheau, C.; Shkarofsky, I.P.
1993-04-01
A detailed investigation is presented on the ability of combined ray-tracing and Fokker-Planck calculations to predict the hard x-ray (HXR) emission during lower-hybrid (LH) current drive in tokamaks when toroidally induced-ray-stochasticity is important. A large number of rays is used and the electron distribution function is obtained by self-consistently iterating the appropriate LH power deposition and Fokker-Planck calculations. Most of the experimentally observed features of the HXR emission are correctly predicted. It is found that corrections due to radial diffusion of suprathermal electrons and to radiation scattering by the inner wall can be significant
DEFF Research Database (Denmark)
Miyagi, Haruhide; Madsen, Lars Bojer
We have developed a new theoretical framework for time-dependent many-electron problems named time-dependent restricted-active-space self-consistent field (TD-RASSCF) theory. The theory generalizes the multicongurational time-dependent Hartree-Fock (MCTDHF) theory by truncating the expansion...... at a specific excitation level. In a numerical application to laser-driven electron dynamics of the one-dimensional beryllium atom, the TD-RASSCF method performs accurately while largely reducing the computational complexity compared to the MCTDHF method....
Meliga, Philippe
2017-07-01
We provide in-depth scrutiny of two methods making use of adjoint-based gradients to compute the sensitivity of drag in the two-dimensional, periodic flow past a circular cylinder (Re≲189 ): first, the time-stepping analysis used in Meliga et al. [Phys. Fluids 26, 104101 (2014), 10.1063/1.4896941] that relies on classical Navier-Stokes modeling and determines the sensitivity to any generic control force from time-dependent adjoint equations marched backwards in time; and, second, a self-consistent approach building on the model of Mantič-Lugo et al. [Phys. Rev. Lett. 113, 084501 (2014), 10.1103/PhysRevLett.113.084501] to compute semilinear approximations of the sensitivity to the mean and fluctuating components of the force. Both approaches are applied to open-loop control by a small secondary cylinder and allow identifying the sensitive regions without knowledge of the controlled states. The theoretical predictions obtained by time-stepping analysis reproduce well the results obtained by direct numerical simulation of the two-cylinder system. So do the predictions obtained by self-consistent analysis, which corroborates the relevance of the approach as a guideline for efficient and systematic control design in the attempt to reduce drag, even though the Reynolds number is not close to the instability threshold and the oscillation amplitude is not small. This is because, unlike simpler approaches relying on linear stability analysis to predict the main features of the flow unsteadiness, the semilinear framework encompasses rigorously the effect of the control on the mean flow, as well as on the finite-amplitude fluctuation that feeds back nonlinearly onto the mean flow via the formation of Reynolds stresses. Such results are especially promising as the self-consistent approach determines the sensitivity from time-independent equations that can be solved iteratively, which makes it generally less computationally demanding. We ultimately discuss the extent to
Smith, J. A.; Froyd, K. D.; Toon, O. B.
2012-12-01
We construct tables of reaction enthalpies and entropies for the association reactions involving sulfuric acid vapor, water vapor, and the bisulfate ion. These tables are created from experimental measurements and quantum chemical calculations for molecular clusters and a classical thermodynamic model for larger clusters. These initial tables are not thermodynamically consistent. For example, the Gibbs free energy of associating a cluster consisting of one acid molecule and two water molecules depends on the order in which the cluster was assembled: add two waters and then the acid or add an acid and a water and then the second water. We adjust the values within the tables using the method of Lagrange multipliers to minimize the adjustments and produce self-consistent Gibbs free energy surfaces for the neutral clusters and the charged clusters. With the self-consistent Gibbs free energy surfaces, we calculate size distributions of neutral and charged clusters for a variety of atmospheric conditions. Depending on the conditions, nucleation can be dominated by growth along the neutral channel or growth along the ion channel followed by ion-ion recombination.
Fast magnetoacoustic wave trains in coronal holes
Pascoe, D. J.; Nakariakov, V. M.; Kupriyanova, E. G.
2014-08-01
Context. Rapidly propagating coronal EUV disturbances recently discovered in the solar corona are interpreted in terms of guided fast magnetoacoustic waves. Fast magnetoacoustic waves experience geometric dispersion in waveguides, which causes localised, impulsive perturbations to develop into quasi-periodic wave trains. Aims: We consider the formation of fast wave trains in a super-radially expanding coronal hole modelled by a magnetic funnel with a field-aligned density profile that is rarefied in comparison to the surrounding plasma. This kind of structure is typical of coronal holes, and it forms a fast magnetoacoustic anti-waveguide as a local maximum in the Alfvén speed. Methods: We performed 2D MHD numerical simulations for impulsively generated perturbations to the system. Both sausage and kink perturbations are considered and the role of the density contrast ratio investigated. Results: The anti-waveguide funnel geometry refracts wave energy away from the structure. However, in this geometry the quasi-periodic fast wave trains are found to appear, too, and so can be associated with the observed rapidly propagating coronal EUV disturbances. The wave trains propagate along the external edge of the coronal hole. The fast wave trains generated in coronal holes exhibit less dispersive evolution than in the case of a dense waveguide. Conclusions: We conclude that an impulsive energy release localised in a coronal plasma inhomogeneity develops into a fast wave train for both kink and sausage disturbances and for both waveguide and anti-waveguide transverse plasma profiles.
Observational features of equatorial coronal hole jets
Directory of Open Access Journals (Sweden)
G. Nisticò
2010-03-01
Full Text Available Collimated ejections of plasma called "coronal hole jets" are commonly observed in polar coronal holes. However, such coronal jets are not only a specific features of polar coronal holes but they can also be found in coronal holes appearing at lower heliographic latitudes. In this paper we present some observations of "equatorial coronal hole jets" made up with data provided by the STEREO/SECCHI instruments during a period comprising March 2007 and December 2007. The jet events are selected by requiring at least some visibility in both COR1 and EUVI instruments. We report 15 jet events, and we discuss their main features. For one event, the uplift velocity has been determined as about 200 km s−1, while the deceleration rate appears to be about 0.11 km s−2, less than solar gravity. The average jet visibility time is about 30 min, consistent with jet observed in polar regions. On the basis of the present dataset, we provisionally conclude that there are not substantial physical differences between polar and equatorial coronal hole jets.
Space weather and coronal mass ejections
Howard, Tim
2013-01-01
Space weather has attracted a lot of attention in recent times. Severe space weather can disrupt spacecraft, and on Earth can be the cause of power outages and power station failure. It also presents a radiation hazard for airline passengers and astronauts. These ""magnetic storms"" are most commonly caused by coronal mass ejections, or CMES, which are large eruptions of plasma and magnetic field from the Sun that can reach speeds of several thousand km/s. In this SpringerBrief, Space Weather and Coronal Mass Ejections, author Timothy Howard briefly introduces the coronal mass ejection, its sc
Rolf, T.; Crameri, F.; Tackley, P. J.
2012-04-01
The dynamics of the Earth's lithosphere and mantle are strongly influenced by its upper mechanical boundary condition. For instance, our previous work has shown that a necessity for the evolution of Earth-like, single-sided subduction is a free surface, which allows for vertical movement of the two converging plates, i.e. the development of surface topography [Crameri et al (2012), in press]. Single-sided subduction has an important effect on the evolution of self-consistent plate tectonics, e.g. by shaping subduction trenches. However, due to the usage of a homogeneous, i.e. purely oceanic, lithosphere these models tend to favour the rigid lid mode of plate tectonics for a realistic strength of the lithosphere, which is in contradiction to the present-day Earth. In contrast, our previous work with a pre-existing heterogeneous structure of the lithosphere has shown that the presence of continents floating at the top of the mantle may play an important role in the evolution of plate tectonics. Convective stresses may be focussed at the rheological boundary between continent and ocean, which facilitates the formation of plate boundaries and makes the Earth-like, mobile lid mode of plate tectonics easier to observe [Rolf & Tackley (2011)]. However, in these models subduction is single-sided when one oceanic and one continental plate converge, but double-sided in the case of two converging oceanic plates. Taking the previous findings as a motivation, we now combine both ingredients: the free surface and the heterogeneous lithosphere, in one self-consistent model. We approximate the free surface by using a "sticky air" layer [Schmeling et al, 2008; Crameri et al., submitted] and the continents by strong Archaean cratons, which can resist recycling on long timescales [Rolf & Tackley (2011)]. Such a model might produce single-sided subduction that is continuously evolving supported by the presence of continents. Performing global-scale self-consistent mantle convection
Hu, Renfeng; Wu, David T; Wang, Dapeng
2017-04-01
A modified test-chain self-consistent field theory (SCFT) is presented to study the intra- and intermolecular correlations of linear and branched polymers in various solutions and melts. The key to the test-chain SCFT is to break the the translational symmetry by fixing a monomer at the origin of a coordinate. This theory successfully describes the crossover from self-avoiding walk at short distances to screened random walk at long distances in a semidilute solution or melt. The calculations indicated that branching enhances the swelling of polymers in melts and influences stretching at short distances. The test-chain SCFT calculations show good agreement with experiments and classic polymer theories. We highlight that the theory presented here provides a solution to interpret the polymer conformation and behavior under various conditions within the framework of one theory.
DEFF Research Database (Denmark)
Svane, Axel; Christensen, Niels Egede; Cardona,, M.
2010-01-01
The electronic band structures of PbS, PbSe, and PbTe in the rocksalt structure are calculated with the quasiparticle self-consistent GW (QSGW) approach with spin-orbit coupling included. The semiconducting gaps and their deformation potentials as well as the effective masses are obtained. The GW...... approximation provides a correct description of the electronic structure around the gap, in contrast to the local-density approximation, which leads to inverted gaps in the lead chalcogenides. The QSGW calculations are in good quantitative agreement with experimental values of the gaps and masses. At moderate...... hole doping a complex filamental Fermi-surface structure develops with ensuing large density of states. The pressure-induced gap closure leads to linear (Dirac-type) band dispersions around the L point....
Lu, Shih-I.
2018-01-01
We use the discrete solvent reaction field model to evaluate the linear and second-order nonlinear optical susceptibilities of 3-methyl-4-nitropyridine-1-oxyde crystal. In this approach, crystal environment is created by supercell architecture. A self-consistent procedure is used to obtain charges and polarizabilities for environmental atoms. Impact of atomic polarizabilities on the properties of interest is highlighted. This approach is shown to give the second-order nonlinear optical susceptibilities within error bar of experiment as well as the linear optical susceptibilities in the same order as experiment. Similar quality of calculations are also applied to both 4-N,N-dimethylamino-3-acetamidonitrobenzene and 2-methyl-4-nitroaniline crystals.
Kovalenko, Andriy; Gusarov, Sergey
2018-01-31
In this work, we will address different aspects of self-consistent field coupling of computational chemistry methods at different time and length scales in modern materials and biomolecular science. Multiscale methods framework yields dramatically improved accuracy, efficiency, and applicability by coupling models and methods on different scales. This field benefits many areas of research and applications by providing fundamental understanding and predictions. It could also play a particular role in commercialization by guiding new developments and by allowing quick evaluation of prospective research projects. We employ molecular theory of solvation which allows us to accurately introduce the effect of the environment on complex nano-, macro-, and biomolecular systems. The uniqueness of this method is that it can be naturally coupled with the whole range of computational chemistry approaches, including QM, MM, and coarse graining.
International Nuclear Information System (INIS)
Zhukov, V.P.; Yarlborg, T.; Gubanov, V.A.; Shvejkin, G.P.
1985-01-01
Self-consistent band structure calculations of V, Nb, VC, NbC, WC are carried out by the methods of LMTO and canonical Anderson zones with account for hybridization. The presence of an abnormally wide the 2pC-5dW-band and band of the 5d-states of tungsten below the Fermi level, predominantly, is found for WC. The crystal lattice constants, moduli of volume elasticity and sound velocities, Debye temperatures and melting temperatures are calculated. The results mainly correspond to the trends observed in the experiements. It is shown that a high VC elasticity is, basically, determined by hybridization of the metal s- and p-states with the carbon 2s- and 2p-states, while hybridization of the 5d-W- and 2pC-, 2sC-states makes the greatest contribution to the extreme elasticity
Anghel, D V; Nemnes, G A; Gulminelli, F
2013-10-01
We describe a mean field interacting particle system in any number of dimensions and in a generic external potential as an ideal gas with fractional exclusion statistics (FES). We define the FES quasiparticle energies, we calculate the FES parameters of the system and we deduce the equations for the equilibrium particle populations. The FES gas is "ideal," in the sense that the quasiparticle energies do not depend on the other quasiparticle levels' populations and the sum of the quasiparticle energies is equal to the total energy of the system. We prove that the FES formalism is equivalent to the semiclassical or Thomas Fermi limit of the self-consistent mean-field theory and the FES quasiparticle populations may be calculated from the Landau quasiparticle populations by making the correspondence between the FES and the Landau quasiparticle energies. The FES provides a natural semiclassical ideal gas description of the interacting particle gas.
Directory of Open Access Journals (Sweden)
M Modarres
2007-06-01
Full Text Available By using the convolution formalism which consists of Fermi motion and binding effect, we investigate the deep inelastic electron scattering from A=3 mirror in the deep-valence region. The initial valence quark input is taken from the GRVs (Gluck, Reya and Vogt fitting procedure and the next-to-leading order QCD evolution on FP2 (x,Q2 which gives very good fit to the available data in the (x,Q2-plane. It is shown that the free neutron to proton structure function ratios can be extracted from the corresponding EMC ratios for 3He and 3H mirror nuclei using the self - consistent iteration procedure and the results are in good agreement with other theoretical models as well as the current available experimental data and especially the projected data expected from the proposed 11GeV Jefferson Laboratory in near future.
Shiino, Masatoshi; Yamana, Michiko
2004-01-01
We study the statistical mechanical aspects of stochastic analog neural network models for associative memory with correlation type learning. We take three approaches to derive the set of the order parameter equations for investigating statistical properties of retrieval states: the self-consistent signal-to-noise analysis (SCSNA), the Thouless-Anderson-Palmer (TAP) equation, and the replica symmetric calculation. On the basis of the cavity method the SCSNA can be generalized to deal with stochastic networks. We establish the close connection between the TAP equation and the SCSNA to elucidate the relationship between the Onsager reaction term of the TAP equation and the output proportional term of the SCSNA that appear in the expressions for the local fields.
International Nuclear Information System (INIS)
Zaghloul, Mofreh R.
2009-01-01
Accurate and consistent prediction of thermodynamic properties is of great importance in high-energy density physics and in modeling stellar atmospheres and interiors as well. Modern descriptions of thermodynamic properties of such nonideal plasma systems are sophisticated and/or full of pitfalls that make it difficult, if not impossible, to reproduce. The use of the Saha equation modified at high densities by incorporating simple expressions for depression of ionization potentials is very convenient in that context. However, as it is commonly known, the incorporation of ad hoc or empirical expressions for the depression of ionization potentials in the Saha equation leads to thermodynamic inconsistencies. The problem of thermodynamic consistency of ionization potentials depression in nonideal plasmas is investigated and a criterion is derived, which shows immediately, whether a particular model for the ionization potential depression is self-consistent, that is, whether it can be directly related to a modification of the free-energy function, or not. A backward scheme is introduced which can be utilized to derive nonideality corrections to the free-energy function from formulas of ionization potentials depression derived from plasma microfields or in ad hoc or empirical fashion provided that the aforementioned self-consistency criterion is satisfied. The value and usefulness of such a backward method are pointed out and discussed. The above-mentioned criterion is applied to investigate the thermodynamic consistency of some historic models in the literature and an optional routine is introduced to recover their thermodynamic consistencies while maintaining the same functional dependence on the species densities as in the original models. Sample computational problems showing the effect of the proposed modifications on the computed plasma composition are worked out and presented.
Tandy, P; Yu, Ming; Leahy, C; Jayanthi, C S; Wu, S Y
2015-03-28
An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemical bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ∼230 compact boron clusters BN with N in the range from ∼100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B12 units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.
Energy Technology Data Exchange (ETDEWEB)
Tandy, P.; Yu, Ming; Leahy, C.; Jayanthi, C. S.; Wu, S. Y. [Department of Physics and Astronomy, University of Louisville, Louisville, Kentucky 40292 (United States)
2015-03-28
An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemical bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ∼230 compact boron clusters B{sub N} with N in the range from ∼100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B{sub 12} units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian.
International Nuclear Information System (INIS)
Tandy, P.; Yu, Ming; Leahy, C.; Jayanthi, C. S.; Wu, S. Y.
2015-01-01
An upgrade of the previous self-consistent and environment-dependent linear combination of atomic orbitals Hamiltonian (referred as SCED-LCAO) has been developed. This improved version of the semi-empirical SCED-LCAO Hamiltonian, in addition to the inclusion of self-consistent determination of charge redistribution, multi-center interactions, and modeling of electron-electron correlation, has taken into account the effect excited on the orbitals due to the atomic aggregation. This important upgrade has been subjected to a stringent test, the construction of the SCED-LCAO Hamiltonian for boron. It was shown that the Hamiltonian for boron has successfully characterized the electron deficiency of boron and captured the complex chemical bonding in various boron allotropes, including the planar and quasi-planar, the convex, the ring, the icosahedral, and the fullerene-like clusters, the two-dimensional monolayer sheets, and the bulk alpha boron, demonstrating its transferability, robustness, reliability, and predictive power. The molecular dynamics simulation scheme based on the Hamiltonian has been applied to explore the existence and the energetics of ∼230 compact boron clusters B N with N in the range from ∼100 to 768, including the random, the rhombohedral, and the spherical icosahedral structures. It was found that, energetically, clusters containing whole icosahedral B 12 units are more stable for boron clusters of larger size (N > 200). The ease with which the simulations both at 0 K and finite temperatures were completed is a demonstration of the efficiency of the SCED-LCAO Hamiltonian
Evidence for shock generation in the solar corona in the absence of coronal mass ejections
Eselevich, V. G.; Eselevich, M. V.; Zimovets, I. V.; Sharykin, I. N.
2017-09-01
The solar event SOL2012-10-23T03:13, which was associated with a X1.8 flare without an accompanying coronal mass ejection (CME) and with a Type II radio burst, is analyzed. A method for constructing the spatial and temporal profiles of the difference brightness detected in the AIA/SDOUVand EUV channels is used together with the analysis of the Type II radio burst. The formation and propagation of a region of compression preceded by a collisional shock detected at distances R heating from magnetic reconnection. The cessation of the eruption of the rope could result from its interaction with surrounding magnetic structures (coronal loops).