Non-equilibrium Green's functions method: Non-trivial and disordered leads

Energy Technology Data Exchange (ETDEWEB)

He, Yu, E-mail: heyuyhe@gmail.com; Wang, Yu; Klimeck, Gerhard; Kubis, Tillmann [Network for Computational Nanotechnology, Purdue University, West Lafayette, Indiana 47907 (United States)

2014-11-24

The non-equilibrium Green's function algorithm requires contact self-energies to model charge injection and extraction. All existing approaches assume infinitely periodic leads attached to a possibly quite complex device. This contradicts today's realistic devices in which contacts are spatially inhomogeneous, chemically disordered, and impacting the overall device characteristics. This work extends the complex absorbing potentials method for arbitrary, ideal, or non-ideal leads in atomistic tight binding representation. The algorithm is demonstrated on a Si nanowire with periodic leads, a graphene nanoribbon with trumpet shape leads, and devices with leads of randomly alloyed Si{sub 0.5}Ge{sub 0.5}. It is found that alloy randomness in the leads can reduce the predicted ON-state current of Si{sub 0.5}Ge{sub 0.5} transistors by 45% compared to conventional lead methods.

Thermal transport through a spin-phonon interacting junction: A nonequilibrium Green's function method study

Science.gov (United States)

Zhang, Zu-Quan; Lü, Jing-Tao

2017-09-01

Using the nonequilibrium Green's function method, we consider heat transport in an insulating ferromagnetic spin chain model with spin-phonon interaction under an external magnetic field. Employing the Holstein-Primakoff transformation to the spin system, we treat the resulted magnon-phonon interaction within the self-consistent Born approximation. We find the magnon-phonon coupling can change qualitatively the magnon thermal conductance in the high-temperature regime. At a spectral mismatched ferromagnetic-normal insulator interface, we also find thermal rectification and negative differential thermal conductance due to the magnon-phonon interaction. We show that these effects can be effectively tuned by the external applied magnetic field, a convenient advantage absent in anharmonic phonon and electron-phonon systems studied before.

Improvements on non-equilibrium and transport Green function techniques: The next-generation TRANSIESTA

Science.gov (United States)

Papior, Nick; Lorente, Nicolás; Frederiksen, Thomas; García, Alberto; Brandbyge, Mads

2017-03-01

We present novel methods implemented within the non-equilibrium Green function code (NEGF) TRANSIESTA based on density functional theory (DFT). Our flexible, next-generation DFT-NEGF code handles devices with one or multiple electrodes (Ne ≥ 1) with individual chemical potentials and electronic temperatures. We describe its novel methods for electrostatic gating, contour optimizations, and assertion of charge conservation, as well as the newly implemented algorithms for optimized and scalable matrix inversion, performance-critical pivoting, and hybrid parallelization. Additionally, a generic NEGF "post-processing" code (TBTRANS/PHTRANS) for electron and phonon transport is presented with several novelties such as Hamiltonian interpolations, Ne ≥ 1 electrode capability, bond-currents, generalized interface for user-defined tight-binding transport, transmission projection using eigenstates of a projected Hamiltonian, and fast inversion algorithms for large-scale simulations easily exceeding 106 atoms on workstation computers. The new features of both codes are demonstrated and bench-marked for relevant test systems.

Many-Body Green Function of Degenerate Systems

International Nuclear Information System (INIS)

Brouder, Christian; Panati, Gianluca; Stoltz, Gabriel

2009-01-01

A rigorous nonperturbative adiabatic approximation of the evolution operator in the many-body physics of degenerate systems is derived. This approximation is used to solve the long-standing problem of the choice of the initial states of H 0 leading to eigenstates of H 0 +V for degenerate systems. These initial states are eigenstates of P 0 VP 0 , where P 0 is the projection onto a degenerate eigenspace of H 0 . This result is used to give the proper definition of the Green function, the statistical Green function and the nonequilibrium Green function of degenerate systems. The convergence of these Green functions is established.

General Retarded Contact Self-energies in and beyond the Non-equilibrium Green's Functions Method

Science.gov (United States)

Kubis, Tillmann; He, Yu; Andrawis, Robert; Klimeck, Gerhard

2016-03-01

Retarded contact self-energies in the framework of nonequilibrium Green's functions allow to model the impact of lead structures on the device without explicitly including the leads in the actual device calculation. Most of the contact self-energy algorithms are limited to homogeneous or periodic, semi-infinite lead structures. In this work, the complex absorbing potential method is extended to solve retarded contact self-energies for arbitrary lead structures, including irregular and randomly disordered leads. This method is verified for regular leads against common approaches and on physically equivalent, but numerically different irregular leads. Transmission results on randomly alloyed In0.5Ga0.5As structures show the importance of disorder in the leads. The concept of retarded contact self-energies is expanded to model passivation of atomically resolved surfaces without explicitly increasing the device's Hamiltonian.

Steady state conductance in a double quantum dot array: the nonequilibrium equation-of-motion Green function approach.

Science.gov (United States)

Levy, Tal J; Rabani, Eran

2013-04-28

We study steady state transport through a double quantum dot array using the equation-of-motion approach to the nonequilibrium Green functions formalism. This popular technique relies on uncontrolled approximations to obtain a closure for a hierarchy of equations; however, its accuracy is questioned. We focus on 4 different closures, 2 of which were previously proposed in the context of the single quantum dot system (Anderson impurity model) and were extended to the double quantum dot array, and develop 2 new closures. Results for the differential conductance are compared to those attained by a master equation approach known to be accurate for weak system-leads couplings and high temperatures. While all 4 closures provide an accurate description of the Coulomb blockade and other transport properties in the single quantum dot case, they differ in the case of the double quantum dot array, where only one of the developed closures provides satisfactory results. This is rationalized by comparing the poles of the Green functions to the exact many-particle energy differences for the isolate system. Our analysis provides means to extend the equation-of-motion technique to more elaborate models of large bridge systems with strong electronic interactions.

Ballistic calculation of nonequilibrium Green's function in nanoscale devices using finite element method

International Nuclear Information System (INIS)

Kurniawan, O; Bai, P; Li, E

2009-01-01

A ballistic calculation of a full quantum mechanical system is presented to study 2D nanoscale devices. The simulation uses the nonequilibrium Green's function (NEGF) approach to calculate the transport properties of the devices. While most available software uses the finite difference discretization technique, our work opts to formulate the NEGF calculation using the finite element method (FEM). In calculating a ballistic device, the FEM gives some advantages. In the FEM, the floating boundary condition for ballistic devices is satisfied naturally. This paper gives a detailed finite element formulation of the NEGF calculation applied to a double-gate MOSFET device with a channel length of 10 nm and a body thickness of 3 nm. The potential, electron density, Fermi functions integrated over the transverse energy, local density of states and the transmission coefficient of the device have been studied. We found that the transmission coefficient is significantly affected by the top of the barrier between the source and the channel, which in turn depends on the gate control. This supports the claim that ballistic devices can be modelled by the transport properties at the top of the barrier. Hence, the full quantum mechanical calculation presented here confirms the theory of ballistic transport in nanoscale devices.

General Retarded Contact Self-energies in and beyond the Non-equilibrium Green's Functions Method

International Nuclear Information System (INIS)

Kubis, Tillmann; He, Yu; Andrawis, Robert; Klimeck, Gerhard

2016-01-01

Retarded contact self-energies in the framework of nonequilibrium Green's functions allow to model the impact of lead structures on the device without explicitly including the leads in the actual device calculation. Most of the contact self-energy algorithms are limited to homogeneous or periodic, semi-infinite lead structures. In this work, the complex absorbing potential method is extended to solve retarded contact self-energies for arbitrary lead structures, including irregular and randomly disordered leads. This method is verified for regular leads against common approaches and on physically equivalent, but numerically different irregular leads. Transmission results on randomly alloyed In 0.5 Ga 0.5 As structures show the importance of disorder in the leads. The concept of retarded contact self-energies is expanded to model passivation of atomically resolved surfaces without explicitly increasing the device's Hamiltonian. (paper)

The Green-Kubo formula, autocorrelation function and fluctuation spectrum for finite Markov chains with continuous time

International Nuclear Information System (INIS)

Chen Yong; Chen Xi; Qian Minping

2006-01-01

A general form of the Green-Kubo formula, which describes the fluctuations pertaining to all the steady states whether equilibrium or non-equilibrium, for a system driven by a finite Markov chain with continuous time (briefly, MC) {ξ t }, is shown. The equivalence of different forms of the Green-Kubo formula is exploited. We also look at the differences in terms of the autocorrelation function and the fluctuation spectrum between the equilibrium state and the non-equilibrium steady state. Also, if the MC is in the non-equilibrium steady state, we can always find a complex function ψ, such that the fluctuation spectrum of {φ(ξ t )} is non-monotonous in [0, + ∞)

The Green-Kubo formula, autocorrelation function and fluctuation spectrum for finite Markov chains with continuous time

Energy Technology Data Exchange (ETDEWEB)

Chen Yong; Chen Xi; Qian Minping [School of Mathematical Sciences, Peking University, Beijing 100871 (China)

2006-03-17

A general form of the Green-Kubo formula, which describes the fluctuations pertaining to all the steady states whether equilibrium or non-equilibrium, for a system driven by a finite Markov chain with continuous time (briefly, MC) {l_brace}{xi}{sub t}{r_brace}, is shown. The equivalence of different forms of the Green-Kubo formula is exploited. We also look at the differences in terms of the autocorrelation function and the fluctuation spectrum between the equilibrium state and the non-equilibrium steady state. Also, if the MC is in the non-equilibrium steady state, we can always find a complex function {psi}, such that the fluctuation spectrum of {l_brace}{phi}({xi}{sub t}){r_brace} is non-monotonous in [0, + {infinity})

Nonequilibrium Green's function theory of resonant steady state photoconduction in a double quantum well FET subject to THz radiation at plasmon frequency

International Nuclear Information System (INIS)

Horing, Norman J Morgenstern; Popov, Vyacheslav V

2006-01-01

Recent experimental observations by X.G. Peralta and S.J. Allen, et al. of dc photoconductivity resonances in steady source-drain current subject to terahertz radiation in a grid-gated double-quantum well FET suggested an association with plasmon resonances. This association was definitively confirmed for some parameter ranges in our detailed electrodynamic absorbance calculations. In this paper we propose that the reason that the dc photoconductance resonances match the plasmon resonances in semiconductors is based on a nonlinear dynamic screening mechanism. In this, we employ a shielded potential approximation that is nonlinear in the terahertz field to determine the nonequilibrium Green's function and associated density perturbation that govern the nonequilibrium dielectric polarization of the medium. This 'conditioning' of the system by the incident THz radiation results in resonant polarization response at the plasmon frequencies which, in turn, causes a sharp drop of the resistive shielded impurity scattering potentials and attendant increase of the dc source-drain current. This amounts to disabling the impurity scattering mechanism by plasmon resonant behavior in nonlinear screening

Semiconductor band alignment from first principles: a new nonequilibrium Green's function method applied to the CZTSe/CdS interface for photovoltaics

DEFF Research Database (Denmark)

Palsgaard, Mattias Lau Nøhr; Crovetto, Andrea; Gunst, Tue

2016-01-01

In this paper we present a method to obtain the band offset of semiconductor heterointerfaces from Density Functional Theory together with the nonequilibrium Green's function method. Band alignment and detailed properties of the interface between Cu2ZnSnSe4 and CdS are extracted directly from first...... principles simulations. The interface is important for photovoltaics applications where in particular the band offsets are important for efficiency. The band bending pose a problem for accurate atomistic simulations of band offsets due to its long range. Here we investigate two different methods for dealing...... with band bending directly. One involves doping the materials to induce a shorter screening length. The other method is to apply a voltage bias across the interface to correct for the band bending. The calculated band offsets agree well with previous experimental and theoretical studies and, interestingly...

Electron systems out of equilibrium: nonequilibrium Green's function approach

Czech Academy of Sciences Publication Activity Database

Špička, Václav; Velický, Bedřich; Kalvová, Anděla

2014-01-01

Roč. 28, č. 23 (2014), "1430013-1"-"1430013-103" ISSN 0217-9792 R&D Projects: GA ČR GAP204/12/0897 Institutional support: RVO:68378271 Keywords : nonequilibrium statistical physics * transients * quantum transport the ory Subject RIV: BE - The oretical Physics Impact factor: 0.937, year: 2014

Introduction to the nonequilibrium functional renormalization group

International Nuclear Information System (INIS)

Berges, J.; Mesterházy, D.

2012-01-01

In these lectures we introduce the functional renormalization group out of equilibrium. While in thermal equilibrium typically a Euclidean formulation is adequate, nonequilibrium properties require real-time descriptions. For quantum systems specified by a given density matrix at initial time, a generating functional for real-time correlation functions can be written down using the Schwinger-Keldysh closed time path. This can be used to construct a nonequilibrium functional renormalization group along similar lines as for Euclidean field theories in thermal equilibrium. Important differences include the absence of a fluctuation-dissipation relation for general out-of-equilibrium situations. The nonequilibrium renormalization group takes on a particularly simple form at a fixed point, where the corresponding scale-invariant system becomes independent of the details of the initial density matrix. We discuss some basic examples, for which we derive a hierarchy of fixed point solutions with increasing complexity from vacuum and thermal equilibrium to nonequilibrium. The latter solutions are then associated to the phenomenon of turbulence in quantum field theory.

Nonequilibrium statistical averages and thermo field dynamics

International Nuclear Information System (INIS)

Marinaro, A.; Scarpetta, Q.

1984-01-01

An extension of thermo field dynamics is proposed, which permits the computation of nonequilibrium statistical averages. The Brownian motion of a quantum oscillator is treated as an example. In conclusion it is pointed out that the procedure proposed to computation of time-dependent statistical average gives the correct two-point Green function for the damped oscillator. A simple extension can be used to compute two-point Green functions of free particles

Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces

International Nuclear Information System (INIS)

Hyldgaard, P

2012-01-01

The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted ‘DBT’, provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

Performance and Design Considerations of a Novel Dual-Material Gate Carbon Nanotube Field-Effect Transistors: Nonequilibrium Green's Function Approach

Science.gov (United States)

Arefinia, Zahra; Orouji, Ali A.

2009-02-01

The concept of dual-material gate (DMG) is applied to the carbon nanotube field-effect transistor (CNTFET) with doped source and drain extensions, and the features exhibited by the resulting new structure, i.e., the DMG-CNTFET structure, have been examined for the first time by developing a two-dimensional (2D) full quantum simulation. The simulations have been done by the self-consistent solution of 2D Poisson-Schrödinger equations, within the nonequilibrium Green's function (NEGF) formalism. The results show DMG-CNTFET decreases significantly leakage current and drain conductance and increases on-off current ratio and voltage gain as compared to the single material gate counterparts CNTFET. It is seen that short channel effects in this structure are suppressed because of the perceivable step in the surface potential profile, which screens the drain potential. Moreover, these unique features can be controlled by engineering the workfunction and length of the gate metals. Therefore, this work provides an incentive for further experimental exploration.

Spin-polarized current and shot noise in the presence of spin flip in a quantum dot via nonequilibrium Green's functions

DEFF Research Database (Denmark)

De Souza, Fabricio; Jauho, Antti-Pekka; Egues, J.C.

2008-01-01

Using nonequilibrium Green's functions we calculate the spin-polarized current and shot noise in a ferromagnet-quantum-dot-ferromagnet system. Both parallel (P) and antiparallel (AP) magnetic configurations are considered. Coulomb interaction and coherent spin flip (similar to a transverse magnetic...... field) are taken into account within the dot. We find that the interplay between Coulomb interaction and spin accumulation in the dot can result in a bias-dependent current polarization p. In particular, p can be suppressed in the P alignment and enhanced in the AP case depending on the bias voltage....... The coherent spin flip can also result in a switch of the current polarization from the emitter to the collector lead. Interestingly, for a particular set of parameters it is possible to have a polarized current in the collector and an unpolarized current in the emitter lead. We also found a suppression...

A hybrid method for the parallel computation of Green's functions

International Nuclear Information System (INIS)

Petersen, Dan Erik; Li Song; Stokbro, Kurt; Sorensen, Hans Henrik B.; Hansen, Per Christian; Skelboe, Stig; Darve, Eric

2009-01-01

Quantum transport models for nanodevices using the non-equilibrium Green's function method require the repeated calculation of the block tridiagonal part of the Green's and lesser Green's function matrices. This problem is related to the calculation of the inverse of a sparse matrix. Because of the large number of times this calculation needs to be performed, this is computationally very expensive even on supercomputers. The classical approach is based on recurrence formulas which cannot be efficiently parallelized. This practically prevents the solution of large problems with hundreds of thousands of atoms. We propose new recurrences for a general class of sparse matrices to calculate Green's and lesser Green's function matrices which extend formulas derived by Takahashi and others. We show that these recurrences may lead to a dramatically reduced computational cost because they only require computing a small number of entries of the inverse matrix. Then, we propose a parallelization strategy for block tridiagonal matrices which involves a combination of Schur complement calculations and cyclic reduction. It achieves good scalability even on problems of modest size.

Comparison of Green-Kubo and nonequilibrium calculations of the self-diffusion constant of a Lennard-Jones fluid

International Nuclear Information System (INIS)

Erpenbeck, J.J.

1987-01-01

We apply the so-called ''synthetic'' nonequilibrium molecular-dynamics method to the calculation of the self-diffusion constant of a Lennard-Jones fluid at a number density of 0.85/σ 3 and a temperature of 1.08 epsilon-c/k/sub B/ (where epsilon-c and σ are the energy and length parameters of the potential and k/sub B/ is the Boltzmann constant). By comparing with the Green-Kubo calculation for the same state of the system and for the same number of particles, N, we find the latter calculation to yield more precise values of the self-diffusion constant for a given number of molecular-dynamics time steps. Even at small values of the diffusion current, a nontrivial time is needed for the nonequilibrium calculation to reach the steady state. For larger values of the driving force, the steady-state flow appears to become unstable and evidence of a secondary flow pattern is presented. The presence of these instabilities acts as a limit to the range of the driving force for which the steady-state method can be applied. With increasing N the range of stable values of the diffusion current density decreases. For the Green-Kubo calculations, the N dependence of the self-diffusion constant is found to be anomalous for N = 108, with the 1/N dependence only exhibited for at least 500 particles. The nonequilibrium results, while approximately independent of N for 108 and 500 particles, are found to have a similar anomalous N dependence when we extend the calculations to 1372 particles, thereby bringing the Green-Kubo and nonequilibrium results into agreement in the large-system limit

Design of three-well indirect pumping terahertz quantum cascade lasers for high optical gain based on nonequilibrium Green's function analysis

Science.gov (United States)

Liu, Tao; Kubis, Tillmann; Jie Wang, Qi; Klimeck, Gerhard

2012-03-01

The nonequilibrium Green's function approach is applied to the design of three-well indirect pumping terahertz (THz) quantum cascade lasers (QCLs) based on a resonant phonon depopulation scheme. The effects of the anticrossing of the injector states and the dipole matrix element of the laser levels on the optical gain of THz QCLs are studied. The results show that a design that results in a more pronounced anticrossing of the injector states will achieve a higher optical gain in the indirect pumping scheme compared to the traditional resonant-tunneling injection scheme. This offers in general a more efficient coherent resonant-tunneling transport of electrons in the indirect pumping scheme. It is also shown that, for operating temperatures below 200 K and low lasing frequencies, larger dipole matrix elements, i.e., vertical optical transitions, offer a higher optical gain. In contrast, in the case of high lasing frequencies, smaller dipole matrix elements, i.e., diagonal optical transitions are better for achieving a higher optical gain.

Nonlinear and Nonequilibrium Spin Injection in Magnetic Tunneling Junctions

Science.gov (United States)

Guo, Hong

2007-03-01

Quantitative analysis of charge and spin quantum transport in spintronic devices requires an atomistic first principles approach that can handle nonlinear and nonequilibrium transport conditions. We have developed an approach for this purpose based on real space density functional theory (DFT) carried out within the Keldysh nonequilibrium Green's function formalism (NEGF). We report theoretical analysis of nonlinear and nonequilibrium spin injection and quantum transport in Fe/MgO/Fe trilayer structures as a function of external bias voltage. Devices with well relaxed atomic structures and with FeO oxidization layers are investigated as a function of external bias voltage. We also report calculations of nonequilibrium spin injection into molecular layers and graphene. Comparisons to experimental data will be presented. Work in collaborations with: Derek Waldron, Vladimir Timochevski (McGill University); Ke Xia (Institute of Physics, Chinese Academy of Science, Beijing, China); Eric Zhu, Jian Wang (University of Hong Kong); Paul Haney, and Allan MacDonald (University of Texas at Austin).

Introduction to nonequilibrium statistical mechanics with quantum field theory

International Nuclear Information System (INIS)

Kita, Takafumi

2010-01-01

In this article, we present a concise and self-contained introduction to nonequilibrium statistical mechanics with quantum field theory by considering an ensemble of interacting identical bosons or fermions as an example. Readers are assumed to be familiar with the Matsubara formalism of equilibrium statistical mechanics such as Feynman diagrams, the proper self-energy, and Dyson's equation. The aims are threefold: (1) to explain the fundamentals of nonequilibrium quantum field theory as simple as possible on the basis of the knowledge of the equilibrium counterpart; (2) to elucidate the hierarchy in describing nonequilibrium systems from Dyson's equation on the Keldysh contour to the Navier-Stokes equation in fluid mechanics via quantum transport equations and the Boltzmann equation; (3) to derive an expression of nonequilibrium entropy that evolves with time. In stage (1), we introduce nonequilibrium Green's function and the self-energy uniquely on the round-trip Keldysh contour, thereby avoiding possible confusions that may arise from defining multiple Green's functions at the very beginning. We try to present the Feynman rules for the perturbation expansion as simple as possible. In particular, we focus on the self-consistent perturbation expansion with the Luttinger-Ward thermodynamic functional, i.e., Baym's Φ-derivable approximation, which has a crucial property for nonequilibrium systems of obeying various conservation laws automatically. We also show how the two-particle correlations can be calculated within the Φ-derivable approximation, i.e., an issue of how to handle the 'Bogoliubov-Born-Green-Kirkwood-Yvons (BBGKY) hierarchy'. Aim (2) is performed through successive reductions of relevant variables with the Wigner transformation, the gradient expansion based on the Groenewold-Moyal product, and Enskog's expansion from local equilibrium. This part may be helpful for convincing readers that nonequilibrium systems can be handled microscopically with

The closed time-path Green function formalism in many-body theory

International Nuclear Information System (INIS)

Guang-zhao Zhou; Zhao-bin Su; Bai-lin Hao; Lu Yu.

1983-09-01

The closed time-path Green function formalism, developed by our group during recent years, is briefly reviewed. The generating functional technique, the coupled equations for the order parameter and the elementary excitations as well as the systematic loop expansion are outlined. The applications to critical dynamics, quenched random systems, nonlinear response theory, superconductivity, laser system and quasi-one-dimensional conductors are described. The theoretical approach developed can be applied to both equilibrium and non-equilibrium many-body systems. (author)

Long and short time quantum dynamics: I. Between Green's functions and transport equations

Czech Academy of Sciences Publication Activity Database

Špička, Václav; Velický, Bedřich; Kalvová, Anděla

2005-01-01

Roč. 29, - (2005), s. 154-174 ISSN 1386-9477 R&D Projects: GA ČR(CZ) GA202/04/0585; GA AV ČR(CZ) IAA1010404 Institutional research plan: CEZ:AV0Z10100521; CEZ:AV0Z10100520 Keywords : non-equilibrium * Green functions * quantum transport * density functional the ory Subject RIV: BE - The oretical Physics Impact factor: 0.946, year: 2005

Non-equilibrium dynamics of open systems and fluctuation-dissipation theorems

Czech Academy of Sciences Publication Activity Database

Špička, Václav; Velický, B.; Kalvová, Anděla

2017-01-01

Roč. 65, 6-8 (2017), s. 1-23, č. článku 1700032. ISSN 0015-8208 Institutional support: RVO:68378271 Keywords : non-equilibrium * fluctuation-dissipation theorems * non-equilibrium Greens function * transient and steady state magnetic current * molecular bridge Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics ( physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 2.434, year: 2016

A Floquet-Green's function approach to mesoscopic transport under ac bias

International Nuclear Information System (INIS)

Wu, B H; Cao, J C

2008-01-01

The current response of a mesoscopic system under a periodic ac bias is investigated by combining the Floquet theorem and the nonequilibrium Green's function method. The band structure of the lead under ac bias is fully taken into account by using appropriate self-energies in an enlarged Floquet space. Both the retarded and lesser Green's functions are obtained in the Floquet basis to account for the interference and interaction effects. In addition to the external ac bias, the time-varying Coulomb interaction, which is treated at the self-consistent Hartree-Fock level, provides another internal ac field. The numerical results show that the time-varying Coulomb field yields decoherence and reduces the ringing behavior of the current response to a harmonic bias

Statistical mechanics of nonequilibrium liquids

CERN Document Server

Evans, Denis J; Craig, D P; McWeeny, R

1990-01-01

Statistical Mechanics of Nonequilibrium Liquids deals with theoretical rheology. The book discusses nonlinear response of systems and outlines the statistical mechanical theory. In discussing the framework of nonequilibrium statistical mechanics, the book explains the derivation of a nonequilibrium analogue of the Gibbsian basis for equilibrium statistical mechanics. The book reviews the linear irreversible thermodynamics, the Liouville equation, and the Irving-Kirkwood procedure. The text then explains the Green-Kubo relations used in linear transport coefficients, the linear response theory,

Fragmentation function in non-equilibrium QCD using closed-time path integral formalism

International Nuclear Information System (INIS)

Nayak, Gouranga C.

2009-01-01

In this paper we implement the Schwinger-Keldysh closed-time path integral formalism in non-equilibrium QCD in accordance to the definition of the Collins-Soper fragmentation function. We consider a high-p T parton in QCD medium at initial time τ 0 with an arbitrary non-equilibrium (non-isotropic) distribution function f(vector (p)) fragmenting to a hadron. We formulate the parton-to-hadron fragmentation function in non-equilibrium QCD in the light-cone quantization formalism. It may be possible to include final-state interactions with the medium via a modification of the Wilson lines in this definition of the non-equilibrium fragmentation function. This may be relevant to the study of hadron production from a quark-gluon plasma at RHIC and LHC. (orig.)

Spin-polarization and spin-dependent logic gates in a double quantum ring based on Rashba spin-orbit effect: Non-equilibrium Green's function approach

International Nuclear Information System (INIS)

Eslami, Leila; Esmaeilzadeh, Mahdi

2014-01-01

Spin-dependent electron transport in an open double quantum ring, when each ring is made up of four quantum dots and threaded by a magnetic flux, is studied. Two independent and tunable gate voltages are applied to induce Rashba spin-orbit effect in the quantum rings. Using non-equilibrium Green's function formalism, we study the effects of electron-electron interaction on spin-dependent electron transport and show that although the electron-electron interaction induces an energy gap, it has no considerable effect when the bias voltage is sufficiently high. We also show that the double quantum ring can operate as a spin-filter for both spin up and spin down electrons. The spin-polarization of transmitted electrons can be tuned from −1 (pure spin-down current) to +1 (pure spin-up current) by changing the magnetic flux and/or the gates voltage. Also, the double quantum ring can act as AND and NOR gates when the system parameters such as Rashba coefficient are properly adjusted

Quantum distribution function of nonequilibrium system

International Nuclear Information System (INIS)

Sogo, Kiyoshi; Fujimoto, Yasushi.

1990-03-01

A path integral representation is derived for the Wigner distribution function of a nonequilibrium system coupled with heat bath. Under appropriate conditions, the Wigner distribution function approaches an equilibrium distribution, which manifests shifting and broadening of spectral lines due to the interaction with heat bath. It is shown that the equilibrium distribution becomes the quantum canonical distribution in the vanishing coupling constant limit. (author)

On nonequilibrium many-body systems. 1: The nonequilibrium statistical operator method

International Nuclear Information System (INIS)

Algarte, A.C.S.; Vasconcellos, A.R.; Luzzi, R.; Sampaio, A.J.C.

1985-01-01

The theoretical aspects involved in the treatment of many-body systems strongly departed from equilibrium are discussed. The nonequilibrium statistical operator (NSO) method is considered in detail. Using Jaynes' maximum entropy formalism complemented with an ad hoc hypothesis a nonequilibrium statistical operator is obtained. This approach introduces irreversibility from the outset and we recover statistical operators like those of Green-Mori and Zubarev as particular cases. The connection with Generalized Thermodynamics and the construction of nonlinear transport equations are briefly described. (Author) [pt

Analytical determination of Kondo and Fano resonances of electron Green's function in a single-level quantum dot

International Nuclear Information System (INIS)

Nguyen Bich Ha; Nguyen Van Hop

2009-01-01

The Kondo and Fano resonances in the two-point Green's function of the single-level quantum dot were found and investigated in many previous works by means of different numerical calculation methods. In this work we present the derivation of the analytical expressions of resonance terms in the expression of the two-point Green's function. For that purpose the system of Dyson equations for the two-point nonequilibrium Green's functions in the complex-time Keldysh formalism was established in the second order with respect to the tunneling coupling constants and the mean field approximation. This system of Dyson equations was solved exactly and the analytical expressions of the resonance terms are derived. The conditions for the existence of Kondo or Fano resonances are found.

Quantum statistical field theory an introduction to Schwinger's variational method with Green's function nanoapplications, graphene and superconductivity

CERN Document Server

Morgenstern Horing, Norman J

2017-01-01

This book provides an introduction to the methods of coupled quantum statistical field theory and Green's functions. The methods of coupled quantum field theory have played a major role in the extensive development of nonrelativistic quantum many-particle theory and condensed matter physics. This introduction to the subject is intended to facilitate delivery of the material in an easily digestible form to advanced undergraduate physics majors at a relatively early stage of their scientific development. The main mechanism to accomplish this is the early introduction of variational calculus and the Schwinger Action Principle, accompanied by Green's functions. Important achievements of the theory in condensed matter and quantum statistical physics are reviewed in detail to help develop research capability. These include the derivation of coupled field Green's function equations-of-motion for a model electron-hole-phonon system, extensive discussions of retarded, thermodynamic and nonequilibrium Green's functions...

Carrier transport in THz quantum cascade lasers: Are Green's functions necessary?

International Nuclear Information System (INIS)

Matyas, A; Jirauschek, C; Kubis, T; Lugli, P

2009-01-01

We have applied two different simulation models for the stationary carrier transport and optical gain analysis in resonant phonon depopulation THz Quantum Cascade Lasers (QCLs), based on the semiclassical ensemble Monte Carlo (EMC) and fully quantum mechanical non-equilibrium Green's functions (NEGF) method, respectively. We find in the incoherent regime near and above the threshold current a qualitative and quantitative agreement of both methods. Therefore, we show that THz-QCLs can be successfully optimized utilizing the numerically efficient EMC method.

Nonequilibrium fluctuation-dissipation relations for one- and two-particle correlation functions in steady-state quantum transport

International Nuclear Information System (INIS)

Ness, H.; Dash, L. K.

2014-01-01

We study the non-equilibrium (NE) fluctuation-dissipation (FD) relations in the context of quantum thermoelectric transport through a two-terminal nanodevice in the steady-state. The FD relations for the one- and two-particle correlation functions are derived for a model of the central region consisting of a single electron level. Explicit expressions for the FD relations of the Green's functions (one-particle correlations) are provided. The FD relations for the current-current and charge-charge (two-particle) correlations are calculated numerically. We use self-consistent NE Green's functions calculations to treat the system in the absence and in the presence of interaction (electron-phonon) in the central region. We show that, for this model, there is no single universal FD theorem for the NE steady state. There are different FD relations for each different class of problems. We find that the FD relations for the one-particle correlation function are strongly dependent on both the NE conditions and the interactions, while the FD relations of the current-current correlation function are much less dependent on the interaction. The latter property suggests interesting applications for single-molecule and other nanoscale transport experiments

Non-equilibrium magnetic interactions in strongly correlated systems

Energy Technology Data Exchange (ETDEWEB)

Secchi, A., E-mail: a.secchi@science.ru.nl [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands); Brener, S.; Lichtenstein, A.I. [Institut für Theoretische Physik, Universitat Hamburg, Jungiusstraße 9, D-20355 Hamburg (Germany); Katsnelson, M.I. [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands)

2013-06-15

We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii–Moriya coupling, but is not due to spin–orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well. -- Highlights: •We develop a theory for magnetism of strongly correlated systems out of equilibrium. •Our theory is suitable for laser-induced ultrafast magnetization dynamics. •We write time-dependent exchange parameters in terms of electronic Green functions. •We find a new magnetic interaction, a “twist exchange”. •We give general expressions for magnetic noise in itinerant-electron systems.

Ab initio nonequilibrium quantum transport and forces with the real-space projector augmented wave method

DEFF Research Database (Denmark)

Chen, Jingzhe; Thygesen, Kristian S.; Jacobsen, Karsten W.

2012-01-01

We present an efficient implementation of a nonequilibrium Green's function method for self-consistent calculations of electron transport and forces in nanostructured materials. The electronic structure is described at the level of density functional theory using the projector augmented wave method...... over k points and real space makes the code highly efficient and applicable to systems containing several hundreds of atoms. The method is applied to a number of different systems, demonstrating the effects of bias and gate voltages, multiterminal setups, nonequilibrium forces, and spin transport....

Shear Viscosity of Benzene, Toluene, and p-Xylene by Non-equilibrium Molecular Dynamics Simulations

International Nuclear Information System (INIS)

Lee, Song Hi

2004-01-01

Green and Kubo showed that the phenomenological coefficients describing many transport processes and time dependent phenomena in general could be written as integrals over a certain type of function called a time correlation function. The Green-Kubo formulas are the formal expressions for hydrodynamic field variables and some of the thermodynamic properties in terms of the microscopic variables of an N-particle system. The identification of microscopic expressions for macroscopic variables is made by a process of comparison of the conservation equations of hydrodynamics with the microscopic equations of change for conserved densities. The importance of these formulas is three-fold: they provide an obvious method for calculating transport coefficients using computer simulation, a convenient starting point for constructing analytic theories for non-equilibrium processes, and an essential information for designing non-equilibrium molecular dynamics (NEMD) algorithm.

Calculation of the mutual diffusion coefficient by equilibrium and nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Erpenbeck, J.J.; Kincaid, J.M.

1986-01-01

A nonequilibrium molecular dynamics method for the calculation of the mutual diffusion coefficient for a mixture of hard spheres is described. The method is applied to a 50-50 mixture of equidiameter particles having a mass ratio of 0.1 for the two species, at a volume of three times close-packing. By extrapolating the results to the limit of vanishing concentration gradient and infinite system size, we obtain a value in statistical agreement with the result obtained using a Green-Kubo molecular dynamics procedure, which is also described. The nonequilibrium calculation yields a mutual diffusion coefficient which decreases slightly with increasing concentration gradient. The Green-Kubo timecorrelation function for mutual diffusion displays a slow decay with time, qualitatively similar to the long-time tail which has been predicted by the hydrodynamic theory of Pomeau

A corrected NEGF + DFT approach for calculating electronic transport through molecular devices: Filling bound states and patching the non-equilibrium integration

International Nuclear Information System (INIS)

Li Rui; Zhang Jiaxing; Hou Shimin; Qian Zekan; Shen Ziyong; Zhao Xingyu; Xue Zengquan

2007-01-01

We discuss two problems in the conventional approach for studying charge transport in molecular electronic devices that is based on the non-equilibrium Green's function formalism and density functional theory, i.e., the bound states and the numerical integration of the non-equilibrium density matrix. A scheme of filling the bound states in the bias window and a method of patching the non-equilibrium integration are proposed, both of which are referred to as the non-equilibrium correction. The discussion is illustrated by means of calculations on a model system consisting of a 4,4 bipyridine molecule connected to two semi-infinite gold monatomic chains

Carrier transport in THz quantum cascade lasers: Are Green's functions necessary?

Energy Technology Data Exchange (ETDEWEB)

Matyas, A; Jirauschek, C [Emmy Noether Research Group ' Modeling of Quantum Cascade Devices' , TU Muenchen, D-80333 Muenchen (Germany); Kubis, T [Walter Schottky Institute, TU Muenchen, D-85748 Garching (Germany); Lugli, P, E-mail: alparmat@mytum.d [Institute of Nanoelectronics, TU Muenchen, D-80333 Muenchen (Germany)

2009-11-15

We have applied two different simulation models for the stationary carrier transport and optical gain analysis in resonant phonon depopulation THz Quantum Cascade Lasers (QCLs), based on the semiclassical ensemble Monte Carlo (EMC) and fully quantum mechanical non-equilibrium Green's functions (NEGF) method, respectively. We find in the incoherent regime near and above the threshold current a qualitative and quantitative agreement of both methods. Therefore, we show that THz-QCLs can be successfully optimized utilizing the numerically efficient EMC method.

Kinetic equations within the formalism of non-equilibrium thermo field dynamics

International Nuclear Information System (INIS)

Arimitsu, Toshihico

1988-01-01

After reviewing the real-time formalism of dissipative quantum field theory, i.e. non-equilibrium thermo field dynamics (NETFD), a kinetic equation, a self-consistent equation for the dissipation coefficient and a ''mass'' or ''chemical potential'' renormalization equation for non-equilibrium transient situations are extracted out of the two-point Green's function of the Heisenberg field, in their most general forms upon the basic requirements of NETFD. The formulation is applied to the electron-phonon system, as an example, where the gradient expansion and the quasi-particle approximation are performed. The formalism of NETFD is reinvestigated in connection with the kinetic equations. (orig.)

Calculation of the mutual diffusion coefficient by equilibrium and nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Erpenbeck, J.J.; Kincaid, J.M.

1985-01-01

A nonequilibrium molecular dynamics method for the calculation of the mutual diffusion coefficient for a mixture of hard spheres is described. The method is applied to a 50-50 mixture of equidiameter particles having a mass ratio of 0.1 for the two species, at a volume of three times close-packing. By extrapolating the results to the limit of vanishing concentration gradient and infinite system size, we obtain a value in statistical agreement with the result obtained using a Green-Kubo molecular dynamics procedure which is also described. The nonequilibrium calculation yields a mutual diffusion coefficient which decreases slightly with increasing concentration gradient. The Green-Kubo time correlation function for mutual diffusion displays a slow decay with time, qualitatively similar to the long-time tail which has been predicted by the hydrodynamic theory of Pomeau

Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

Directory of Open Access Journals (Sweden)

Akira Takada

2018-03-01

Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

Electrical Conductivity of Charged Particle Systems and Zubarev's Nonequilibrium Statistical Operator Method

Science.gov (United States)

Röpke, G.

2018-01-01

One of the fundamental problems in physics that are not yet rigorously solved is the statistical mechanics of nonequilibrium processes. An important contribution to describing irreversible behavior starting from reversible Hamiltonian dynamics was given by D. N. Zubarev, who invented the method of the nonequilibrium statistical operator. We discuss this approach, in particular, the extended von Neumann equation, and as an example consider the electrical conductivity of a system of charged particles. We consider the selection of the set of relevant observables. We show the relation between kinetic theory and linear response theory. Using thermodynamic Green's functions, we present a systematic treatment of correlation functions, but the convergence needs investigation. We compare different expressions for the conductivity and list open questions.

Adiabatic Hamiltonian deformation, linear response theory, and nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Hoover, W.G.

1980-01-01

Although Hamiltonians of various kinds have previously been used to derive Green-Kubo relations for the transport coefficients, the particular choice described is uniquely related to thermodynamics. This nonequilibrium Hamiltonian formulation of fluid flow provides pedagogically simple routes to nonequilibrium fluxes and distribution functions, to theoretical understanding of long-time effects, and to new numerical methods for simulating systems far from equilibrium. The same methods are now being applied to solid-phase problems. At the relatively high frequencies used in the viscous fluid calculations described, solids typically behave elastically. Lower frequencies lead to the formation of dislocations and other defects, making it possible to study plastic flow. A property of the nonequilibrium equations of motion which might be profitably explored is their effective irreversibility. Because only a few particles are necessary to generate irreversible behavior, simulations using adiabatic deformations of the kind described here could perhaps elucidate the instability in the equations of motion responsible for irreversibility

Nonequilibrium molecular dynamics: The first 25 years

International Nuclear Information System (INIS)

Hoover, W.G.

1992-08-01

Equilibrium Molecular Dynamics has been generalized to simulate Nonequilibrium systems by adding sources of thermodynamic heat and work. This generalization incorporates microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress, and augments atomistic forces with special boundary, constraint, and driving forces capable of doing work on, and exchanging heat with, an otherwise Newtonian system. The underlying Lyapunov instability of these nonequilibrium equations of motion links microscopic time-reversible deterministic trajectories to macroscopic time-irreversible hydrodynamic behavior as described by the Second Law of Thermodynamics. Green-Kubo linear-response theory has been checked. Nonlinear plastic deformation, intense heat conduction, shockwave propagation, and nonequilibrium phase transformation have all been simulated. The nonequilibrium techniques, coupled with qualitative improvements in parallel computer hardware, are enabling simulations to approximate real-world microscale and nanoscale experiments

A predictive analytic model for high-performance tunneling field-effect transistors approaching non-equilibrium Green's function simulations

International Nuclear Information System (INIS)

Salazar, Ramon B.; Appenzeller, Joerg; Ilatikhameneh, Hesameddin; Rahman, Rajib; Klimeck, Gerhard

2015-01-01

A new compact modeling approach is presented which describes the full current-voltage (I-V) characteristic of high-performance (aggressively scaled-down) tunneling field-effect-transistors (TFETs) based on homojunction direct-bandgap semiconductors. The model is based on an analytic description of two key features, which capture the main physical phenomena related to TFETs: (1) the potential profile from source to channel and (2) the elliptic curvature of the complex bands in the bandgap region. It is proposed to use 1D Poisson's equations in the source and the channel to describe the potential profile in homojunction TFETs. This allows to quantify the impact of source/drain doping on device performance, an aspect usually ignored in TFET modeling but highly relevant in ultra-scaled devices. The compact model is validated by comparison with state-of-the-art quantum transport simulations using a 3D full band atomistic approach based on non-equilibrium Green's functions. It is shown that the model reproduces with good accuracy the data obtained from the simulations in all regions of operation: the on/off states and the n/p branches of conduction. This approach allows calculation of energy-dependent band-to-band tunneling currents in TFETs, a feature that allows gaining deep insights into the underlying device physics. The simplicity and accuracy of the approach provide a powerful tool to explore in a quantitatively manner how a wide variety of parameters (material-, size-, and/or geometry-dependent) impact the TFET performance under any bias conditions. The proposed model presents thus a practical complement to computationally expensive simulations such as the 3D NEGF approach

Nonequilibrium self-energy functional theory. Accessing the real-time dynamics of strongly correlated fermionic lattice systems

Energy Technology Data Exchange (ETDEWEB)

Hofmann, Felix

2016-07-05

The self-energy functional theory (SFT) is extended to the nonequilibrium case and applied to the real-time dynamics of strongly correlated lattice-fermions. Exploiting the basic structure of the well established equilibrium theory the entire formalism is reformulated in the language of Keldysh-Matsubara Green's functions. To this end, a functional of general nonequilibrium self-energies is constructed which is stationary at the physical point where it moreover yields the physical grand potential of the initial thermal state. Nonperturbative approximations to the full self-energy can be constructed by reducing the original lattice problem to smaller reference systems and varying the functional on the space of the respective trial self-energies, which are parametrized by the reference system's one-particle parameters. Approximations constructed in this way can be shown to respect the macroscopic conservation laws related to the underlying symmetries of the original lattice model. Assuming thermal equilibrium, the original SFT is recovered from the extended formalism. However, in the general case, the nonequilibrium variational principle comprises functional derivatives off the physical parameter space. These can be carried out analytically to derive inherently causal conditional equations for the optimal physical parameters of the reference system and a computationally realizable propagation scheme is set up. As a benchmark for the numerical implementation the variational cluster approach is applied to the dynamics of a dimerized Hubbard model after fast ramps of its hopping parameters. Finally, the time-evolution of a homogeneous Hubbard model after sudden quenches and ramps of the interaction parameter is studied by means of a dynamical impurity approximation with a single bath site. Sharply separated by a critical interaction at which fast relaxation to a thermal final state is observed, two differing response regimes can be distinguished, where the

Nonequilibrium excitations and transport of Dirac electrons in electric-field-driven graphene

Science.gov (United States)

Li, Jiajun; Han, Jong E.

2018-05-01

We investigate nonequilibrium excitations and charge transport in charge-neutral graphene driven with dc electric field by using the nonequilibrium Green's-function technique. Due to the vanishing Fermi surface, electrons are subject to nontrivial nonequilibrium excitations such as highly anisotropic momentum distribution of electron-hole pairs, an analog of the Schwinger effect. We show that the electron-hole excitations, initiated by the Landau-Zener tunneling with a superlinear I V relation I ∝E3 /2 , reaches a steady state dominated by the dissipation due to optical phonons, resulting in a marginally sublinear I V with I ∝E , in agreement with recent experiments. The linear I V starts to show the sign of current saturation as the graphene is doped away from the Dirac point, and recovers the semiclassical relation for the saturated velocity. We give a detailed discussion on the nonequilibrium charge creation and the relation between the electron-phonon scattering rate and the electric field in the steady-state limit. We explain how the apparent Ohmic I V is recovered near the Dirac point. We propose a mechanism where the peculiar nonequilibrium electron-hole creation can be utilized in a infrared device.

Lyapunov Functions, Stationary Distributions, and Non-equilibrium Potential for Reaction Networks

DEFF Research Database (Denmark)

Anderson, David F; Craciun, Gheorghe; Gopalkrishnan, Manoj

2015-01-01

We consider the relationship between stationary distributions for stochastic models of reaction systems and Lyapunov functions for their deterministic counterparts. Specifically, we derive the well-known Lyapunov function of reaction network theory as a scaling limit of the non-equilibrium potent...

Green function on product networks

OpenAIRE

Arauz Lombardía, Cristina; Carmona Mejías, Ángeles; Encinas Bachiller, Andrés Marcos

2012-01-01

Our objective is to determine the Green function of product networks in terms of the Green function of one of the factor networks and the eigenvalues and eigenfunctions of the Schr odinger operator of the other factor network, which we consider that are known. Moreover, we use these results to obtain the Green function of spider networks in terms of Green functions over cicles and paths. Peer Reviewed

Low rank approximation method for efficient Green's function calculation of dissipative quantum transport

Science.gov (United States)

Zeng, Lang; He, Yu; Povolotskyi, Michael; Liu, XiaoYan; Klimeck, Gerhard; Kubis, Tillmann

2013-06-01

In this work, the low rank approximation concept is extended to the non-equilibrium Green's function (NEGF) method to achieve a very efficient approximated algorithm for coherent and incoherent electron transport. This new method is applied to inelastic transport in various semiconductor nanodevices. Detailed benchmarks with exact NEGF solutions show (1) a very good agreement between approximated and exact NEGF results, (2) a significant reduction of the required memory, and (3) a large reduction of the computational time (a factor of speed up as high as 150 times is observed). A non-recursive solution of the inelastic NEGF transport equations of a 1000 nm long resistor on standard hardware illustrates nicely the capability of this new method.

Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations

CERN Document Server

Riotto, Antonio

1998-01-01

The closed time-path (CPT) formalism is a powerful Green's function formulation to describe nonequilibrium phenomena in field theory and it leads to a complete nonequilibrium quantum kinetic theory. In this paper we make use of the CPT formalism to write down a set of quantum Boltzmann equations describing the local number density asymmetries of the particles involved in supersymmetric electroweak baryogenesis. These diffusion equations automatically and self-consistently incorporate the CP-violating sources which fuel baryogenesis when transport properties allow the CP-violating charges to diffuse in front of the bubble wall separating the broken from the unbroken phase at the electroweak phase transition. This is a significant improvement with respect to recent approaches where the CP-violating sources are inserted by hand into the diffusion equations. Furthermore, the CP-violating sources and the particle number changing interactions manifest ``memory'' effects which are typical of the quantum transp ort t...

Two-proton correlation functions for equilibrium and non-equilibrium emission

International Nuclear Information System (INIS)

Gong, W.G.; Gelbke, C.K.; Carlin, N.; De Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.; Tsang, M.B.; Xu, H.M.; Michigan State Univ., East Lansing; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.; Indiana Univ., Bloomington; Indiana Univ., Bloomington; Pratt, S.

1990-01-01

Two-proton correlation functions are compared for equilibrium and non-equilibrium emission processes investigated, respectively, in ''reverse kinematics'' for the reactions 129 Xe+ 27 Al and 129 Xe+ 122 Sn at E/A=31 MeV and in ''forward kinematics'' for the reaction 14 N+ 197 Au at E/A=75 MeV. Observed differences in the shapes of the correlation functions are understood in terms of the different time scales for equilibrium and preequilibrium emission. Transverse and longitudinal correlation functions are very similar. (orig.)

Exciton correlations and input–output relations in non-equilibrium exciton superfluids

International Nuclear Information System (INIS)

Ye, Jinwu; Sun, Fadi; Yu, Yi-Xiang; Liu, Wuming

2013-01-01

The photoluminescence (PL) measurements on photons and the transport measurements on excitons are the two types of independent and complementary detection tools to search for possible exciton superfluids in electron–hole semi-conductor bilayer systems. In fact, it was believed that the transport measurements can provide more direct evidences on superfluids than the spectroscopic measurements. It is important to establish the relations between the two kinds of measurements. In this paper, using quantum Heisenberg–Langevin equations, we establish such a connection by calculating various exciton correlation functions in the putative exciton superfluids. These correlation functions include both normal and anomalous greater, lesser, advanced, retarded, and time-ordered exciton Green functions and also various two exciton correlation functions. We also evaluate the corresponding normal and anomalous spectral weights and the Keldysh distribution functions. We stress the violations of the fluctuation and dissipation theorem among these various exciton correlation functions in the non-equilibrium exciton superfluids. We also explore the input–output relations between various exciton correlation functions and those of emitted photons such as the angle resolved photon power spectrum, phase sensitive two mode squeezing spectrum and two photon correlations. Applications to possible superfluids in the exciton–polariton systems are also mentioned. For a comparison, using conventional imaginary time formalism, we also calculate all the exciton correlation functions in an equilibrium dissipative exciton superfluid in the electron–electron coupled semi-conductor bilayers at the quantum Hall regime at the total filling factor ν T =1. We stress the analogies and also important differences between the correlations functions in the two exciton superfluid systems. - Highlights: ► Establish the relations between photoluminescence and transport measurements. ► Stress the

Green's functions in quantum physics

CERN Document Server

Economou, Eleftherios N

2006-01-01

The main part of this book is devoted to the simplest kind of Green's functions, namely the solutions of linear differential equations with a -function source. It is shown that these familiar Green's functions are a powerful tool for obtaining relatively simple and general solutions of basic problems such as scattering and bound-level information. The bound-level treatment gives a clear physical understanding of "difficult" questions such as superconductivity, the Kondo effect, and, to a lesser degree, disorder-induced localization. The more advanced subject of many-body Green's functions is presented in the last part of the book.

Green functions of vortex operators

International Nuclear Information System (INIS)

Polchinski, J.; California Univ., Berkeley

1981-01-01

We study the euclidean Green functions of the 't Hooft vortex operator, primarly for abelian gauge theories. The operator is written in terms of elementary fields, with emphasis on a form in which it appears as the exponential of a surface integral. We explore the requirement that the Green functions depend only on the boundary of this surface. The Dirac veto problem appears in a new guise. We present a two-dimensional solvable model of a Dirac string, which suggests a new solution of the veto problem. The renormalization of the Green functions of the abelian Wilson loop and abelian vortex operator is studied with the aid of the operator product expansion. In each case, an overall multiplication of the operator makes all Green functions finite; a surprising cancellation of divergences occurs with the vortex operator. We present a brief discussion of the relation between the nature of the vacuum and the cluster properties of the Green functions of the Wilson and vortex operators, for a general gauge theory. The surface-like cluster property of the vortex operator in an abelian Higgs theory is explored in more detail. (orig.)

Green's functions potential fields on surfaces

CERN Document Server

Melnikov, Yuri A

2017-01-01

This book is comprehensive in its classical mathematical physics presentation, providing the reader with detailed instructions for obtaining Green's functions from scratch. Green's functions is an instrument easily accessible to practitioners who are engaged in design and exploitation of machines and structures in modern engineering practice. To date, there are no books available on the market that are devoted to the Green's function formalism for equations covered in this volume. The reader, with an undergraduate background in applied mathematics, can become an active user of the Green's function approach. For the first time, Green's functions are discussed for a specific class of problems dealing with potential fields induced in thin-wall structures and therefore, the reader will have first-hand access to a novel issue. This Work is accessible to researchers in applied mathematics, mechanics, and relevant disciplines such as engineering, as well as to upper level undergraduates and graduate students.

Nonequilibrium phase diagram of a one-dimensional quasiperiodic system with a single-particle mobility edge

Science.gov (United States)

Purkayastha, Archak; Dhar, Abhishek; Kulkarni, Manas

2017-11-01

We investigate and map out the nonequilibrium phase diagram of a generalization of the well known Aubry-André-Harper (AAH) model. This generalized AAH (GAAH) model is known to have a single-particle mobility edge which also has an additional self-dual property akin to that of the critical point of the AAH model. By calculating the population imbalance, we get hints of a rich phase diagram. We also find a fascinating connection between single particle wave functions near the mobility edge of the GAAH model and the wave functions of the critical AAH model. By placing this model far from equilibrium with the aid of two baths, we investigate the open system transport via system size scaling of nonequilibrium steady state (NESS) current, calculated by fully exact nonequilibrium Green's function (NEGF) formalism. The critical point of the AAH model now generalizes to a `critical' line separating regions of ballistic and localized transport. Like the critical point of the AAH model, current scales subdiffusively with system size on the `critical' line (I ˜N-2 ±0.1 ). However, remarkably, the scaling exponent on this line is distinctly different from that obtained for the critical AAH model (where I ˜N-1.4 ±0.05 ). All these results can be understood from the above-mentioned connection between states near the mobility edge of the GAAH model and those of the critical AAH model. A very interesting high temperature nonequilibrium phase diagram of the GAAH model emerges from our calculations.

Scalar field Green functions on causal sets

International Nuclear Information System (INIS)

Nomaan Ahmed, S; Surya, Sumati; Dowker, Fay

2017-01-01

We examine the validity and scope of Johnston’s models for scalar field retarded Green functions on causal sets in 2 and 4 dimensions. As in the continuum, the massive Green function can be obtained from the massless one, and hence the key task in causal set theory is to first identify the massless Green function. We propose that the 2d model provides a Green function for the massive scalar field on causal sets approximated by any topologically trivial 2-dimensional spacetime. We explicitly demonstrate that this is indeed the case in a Riemann normal neighbourhood. In 4d the model can again be used to provide a Green function for the massive scalar field in a Riemann normal neighbourhood which we compare to Bunch and Parker’s continuum Green function. We find that the same prescription can also be used for de Sitter spacetime and the conformally flat patch of anti-de Sitter spacetime. Our analysis then allows us to suggest a generalisation of Johnston’s model for the Green function for a causal set approximated by 3-dimensional flat spacetime. (paper)

Binary operators and their Green's functions

International Nuclear Information System (INIS)

Sheff, J.R.

1982-01-01

Three topics are considered. First, the Langevin approach to neutron noise is used as a basis and guide to develop solutions and solution techniques for the ChapmanKolmogorov forward equation approach to neutron noise. The approach followed throughout this first part is that of solution by means of Green's functions. A particular form for the binary operator Green's function was picked on the basis of the Langevin method. Second, the basic solution technique using the particular Green's function form mentioned above is proven to be a correct and a general result. It is proven that the binary operator is always separable and that the Green's function could be written as the product of two single operator Green's functions. This is a new result. Third and finally, the forward equation approach of Chapman-Kolmogorov is generalized to include time allowing differential equations for second and higher order correlation functions to be developed directly. The principal result of the last section, the differential equation for correlation function of the neutron density, is new. Its derivation is really outside of or broader than the scope indicated by the title of the paper

The Green functions in curved spacetime

International Nuclear Information System (INIS)

Buchbinder, I.L.; Kirillova, E.N.; Odinstov, S.D.

1987-01-01

The theory of a free scalar field with conformal coupling in curved spacetime with some special metrics is considered. The integral representations for the green function G-tilde in the form of integrals with Schwinger-De Witt kernel over contours in the complex plane of proper time are obtained. It is shown how the transitions from a unique Green function in Euclidean space to different Green functions in Minkowski space and vice versa can be carried out. (author)

The Non-Equilibrium Statistical Distribution Function for Electrons and Holes in Semiconductor Heterostructures in Steady-State Conditions

Directory of Open Access Journals (Sweden)

Krzysztof Jόzwikowska

2015-06-01

Full Text Available The main goal of this work is to determine a statistical non-equilibrium distribution function for the electron and holes in semiconductor heterostructures in steady-state conditions. Based on the postulates of local equilibrium, as well as on the integral form of the weighted Gyarmati’s variational principle in the force representation, using an alternative method, we have derived general expressions, which have the form of the Fermi–Dirac distribution function with four additional components. The physical interpretation of these components has been carried out in this paper. Some numerical results of a non-equilibrium distribution function for an electron in HgCdTe structures are also presented.

Closed forms for conformally flat Green's functions

International Nuclear Information System (INIS)

Brown, M.R.; Grove, P.G.; Ottewill, A.C.

1981-01-01

A closed form is obtained for the massless scalar Green's function on Rindler space. This is related by conformal transformation to the Green's function for a massless, conformally coupled scalar field on the open Einstein universe. A closed form is also obtained for the corresponding Green's function on the Einstein static universe. (author)

Modeling the NPE with finite sources and empirical Green`s functions

Energy Technology Data Exchange (ETDEWEB)

Hutchings, L.; Kasameyer, P.; Goldstein, P. [Lawrence Livermore National Lab., CA (United States)] [and others

1994-12-31

In order to better understand the source characteristics of both nuclear and chemical explosions for purposes of discrimination, we have modeled the NPE chemical explosion as a finite source and with empirical Green`s functions. Seismograms are synthesized at four sties to test the validity of source models. We use a smaller chemical explosion detonated in the vicinity of the working point to obtain empirical Green`s functions. Empirical Green`s functions contain all the linear information of the geology along the propagation path and recording site, which are identical for chemical or nuclear explosions, and therefore reduce the variability in modeling the source of the larger event. We further constrain the solution to have the overall source duration obtained from point-source deconvolution results. In modeling the source, we consider both an elastic source on a spherical surface and an inelastic expanding spherical volume source. We found that the spherical volume solution provides better fits to observed seismograms. The potential to identify secondary sources was examined, but the resolution is too poor to be definitive.

Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations

International Nuclear Information System (INIS)

Bresme, F.; Armstrong, J.

2014-01-01

We report non-equilibrium molecular dynamics simulations of heat transport in models of molecular fluids. We show that the “local” thermal conductivities obtained from non-equilibrium molecular dynamics simulations agree within numerical accuracy with equilibrium Green-Kubo computations. Our results support the local equilibrium hypothesis for transport properties. We show how to use the local dependence of the thermal gradients to quantify the thermal conductivity of molecular fluids for a wide range of thermodynamic states using a single simulation

Green functions in Bianci-type spaces

International Nuclear Information System (INIS)

Bukhbinder, I.L.; Kirillova, E.N.

1988-01-01

The theory of free scalar field with conformal connection in distorted space - time with Bianci 1 type metrics is considered. The presentation of the Green functions G-tilde approximately in in in the form of integral from the Schwinger - De Witt kernel over the contour in the plane of complex values of eigentime is obtained. The way, in which the transfer from the Green function in space with Euclidean signature to the Green functions in space with Minkowski signature and vice versa is realized, has been shown

Green close-quote s function method with energy-independent vertex functions

International Nuclear Information System (INIS)

Tsay Tzeng, S.Y.; Kuo, T.T.; Tzeng, Y.; Geyer, H.B.; Navratil, P.

1996-01-01

In conventional Green close-quote s function methods the vertex function Γ is generally energy dependent. However, a model-space Green close-quote s function method where the vertex function is manifestly energy independent can be formulated using energy-independent effective interaction theories based on folded diagrams and/or similarity transformations. This is discussed in general and then illustrated for a 1p1h model-space Green close-quote s function applied to a solvable Lipkin many-fermion model. The poles of the conventional Green close-quote s function are obtained by solving a self-consistent Dyson equation and model space calculations may lead to unphysical poles. For the energy-independent model-space Green close-quote s function only the physical poles of the model problem are reproduced and are in satisfactory agreement with the exact excitation energies. copyright 1996 The American Physical Society

Nonequilibrium quantum field theories

International Nuclear Information System (INIS)

Niemi, A.J.

1988-01-01

Combining the Feynman-Vernon influence functional formalism with the real-time formulation of finite-temperature quantum field theories we present a general approach to relativistic quantum field theories out of thermal equilibrium. We clarify the physical meaning of the additional fields encountered in the real-time formulation of quantum statistics and outline diagrammatic rules for perturbative nonequilibrium computations. We derive a generalization of Boltzmann's equation which gives a complete characterization of relativistic nonequilibrium phenomena. (orig.)

Non-equilibrium dynamics from RPMD and CMD.

Science.gov (United States)

Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

2016-11-28

We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

Nonequilibrium green function approach to elastic and inelastic spin-charge transport in topological insulator-based heterostructures and magnetic tunnel junctions

Science.gov (United States)

Mahfouzi, Farzad

Current and future technological needs increasingly motivate the intensive scientific research of the properties of materials at the nano-scale. One of the most important domains in this respect at present concerns nano-electronics and its diverse applications. The great interest in this domain arises from the potential reduction of the size of the circuit components, maintaining their quality and functionality, and aiming at greater efficiency, economy, and storage characteristics for the corresponding physical devices. The aim of this thesis is to present a contribution to the analysis of the electronic charge and spin transport phenomena that occur at the quantum level in nano-structures. This thesis spans the areas of quantum transport theory through time-dependent systems, electron-boson interacting systems and systems of interest to spintronics. A common thread in the thesis is to develop the theoretical foundations and computational algorithms to numerically simulate such systems. In order to optimize the numerical calculations I resort to different techniques (such as graph theory in finding inverse of a sparse matrix, adaptive grids for integrations and programming languages (e.g., MATLAB and C++) and distributed computing tools (MPI, CUDA). Outline of the Thesis: After giving an introduction to the topics covered in this thesis in Chapter 1, I present the theoretical foundations to the field of non-equilibrium quantum statistics in Chapter 2. The applications of this formalism and the results are covered in the subsequent chapters as follows: Spin and charge quantum pumping in time-dependent systems: Covered in Chapters 3, 4 and 5, this topics was initially motivated by experiments on measuring voltage signal from a magnetic tunnel junction (MTJ) exposed to a microwave radiation in ferromagnetic resonance (FMR) condition. In Chapter 3 we found a possible explanation for the finite voltage signal measured from a tunnel junction consisting of only a single

Functional equations and Green's functions for augmented scalar fields

International Nuclear Information System (INIS)

Klauder, J.R.

1977-01-01

Certain noncanonical self-coupled scalar quantum field theories, previously formulated by means of functional integration, are herein recast into the form of functional differential equations for the Green's functional. From these expressions the set of coupled equations relating the Green's functions is obtained. The new equations are compared with those of the conventional formulation, and are proposed as alternatives, especially for nonrenormalizable models when the conventional equations fail

A monequillibrium mary-body systems IV: Respouse function theory

International Nuclear Information System (INIS)

Luzzi, R.; Vasconcellos, A.R.; Algarte, A.C.S.

1987-01-01

A response function theory for many-body systems arbitrarily away from equilibrium is presented. It is based on the nonequilibrium statistical operator method fully described in a previous article. A formal theory is presented evaluation of transition probabilties and the average values of dynamical quantities in far-from-equilibrium many-body systems under the action of external perturbations. A nonequilibrium thermodynamic Green's function algorithn appropriate for the calculation of response functions and scattering cross sections in terms of a generalized fluctuation-dissipation theorem for far-from-equilibrium systems is also derived. (author) [pt

Green's functions of solitons in heat bath

International Nuclear Information System (INIS)

Smilga, A.V.

1989-01-01

Soliton Green's functions at nonzero temperature are studied. Considering various model example it is shown that the Green's function pole position does not coincide generally speaking with free energy of a soliton. The Froelich polaron and the t'Hooft-Polyakov monopole the Green's function for which is in general a poorly defined concept as it involves an infinite imaginary part connected to the infinite total cross section of monopole scattering by electric charge are discussed. The pole position of the Green's function of the collective sphaleron excitation in the Glashow-Weinberg-Salem model does not as well coincide with the sphaleron free energy. 24 refs.; 9 figs

Non-equilibrium study of spin wave interference in systems with both Rashba and Dresselhaus (001) spin-orbit coupling

International Nuclear Information System (INIS)

Chen, Kuo-Chin; Su, Yu-Hsin; Chang, Ching-Ray; Chen, Son-Hsien

2014-01-01

We study the electron spin transport in two dimensional electron gas (2DEG) system with both Rashba and Dresselhaus (001) spin-orbital coupling (SOC). We assume spatial behavior of spin precession in the non-equilibrium transport regime, and study also quantum interference induced by non-Abelian spin-orbit gauge field. The method we adopt in this article is the non-equilibrium Green's function within a tight binding framework. We consider one ferromagnetic lead which injects spin polarized electron to a system with equal strength of Rashba and Dresselhaus (001) SOC, and we observe the persistent spin helix property. We also consider two ferromagnetic leads injecting spin polarized electrons into a pure Dresselhaus SOC system, and we observe the resultant spin wave interference pattern

Semiclassical initial value approximation for Green's function.

Science.gov (United States)

Kay, Kenneth G

2010-06-28

A semiclassical initial value approximation is obtained for the energy-dependent Green's function. For a system with f degrees of freedom the Green's function expression has the form of a (2f-1)-dimensional integral over points on the energy surface and an integral over time along classical trajectories initiated from these points. This approximation is derived by requiring an integral ansatz for Green's function to reduce to Gutzwiller's semiclassical formula when the integrations are performed by the stationary phase method. A simpler approximation is also derived involving only an (f-1)-dimensional integral over momentum variables on a Poincare surface and an integral over time. The relationship between the present expressions and an earlier initial value approximation for energy eigenfunctions is explored. Numerical tests for two-dimensional systems indicate that good accuracy can be obtained from the initial value Green's function for calculations of autocorrelation spectra and time-independent wave functions. The relative advantages of initial value approximations for the energy-dependent Green's function and the time-dependent propagator are discussed.

Green functions in an external electric field

International Nuclear Information System (INIS)

Gavrilov, S.P.; Gitman, D.M.; Shvartsman, Sh.M.

1979-01-01

In the framework of scalar quantum electrodynamics, when vacuum is unstable as to the birth of electron-positron couples, calculated have been Green functions for the case of stable homogeneous electric field. By summing corresponding solutions of the Klein-Gordon equation of the Green function are obtained in the form of contour integrals according to the proper time. Operation representations of all the calculated Green functions in the mentioned field are presented

Nonequilibrium Transport through a Spinful Quantum Dot with Superconducting Leads

DEFF Research Database (Denmark)

Andersen, Brian Møller; Flensberg, Karsten; Koerting, Verena

2011-01-01

We study the nonlinear cotunneling current through a spinful quantum dot contacted by two superconducting leads. Applying a general nonequilibrium Green function formalism to an effective Kondo model, we study the rich variation in the IV characteristics with varying asymmetry in the tunnel...... coupling to source and drain electrodes. The current is found to be carried, respectively, by multiple Andreev reflections in the symmetric limit, and by spin-induced Yu-Shiba-Rusinov bound states in the strongly asymmetric limit. The interplay between these two mechanisms leads to qualitatively different...... IV characteristics in the crossover regime of intermediate symmetry, consistent with recent experimental observations of negative differential conductance and repositioned conductance peaks in subgap cotunneling spectroscopy....

Transient magnetic currents through a molecular bridge: limits to reduction of non-equilibrium Green's functions to a generalized master equation

Czech Academy of Sciences Publication Activity Database

Kalvová, Anděla; Velický, B.; Špička, Václav

2017-01-01

Roč. 30, č. 3 (2017), s. 807-811 ISSN 1557-1939 Institutional support: RVO:68378271 Keywords : non-equilibrium * initial conditions * transient currents * molecular islands Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.180, year: 2016

Green's functions in quantum physics. 3. ed.

International Nuclear Information System (INIS)

Economou, E.N.

2006-01-01

The new edition of a standard reference will be of interest to advanced students wishing to become familiar with the method of Green's functions for obtaining simple and general solutions to basic problems in quantum physics. The main part is devoted to the simplest kind of Green's functions, namely the solutions of linear differential equations with a -function source. It is shown that these familiar Green's functions are a powerful tool for obtaining relatively simple and general solutions of basic problems such as scattering and bound level information. The bound-level treatment gives a clear physical understanding of ''difficult'' questions such as superconductivity, the Kondo effect, and, to a lesser degree, disorder-induced localization. The more advanced subject of many-body Green's functions is presented in the last part of the book. This third edition is 50% longer than the previous and offers end-of-chapter problems and solutions (40% are solved) and additional appendices to help it is to serve as an effective self-tutorial and self-sufficient reference. Throughout, it demonstrates the powerful and unifying formalism of Green's functions across many applications, including transport properties, carbon nanotubes, and photonics and photonic crystals. (orig.)

A single-sided homogeneous Green's function representation for holographic imaging, inverse scattering, time-reversal acoustics and interferometric Green's function retrieval

Science.gov (United States)

Wapenaar, Kees; Thorbecke, Jan; van der Neut, Joost

2016-04-01

Green's theorem plays a fundamental role in a diverse range of wavefield imaging applications, such as holographic imaging, inverse scattering, time-reversal acoustics and interferometric Green's function retrieval. In many of those applications, the homogeneous Green's function (i.e. the Green's function of the wave equation without a singularity on the right-hand side) is represented by a closed boundary integral. In practical applications, sources and/or receivers are usually present only on an open surface, which implies that a significant part of the closed boundary integral is by necessity ignored. Here we derive a homogeneous Green's function representation for the common situation that sources and/or receivers are present on an open surface only. We modify the integrand in such a way that it vanishes on the part of the boundary where no sources and receivers are present. As a consequence, the remaining integral along the open surface is an accurate single-sided representation of the homogeneous Green's function. This single-sided representation accounts for all orders of multiple scattering. The new representation significantly improves the aforementioned wavefield imaging applications, particularly in situations where the first-order scattering approximation breaks down.

Multiconfigurational Green's function approaches in quantum chemistry

International Nuclear Information System (INIS)

Yeager, D.L.

1984-01-01

The author discusses multiconfigurational Green's function techniques and generalizations. In particular he is interested in developing and applying these techniques for isolated atoms and small molecules. Furthermore, he develops formalisms that are fairly clear, accurate, and capable of being applied to open-shell and highly-correlated systems as well as to closed-shell systems with little electronic correlation. The two kinds of Green's functions that this article discusses are the single-particle Green's function and the retarded two-time Green's function in the energy representation. The poles of the former give the ionization potentials and electron affinities while the poles of the latter give the excitation energies. The multiconfigurational approximations are known as the multiconfigurational electron propagator (MCEP) and the multiconfigurational time-dependent Hartree-Fock (MCTDHF) (also known as the multiconfigurational random phase approximation (MCRPA) or the multiconfigurational linear response), respectively. 44 references

On toroidal Green close-quote s functions

International Nuclear Information System (INIS)

Bates, J.W.

1997-01-01

Green close-quote s functions are valuable analytical tools for solving a myriad of boundary-value problems in mathematical physics. Here, Green close-quote s functions of the Laplacian and biharmonic operators are derived for a three-dimensional toroidal domain. In some sense, the former result may be regarded as open-quotes standard,close quotes but the latter is most certainly not. It is shown that both functions can be constructed to have zero value on a specified toroidal surface with a circular cross section. Additionally, the Green close-quote s function of the biharmonic operator may be chosen to have the property that its normal derivative also vanishes there. A open-quotes torsionalclose quotes Green close-quote s function is derived for each operator which is useful in solving some boundary-value problems involving axisymmetric vector equations. Using this approach, the magnetic vector potential of a wire loop is computed as a simple example. copyright 1997 American Institute of Physics

Equilibrium and nonequilibrium many-body perturbation theory: a unified framework based on the Martin-Schwinger hierarchy

International Nuclear Information System (INIS)

Van Leeuwen, Robert; Stefanucci, Gianluca

2013-01-01

We present a unified framework for equilibrium and nonequilibrium many-body perturbation theory. The most general nonequilibrium many-body theory valid for general initial states is based on a time-contour originally introduced by Konstantinov and Perel'. The various other well-known formalisms of Keldysh, Matsubara and the zero-temperature formalism are then derived as special cases that arise under different assumptions. We further present a single simple proof of Wick's theorem that is at the same time valid in all these flavors of many-body theory. It arises simply as a solution of the equations of the Martin-Schwinger hierarchy for the noninteracting many-particle Green's function with appropriate boundary conditions. We further discuss a generalized Wick theorem for general initial states on the Keldysh contour and derive how the formalisms based on the Keldysh and Konstantinov-Perel'-contours are related for the case of general initial states.

The Green's function method for critical heterogeneous slabs

International Nuclear Information System (INIS)

Kornreich, D.E.

1996-01-01

Recently, the Green's Function Method (GFM) has been employed to obtain benchmark-quality results for nuclear engineering and radiative transfer calculations. This was possible because of fast and accurate calculations of the Green's function and the associated Fourier and Laplace transform inversions. Calculations have been provided in one-dimensional slab geometries for both homogeneous and heterogeneous media. A heterogeneous medium is analyzed as a series of homogeneous slabs, and Placzek's lemma is used to extend each slab to infinity. This allows use of the infinite medium Green's function (the anisotropic plane source in an infinite homogeneous medium) in the solution. To this point, a drawback of the GFM has been the limitation to media with c 1; however, mathematical solutions exist which result in oscillating Green's functions. Such calculations are briefly discussing. The limitation to media with c < 1 has been relaxed so that the Green's function may also be calculated for media with c ≥ 1. Thus, materials that contain fissionable isotopes may be modeled

Green's function and boundary elements of multifield materials

CERN Document Server

Qin, Qing-Hua

2007-01-01

Green's Function and Boundary Elements of Multifield Materials contains a comprehensive treatment of multifield materials under coupled thermal, magnetic, electric, and mechanical loads. Its easy-to-understand text clarifies some of the most advanced techniques for deriving Green's function and the related boundary element formulation of magnetoelectroelastic materials: Radon transform, potential function approach, Fourier transform. Our hope in preparing this book is to attract interested readers and researchers to a new field that continues to provide fascinating and technologically important challenges. You will benefit from the authors' thorough coverage of general principles for each topic, followed by detailed mathematical derivation and worked examples as well as tables and figures where appropriate. In-depth explanations of the concept of Green's function Coupled thermo-magneto-electro-elastic analysis Detailed mathematical derivation for Green's functions.

Worldline Green functions for multiloop diagrams

International Nuclear Information System (INIS)

Schmidt, M.G.; Heidelberg Univ.; Schubert, C.

1994-03-01

We propose a multiloop generalization of the Bern-Kosower formalism, based on Strassler's approach of evaluating worldline path integrals by worldline Green functions. Those Green functions are explicitly constructed for the basic two-loop graph, and for a loop with an arbitrary number of propagator insertions. For scalar and abelian gauge theories, the resulting integral representations allow to combine whole classes of Feynman diagrams into compact expressions. (orig.)

Green's function for a generalized two-dimensional fluid.

Science.gov (United States)

Iwayama, Takahiro; Watanabe, Takeshi

2010-09-01

A Green's function for a generalized two-dimensional (2D) fluid in an unbounded domain (the so-called α turbulence system) is discussed. The generalized 2D fluid is characterized by a relationship between an advected quantity q and the stream function ψ : namely, q=-(-Δ){α/2}ψ . Here, α is a real number and q is referred to as the vorticity. In this study, the Green's function refers to the stream function produced by a delta-functional distribution of q , i.e., a point vortex with unit strength. The Green's function has the form G{(α)}(r)∝r{α-2} , except when α is an even number, where r is the distance from the point vortex. This functional form is known as the Riesz potential. When α is a positive even number, the logarithmic correction to the Riesz potential has the form G(r){(α)}∝r{α-2} ln r . In contrast, when α is a negative even number, G{(α)} is given by the higher-order Laplacian of the delta function. The transition of the small-scale behavior of q at α=2 , a well-known property of forced and dissipative α turbulence, is explained in terms of the Green's function. Moreover, the azimuthal velocity around the point vortex is derived from the Green's function. The functional form of the azimuthal velocity indicates that physically realizable systems for the generalized 2D fluid exist only when α≤3 . The Green's function and physically realizable systems for an anisotropic generalized 2D fluid are presented as an application of the present study.

Single-particle properties from Kohn-Sham Green's functions

International Nuclear Information System (INIS)

Bhattacharyya, Anirban; Furnstahl, R.J.

2005-01-01

An effective action approach to Kohn-Sham density functional theory is used to illustrate how the exact Green's function can be calculated in terms of the Kohn-Sham Green's function. An example based on Skyrme energy functionals shows that single-particle Kohn-Sham spectra can be improved by adding sources used to construct the energy functional

Thermodynamic Green functions in theory of superconductivity

Directory of Open Access Journals (Sweden)

N.M.Plakida

2006-01-01

Full Text Available A general theory of superconductivity is formulated within the thermodynamic Green function method for various types of pairing mediated by phonons, spin fluctuations, and strong Coulomb correlations in the Hubbard and t-J models. A rigorous Dyson equation for matrix Green functions is derived in terms of a self-energy as a many-particle Green function. By applying the noncrossing approximation for the self-energy, a closed self-consistent system of equations is obtained, similar to the conventional Eliashberg equations. A brief discussion of superconductivity mediated by kinematic interaction with an estimation of a superconducting transition temperature in the Hubbard model is given.

Nonequilibrium thermodynamics of restricted Boltzmann machines

Science.gov (United States)

Salazar, Domingos S. P.

2017-08-01

In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

Nonequilibrium thermodynamics of restricted Boltzmann machines.

Science.gov (United States)

Salazar, Domingos S P

2017-08-01

In this work, we analyze the nonequilibrium thermodynamics of a class of neural networks known as restricted Boltzmann machines (RBMs) in the context of unsupervised learning. We show how the network is described as a discrete Markov process and how the detailed balance condition and the Maxwell-Boltzmann equilibrium distribution are sufficient conditions for a complete thermodynamics description, including nonequilibrium fluctuation theorems. Numerical simulations in a fully trained RBM are performed and the heat exchange fluctuation theorem is verified with excellent agreement to the theory. We observe how the contrastive divergence functional, mostly used in unsupervised learning of RBMs, is closely related to nonequilibrium thermodynamic quantities. We also use the framework to interpret the estimation of the partition function of RBMs with the annealed importance sampling method from a thermodynamics standpoint. Finally, we argue that unsupervised learning of RBMs is equivalent to a work protocol in a system driven by the laws of thermodynamics in the absence of labeled data.

Green function of the model two-centre quantum-mechanical problem

International Nuclear Information System (INIS)

Khoma, M.V.; Lazur, V.Yu.

2002-01-01

The expansions of a Green function for the Simmons molecular potential (SMP) in terms of spheroidal function are built. The solutions of degenerate hypergeometric equation are used as basis function system while expanding regular and irregular model spheroidal functions into series. Rather simple three-terms recurrence relations are obtained for the coefficients of these expansions. Much attentions is given to different asymptotic representation as well as Sturmian expansions of the Green function of the two-centre SMP wave functions. In all cases considered the Green function is reduced to the form similar to the Hostler's representation of the Coulomb Green function

Linking Equilibrium and Nonequilibrium Dynamics in Glass-Forming Systems

DEFF Research Database (Denmark)

Mauro, John C.; Guo, Xiaoju; Smedskjær, Morten Mattrup

, we show that the nonequilibrium glassy dynamics are intimately connected with the equilibrium liquid dynamics. This is accomplished by deriving a new functional form for the thermal history dependence of nonequilibrium viscosity, which is validated against experimental measurements of industrial...

Functional-derivative study of the Hubbard model. III. Fully renormalized Green's function

International Nuclear Information System (INIS)

Arai, T.; Cohen, M.H.

1980-01-01

The functional-derivative method of calculating the Green's function developed earlier for the Hubbard model is generalized and used to obtain a fully renormalized solution. Higher-order functional derivatives operating on the basic Green's functions, G and GAMMA, are all evaluated explicitly, thus making the solution applicable to the narrow-band region as well as the wide-band region. Correction terms Phi generated from functional derivatives of equal-time Green's functions of the type delta/sup n/ /deltaepsilon/sup n/, etc., with n > or = 2. It is found that the Phi's are, in fact, renormalization factors involved in the self-energy Σ and that the structure of the Phi's resembles that of Σ and contains the same renormalization factors Phi. The renormalization factors Phi are shown to satisfy a set of equations and can be evaluated self-consistently. In the presence of the Phi's, all difficulties found in the previous results (papers I and II) are removed, and the energy spectrum ω can now be evaluated for all occupations n. The Schwinger relation is the only basic relation used in generating this fully self-consistent Green's function, and the Baym-Kadanoff continuity condition is automatically satisfied

Sourcewise represented green's function of the circular waveguide

International Nuclear Information System (INIS)

Prijmenko, S.D.; Bondarenko, L.A.

2007-01-01

Singular part of the Green's function of unbounded space is singled out in explicit form and contains all singularities, including a delta-shaped singularity. The problem of construction of Green's function for a field is solved, as a problem for diffraction of potential and rotational components electric field intensity of a point current source on the circular waveguide walls. The singling out of the electric field intensity singularity in an explicit form about a source enables to develop an effective algorithm of Green's function calculation at any distance between the source point and observation point in a circular waveguide

A Green function of neutron transport equation

International Nuclear Information System (INIS)

Simovic, R.

1993-01-01

In this paper the angularly dependent Green function of the neutron transport equation is derived analytically and approximately. By applying the analytical FDPN approximation up to eighth order, numerical values of the Green functions are obtained with the accuracy of six significant figures in the whole range of parameter c, angle cosine μ and distances x up to the ten optical lengths from the neutron source. (author)

Dirac Coulomb Green's function and its application to relativistic Rayleigh scattering

International Nuclear Information System (INIS)

Wong, M.K.F.; Yeh, E.H.Y.

1985-01-01

The Dirac Coulomb Green's function is obtained in both coordinate and momentum space. The Green's function in coordinate space is obtained by the eigenfunction expansion method in terms of the wave functions obtained by Wong and Yeh. The result is simpler than those obtained previously by other authors, in that the radial part for each component contains one term only instead of four terms. Our Green's function reduces to the Schroedinger Green's function upon some simple conditions, chiefly by neglecting the spin and replacing lambda by l. The Green's function in momentum space is obtained as the Fourier transform of the coordinate space Green's function, and is expressed in terms of basically three types of functions: (1) F/sub A/ (α; β 1 β 2 β 3 ; γ 1 γ 2 γ 3 ; z 1 z 2 z 3 ), (2) the hypergeometric function, and (3) spherical harmonics. The matrix element for Rayleigh scattering, or elastic Compton scattering, from relativistically bound electrons is then obtained in analytically closed form. The matrix element is written basically in terms of the coordinate space Dirac Coulomb Green's function. The technique used in the evaluation of the matrix element is based on the calculation of the momentum space Dirac Coulomb Green's function. Finally the relativistic result is compared with the nonrelativistic result

Green's function for anti--de Sitter space gravity

International Nuclear Information System (INIS)

Kleppe, G.

1994-01-01

We solve for the retarded Green's function for linearized gravity in a background with a negative cosmological constant, anti--de Sitter space. In this background, it is possible for a signal to reach spatial infinity in a finite time. Therefore the form of the Green's function depends on a choice of boundary condition at spatial infinity. We take as our condition that a signal which reaches infinity should be lost, not reflected back. We calculate the Green's function associated with this condition, and show that it reproduces the correct classical solution for a point mass at the origin, the anti--de Sitter--Schwarzschild solution

Green's function matching method for adjoining regions having different masses

International Nuclear Information System (INIS)

Morgenstern Horing, Norman J

2006-01-01

We present a primer on the method of Green's function matching for the determination of the global Schroedinger Green's function for all space subject to joining conditions at an interface between two (or more) separate parts of the region having different masses. The object of this technique is to determine the full space Schroedinger Green's function in terms of the individual Green's functions of the constituent parts taken as if they were themselves extended to all space. This analytical method has had successful applications in the theory of surface states, and remains of interest for nanostructures

Unified double- and single-sided homogeneous Green's function representations

Science.gov (United States)

Wapenaar, Kees; van der Neut, Joost; Slob, Evert

2016-06-01

In wave theory, the homogeneous Green's function consists of the impulse response to a point source, minus its time-reversal. It can be represented by a closed boundary integral. In many practical situations, the closed boundary integral needs to be approximated by an open boundary integral because the medium of interest is often accessible from one side only. The inherent approximations are acceptable as long as the effects of multiple scattering are negligible. However, in case of strongly inhomogeneous media, the effects of multiple scattering can be severe. We derive double- and single-sided homogeneous Green's function representations. The single-sided representation applies to situations where the medium can be accessed from one side only. It correctly handles multiple scattering. It employs a focusing function instead of the backward propagating Green's function in the classical (double-sided) representation. When reflection measurements are available at the accessible boundary of the medium, the focusing function can be retrieved from these measurements. Throughout the paper, we use a unified notation which applies to acoustic, quantum-mechanical, electromagnetic and elastodynamic waves. We foresee many interesting applications of the unified single-sided homogeneous Green's function representation in holographic imaging and inverse scattering, time-reversed wave field propagation and interferometric Green's function retrieval.

Rate of tunneling nonequilibrium quasiparticles in superconducting qubits

International Nuclear Information System (INIS)

Ansari, Mohammad H

2015-01-01

In superconducting qubits the lifetime of quantum states cannot be prolonged arbitrarily by decreasing temperature. At low temperature quasiparticles tunneling between the electromagnetic environment and superconducting islands takes the condensate state out of equilibrium due to charge imbalance. We obtain the tunneling rate from a phenomenological model of non-equilibrium, where nonequilibrium quasiparticle tunnelling stimulates a temperature-dependent chemical potential shift in the superconductor. As a result we obtain a non-monotonic behavior for relaxation rate as a function of temperature. Depending on the fabrication parameters for some qubits, the lowest tunneling rate of nonequilibrium quasiparticles can take place only near the onset temperature below which nonequilibrium quasiparticles dominate over equilibrium one. Our theory also indicates that such tunnelings can influence the probability of transitions in qubits through a coupling to the zero-point energy of phase fluctuations. (paper)

General theory for calculating disorder-averaged Green's function correlators within the coherent potential approximation

Science.gov (United States)

Zhou, Chenyi; Guo, Hong

2017-01-01

We report a diagrammatic method to solve the general problem of calculating configurationally averaged Green's function correlators that appear in quantum transport theory for nanostructures containing disorder. The theory treats both equilibrium and nonequilibrium quantum statistics on an equal footing. Since random impurity scattering is a problem that cannot be solved exactly in a perturbative approach, we combine our diagrammatic method with the coherent potential approximation (CPA) so that a reliable closed-form solution can be obtained. Our theory not only ensures the internal consistency of the diagrams derived at different levels of the correlators but also satisfies a set of Ward-like identities that corroborate the conserving consistency of transport calculations within the formalism. The theory is applied to calculate the quantum transport properties such as average ac conductance and transmission moments of a disordered tight-binding model, and results are numerically verified to high precision by comparing to the exact solutions obtained from enumerating all possible disorder configurations. Our formalism can be employed to predict transport properties of a wide variety of physical systems where disorder scattering is important.

Plant species and functional group combinations affect green roof ecosystem functions.

Science.gov (United States)

Lundholm, Jeremy; Macivor, J Scott; Macdougall, Zachary; Ranalli, Melissa

2010-03-12

Green roofs perform ecosystem services such as summer roof temperature reduction and stormwater capture that directly contribute to lower building energy use and potential economic savings. These services are in turn related to ecosystem functions performed by the vegetation layer such as radiation reflection and transpiration, but little work has examined the role of plant species composition and diversity in improving these functions. We used a replicated modular extensive (shallow growing- medium) green roof system planted with monocultures or mixtures containing one, three or five life-forms, to quantify two ecosystem services: summer roof cooling and water capture. We also measured the related ecosystem properties/processes of albedo, evapotranspiration, and the mean and temporal variability of aboveground biomass over four months. Mixtures containing three or five life-form groups, simultaneously optimized several green roof ecosystem functions, outperforming monocultures and single life-form groups, but there was much variation in performance depending on which life-forms were present in the three life-form mixtures. Some mixtures outperformed the best monocultures for water capture, evapotranspiration, and an index combining both water capture and temperature reductions. Combinations of tall forbs, grasses and succulents simultaneously optimized a range of ecosystem performance measures, thus the main benefit of including all three groups was not to maximize any single process but to perform a variety of functions well. Ecosystem services from green roofs can be improved by planting certain life-form groups in combination, directly contributing to climate change mitigation and adaptation strategies. The strong performance by certain mixtures of life-forms, especially tall forbs, grasses and succulents, warrants further investigation into niche complementarity or facilitation as mechanisms governing biodiversity-ecosystem functioning relationships in green

The green's functions of superconductivity- A review | Imo | Global ...

African Journals Online (AJOL)

We present some basic Green's functions of superconductivity, making emphasis on their geneology and analytic properties. From calculations, we note that the temperature dependence of the Green's functions for fermionic (and bosonic) systems limits and defines the extent of their applications and results. Furthermore ...

Non-Equilibrium Liouville and Wigner Equations: Moment Methods and Long-Time Approximations

Directory of Open Access Journals (Sweden)

Ramon F. Álvarez-Estrada

2014-03-01

Full Text Available We treat the non-equilibrium evolution of an open one-particle statistical system, subject to a potential and to an external “heat bath” (hb with negligible dissipation. For the classical equilibrium Boltzmann distribution, Wc,eq, a non-equilibrium three-term hierarchy for moments fulfills Hermiticity, which allows one to justify an approximate long-time thermalization. That gives partial dynamical support to Boltzmann’s Wc,eq, out of the set of classical stationary distributions, Wc;st, also investigated here, for which neither Hermiticity nor that thermalization hold, in general. For closed classical many-particle systems without hb (by using Wc,eq, the long-time approximate thermalization for three-term hierarchies is justified and yields an approximate Lyapunov function and an arrow of time. The largest part of the work treats an open quantum one-particle system through the non-equilibrium Wigner function, W. Weq for a repulsive finite square well is reported. W’s (< 0 in various cases are assumed to be quasi-definite functionals regarding their dependences on momentum (q. That yields orthogonal polynomials, HQ,n(q, for Weq (and for stationary Wst, non-equilibrium moments, Wn, of W and hierarchies. For the first excited state of the harmonic oscillator, its stationary Wst is a quasi-definite functional, and the orthogonal polynomials and three-term hierarchy are studied. In general, the non-equilibrium quantum hierarchies (associated with Weq for the Wn’s are not three-term ones. As an illustration, we outline a non-equilibrium four-term hierarchy and its solution in terms of generalized operator continued fractions. Such structures also allow one to formulate long-time approximations, but make it more difficult to justify thermalization. For large thermal and de Broglie wavelengths, the dominant Weq and a non-equilibrium equation for W are reported: the non-equilibrium hierarchy could plausibly be a three-term one and possibly not

Nonlocal surface plasmons by Poisson Green's function matching

International Nuclear Information System (INIS)

Morgenstern Horing, Norman J

2006-01-01

The Poisson Green's function for all space is derived for the case in which an interface divides space into two separate semi-infinite media, using the Green's function matching method. Each of the separate semi-infinite constituent parts has its own dynamic, nonlocal polarizability, which is taken to be unaffected by the presence of the interface and is represented by the corresponding bulk response property. While this eliminates Friedel oscillatory phenomenology near the interface with p ∼ 2p F , it is nevertheless quite reasonable and useful for a broad range of lower (nonvanishing) wavenumbers, p F . The resulting full-space Poisson Green's function is dynamic, nonlocal and spatially inhomogeneous, and its frequency pole yields the surface plasmon dispersion relation, replete with dynamic and nonlocal features. It also accommodates an ambient magnetic field

Non-perturbative Green functions in quantum gauge theories

International Nuclear Information System (INIS)

Shabanov, S.V.

1991-01-01

Non-perturbative Green functions for gauge invariant variables are considered. The Green functions are found to be modified as compared with the usual ones in a definite gauge because of a physical configuration space (PCS) reduction. In the Yang-Mills theory with fermions this phenomenon follows from the Singer theorem about the absence of a global gauge condition for the fields tensing to zero at spatial infinity. 20 refs

Harmonic supergraphs. Green functions

International Nuclear Information System (INIS)

Galperin, A.; Ivanov, E.; Gievetsky, V.; Sokatchev, E.

1985-01-01

The quantization procedure in the harmonic superspace approach is worked out. Harmonic distributions are introduced and are used to construct the analytic superspace delta-functions and the Green functions for the hypermultiplet and the N=2 Yang-Mills superfields. The gauge fixing is described and the relevant Faddeev-Popov ghosts are defined. The corresponding BRST transformations are found. The harmonic superspace quantization of the N=2 gauge theory turns out to be rather simple and has many parallels with that for the standard (N=0) Yang-Mills theory. In particular, no ghosts-forghosts are needed

Study of Ion Acoustic Wave Damping through Green's Functions

DEFF Research Database (Denmark)

Hsuan, H.C.S.; Jensen, Vagn Orla

1973-01-01

Green's function analyses of ion acoustic waves in streaming plasmas show that, in general, the waves damp algebraically rather than exponentially with distance from exciter.......Green's function analyses of ion acoustic waves in streaming plasmas show that, in general, the waves damp algebraically rather than exponentially with distance from exciter....

Potential and flux field landscape theory. I. Global stability and dynamics of spatially dependent non-equilibrium systems.

Science.gov (United States)

Wu, Wei; Wang, Jin

2013-09-28

We established a potential and flux field landscape theory to quantify the global stability and dynamics of general spatially dependent non-equilibrium deterministic and stochastic systems. We extended our potential and flux landscape theory for spatially independent non-equilibrium stochastic systems described by Fokker-Planck equations to spatially dependent stochastic systems governed by general functional Fokker-Planck equations as well as functional Kramers-Moyal equations derived from master equations. Our general theory is applied to reaction-diffusion systems. For equilibrium spatially dependent systems with detailed balance, the potential field landscape alone, defined in terms of the steady state probability distribution functional, determines the global stability and dynamics of the system. The global stability of the system is closely related to the topography of the potential field landscape in terms of the basins of attraction and barrier heights in the field configuration state space. The effective driving force of the system is generated by the functional gradient of the potential field alone. For non-equilibrium spatially dependent systems, the curl probability flux field is indispensable in breaking detailed balance and creating non-equilibrium condition for the system. A complete characterization of the non-equilibrium dynamics of the spatially dependent system requires both the potential field and the curl probability flux field. While the non-equilibrium potential field landscape attracts the system down along the functional gradient similar to an electron moving in an electric field, the non-equilibrium flux field drives the system in a curly way similar to an electron moving in a magnetic field. In the small fluctuation limit, the intrinsic potential field as the small fluctuation limit of the potential field for spatially dependent non-equilibrium systems, which is closely related to the steady state probability distribution functional, is

Green's functions on spheres and on closed Robertson--Walker spacetimes

International Nuclear Information System (INIS)

Hahne, G.E.

1975-01-01

The objective of this investigation was to carry the theory and calculations of certain Green functions as far as seemed possible toward applications, in particular toward the calculation of the rate of spontaneous creation of scalar particles by strong gravitational fields. The latter calculation has not yet been carried out in full on account of its apparent mathematical intractability. As an introduction to Green functions concern is with the Green function for the Laplacian operator Δ (or NABLA 2 ) and the Helmholtz operator DELTA + omega 2 on n-spheres, with a few examples worked out. Subsequently, Green's functions for massless particles on Einstein spacetimes of two (S 1 x T) and four (S 3 x T) dimensions are obtained. By a fortuitous circumstance the conformally invariant equation in the case of the 4-dimensional Einstein space could be worked out in detail. The conformally invariant case predicts no spontaneous creation of particles, however. In the final calculation a special kind of Green function associated with the Klein-Gordon equation was related to the particle creation amplitude for an Einstein universe. (Diss. Abstr. Int., B)

Green functions in a super self-dual Yang-Mills background

International Nuclear Information System (INIS)

McArthur, I.N.

1984-01-01

In euclidean supersymmetric theories of chiral superfields and vector superfields coupled to a super-self-dual Yang-Mills background, we define Green functions for the Laplace-type differential operators which are obtained from the quadratic parot the action. These Green functions are expressed in terms of the Green function on the space of right chiral superfields, and an explicit expression for the right chiral Green function in the fundamental representation of an SU(n) gauge group is presented using the supersymmetric version of the ADHM formalism. The superfield kernels associated with the Laplace-type operators are used to obtain the one-loop quantum corrections to the super-self-dual Yang-Mills action, and also to provide a superfield version of the super-index theorems for the components of chiral superfields in a self-dual background. (orig.)

Non-equilibrium concentration fluctuations in binary liquids with realistic boundary conditions.

Science.gov (United States)

Ortiz de Zárate, J M; Kirkpatrick, T R; Sengers, J V

2015-09-01

Because of the spatially long-ranged nature of spontaneous fluctuations in thermal non-equilibrium systems, they are affected by boundary conditions for the fluctuating hydrodynamic variables. In this paper we consider a liquid mixture between two rigid and impervious plates with a stationary concentration gradient resulting from a temperature gradient through the Soret effect. For liquid mixtures with large Lewis and Schmidt numbers, we are able to obtain explicit analytical expressions for the intensity of the non-equilibrium concentration fluctuations as a function of the frequency ω and the wave number q of the fluctuations. In addition we elucidate the spatial dependence of the intensity of the non-equilibrium fluctuations responsible for a non-equilibrium Casimir effect.

Green's functions for off-shell electromagnetism and spacelike correlations

International Nuclear Information System (INIS)

Land, M.C.; Horwitz, L.P.

1991-01-01

The requirement of gauge invariance for the Schwinger-DeWitt equations, interpreted as a manifestly covariant quantum theory for the evolution of a system in spacetime, implies the existence of a five-dimensional pre-Maxwell field on the manifold of spacetime and proper time τ. The Maxwell theory is contained in this theory; integration of the field equations over τ restores the Maxwell equations with the usual interpretation of the sources. Following Schwinger's techniques, the authors study the Green's functions for the five dimensional hyperbolic field equations for both signatures ± [corresponding to O(4, 1) or O(3, 2) symmetry of the field equations] of the proper time derivative. The classification of the Green's functions follows that of the four-dimensional theory for massive fields, for which the mass squared may be positive or negative, respectively. The Green's function for the five-dimensional field are then given by the Fourier transform over the mass parameter. They derive the Green's functions corresponding to the principal part Δ P and the homogeneous function Δ t ; all of the Green's functions can be expressed in terms of these, as for the usual field equations with definite mass. In the O(3, 2) case, the principal part function has support for x 2 ≥ τ 2 , corresponding to spacelike propagation, as well as along the light cone X 2 = 0 (for τ = 0). There can be no transmission of information in spacelike directions, with this propagator, since the Maxwell field, obtained by integration over τ, does not contain this component of the support. Measurements are characterized by such an integration. The spacelike field therefore can dynamically establish spacelike correlations

Nonequilibrium Enhances Adaptation Efficiency of Stochastic Biochemical Systems.

Directory of Open Access Journals (Sweden)

Chen Jia

Full Text Available Adaptation is a crucial biological function possessed by many sensory systems. Early work has shown that some influential equilibrium models can achieve accurate adaptation. However, recent studies indicate that there are close relationships between adaptation and nonequilibrium. In this paper, we provide an explanation of these two seemingly contradictory results based on Markov models with relatively simple networks. We show that as the nonequilibrium driving becomes stronger, the system under consideration will undergo a phase transition along a fixed direction: from non-adaptation to simple adaptation then to oscillatory adaptation, while the transition in the opposite direction is forbidden. This indicates that although adaptation may be observed in equilibrium systems, it tends to occur in systems far away from equilibrium. In addition, we find that nonequilibrium will improve the performance of adaptation by enhancing the adaptation efficiency. All these results provide a deeper insight into the connection between adaptation and nonequilibrium. Finally, we use a more complicated network model of bacterial chemotaxis to validate the main results of this paper.

Cumulant generating function formula of heat transfer in ballistic systems with lead-lead coupling

Science.gov (United States)

Li, Huanan; Agarwalla, Bijay Kumar; Wang, Jian-Sheng

2012-10-01

Based on a two-time observation protocol, we consider heat transfer in a given time interval tM in a lead-junction-lead system taking coupling between the leads into account. In view of the two-time observation, consistency conditions are carefully verified in our specific family of quantum histories. Furthermore, its implication is briefly explored. Then using the nonequilibrium Green's function method, we obtain an exact formula for the cumulant generating function for heat transfer between the two leads, valid in both transient and steady-state regimes. Also, a compact formula for the cumulant generating function in the long-time limit is derived, for which the Gallavotti-Cohen fluctuation symmetry is explicitly verified. In addition, we briefly discuss Di Ventra's repartitioning trick regarding whether the repartitioning procedure of the total Hamiltonian affects the nonequilibrium steady-state current fluctuation. All kinds of properties of nonequilibrium current fluctuations, such as the fluctuation theorem in different time regimes, could be readily given according to these exact formulas.

Boundary conditions for quasiclassical Green's function for superfluid Fermi systems

International Nuclear Information System (INIS)

Nagai, K.; Hara, J.

1988-01-01

The authors show that the quasiclassical Green's Function for Fermi liquids can be constructed from the solutions of the Bogoliubov-de Gennes equation within the Andreev approximation and derive self-consistent relations to be satisfied by the quasiclassical Green's function at the surfaces. The so-called normalization condition for the quasiclassical Green's function is obtained from this self-consistent relation. They consider a specularly reflecting wall, a randomly rippled wall, and a proximity boundary as model surfaces. Their boundary condition for the randomly rippled wall is different from that derived by Buchholtz and Rainer and Buchholtz

Functional Use Change in Green Spaces: A Case Study of Kirklareli Province

Science.gov (United States)

Sat Gungor, Beyza; Culha Ozanguc, Kadiriye

2017-10-01

Green spaces which are one of the most important public spaces in urban design have an important role on qualified daily urban life. People escape from intense work pressure and traffic jam of metropoles to those urban green areas to take a breath even they cover a small size. In time, people’s expectations from green spaces as functional and quantitative needs are changing. This change occurs due to increasing population and as the character of the urban life. This study examines the functional use and quantitative change of urban green spaces of Kırklareli Province from past to present. Kırklareli is a border city to Bulgaria which is located in north-west part of Turkey and this gives a transitional and a multicultural character to the city. The population is about 67360. In the course of time; green space needs have increased by the increasing population. In addition to this, green spaces’ functional use change has been identified. According to the results of the study; from the aspect of the green space standards, Kırklareli found above standards with 17.5 m2 per capita, but on the other hand, sport and playground areas found insufficient. The Oldest and the newest city plans of Kırklareli (1940s and 2012s cadastral plans) have been compared and site surveys implemented as the methodology. In site survey, current green spaces’ functional uses as sport or playground are observed and determined and also current quantitative measure of the green spaces are verified. Urban green spaces in Kırklareli Province evaluated through considering world’s most populated urban green space standards and Turkey’s standards. This study utilizes to compose a substructure of the urban green space. Determined deficiencies and inadequacies of green spaces and functional needs in this study, can guide to further studies and implementations of Kırklareli Municipality.

Vector Green's function algorithm for radiative transfer in plane-parallel atmosphere

International Nuclear Information System (INIS)

Qin Yi; Box, Michael A.

2006-01-01

Green's function is a widely used approach for boundary value problems. In problems related to radiative transfer, Green's function has been found to be useful in land, ocean and atmosphere remote sensing. It is also a key element in higher order perturbation theory. This paper presents an explicit expression of the Green's function, in terms of the source and radiation field variables, for a plane-parallel atmosphere with either vacuum boundaries or a reflecting (BRDF) surface. Full polarization state is considered but the algorithm has been developed in such way that it can be easily reduced to solve scalar radiative transfer problems, which makes it possible to implement a single set of code for computing both the scalar and the vector Green's function

Electrical tensor Green functions for cylindrical waveguides

International Nuclear Information System (INIS)

Prijmenko, S.D.; Papkovich, V.G.; Khizhnyak, N.A.

1988-01-01

Formation of electrical tensor Green functions for cylindrical waveguides is considered. Behaviour of these functions in the source region is studied. Cases of electrical tensor Green functions for vector potential G E (r-vector, r'-vector) and electric field G e (r-vector, r'-vector) are analysed. When forming G E (r-vector, r'-vector), its dependence on lateral coordinates is taken into account by means of two-dimensional fundamental vector Hansen functions, several methods are used to take into account the dependence on transverse coordinate. When forming G e (r-vector, r'-vector) we use the fact that G E (r-vector, r'-vector) and G e (r-vector, r'-vector) are the generalized functions. It is shown that G e (r-vector, r'-vector) behaviour in the source region is defined by a singular term, which properties are described by the delta-function. Two variants of solving the problem of defining singular and regular sides of tensor function G E (r-vector, r'-vector) are presented. 23 refs

Gluon Green functions free of quantum fluctuations

Directory of Open Access Journals (Sweden)

A. Athenodorou

2016-09-01

Full Text Available This letter reports on how the Wilson flow technique can efficaciously kill the short-distance quantum fluctuations of 2- and 3-gluon Green functions, remove the ΛQCD scale and destroy the transition from the confining non-perturbative to the asymptotically-free perturbative sector. After the Wilson flow, the behavior of the Green functions with momenta can be described in terms of the quasi-classical instanton background. The same behavior also occurs, before the Wilson flow, at low-momenta. This last result permits applications as, for instance, the detection of instanton phenomenological properties or a determination of the lattice spacing only from the gauge sector of the theory.

Many-body current formula and current conservation for non-equilibrium fully interacting nanojunctions

International Nuclear Information System (INIS)

Ness, H; Dash, L K

2012-01-01

We consider the electron transport properties through fully interacting nanoscale junctions beyond the linear-response regime. We calculate the current flowing through an interacting region connected to two interacting leads, with interaction crossing at the left and right contacts, by using a non-equilibrium Green function technique. The total current at one interface (the left one for example) is made of several terms which can be regrouped into two sets. The first set corresponds to a very generalized Landauer-like current formula with physical quantities defined only in the interacting central region and with renormalized lead self-energies. The second set characterizes inelastic scattering events occurring in the left lead. We show how this term can be negligible or even vanish due to the pseudo-equilibrium statistical properties of the lead in the thermodynamic limit. The expressions for the different Green functions needed for practical calculations of the current are also provided. We determine the constraints imposed by the physical condition of current conservation. The corresponding equation imposed on the different self-energy quantities arising from the current conservation is derived. We discuss in detail its physical interpretation and its relation with previously derived expressions. Finally several important key features are discussed in relation to the implementation of our formalism for calculations of quantum transport in realistic systems. (paper)

Floquet-Green function formalism for harmonically driven Hamiltonians

International Nuclear Information System (INIS)

Martinez, D F

2003-01-01

A method is proposed for the calculation of the Floquet-Green function of a general Hamiltonian with harmonic time dependence. We use matrix continued fractions to derive an expression for the 'dynamical effective potential' that can be used to calculate the Floquet-Green function of the system. We demonstrate the formalism for the simple case of a space-periodic (in the tight-binding approximation) Hamiltonian with a defect whose on-site energy changes harmonically with time. We study the local density of states for this system and the behaviour of the localized states as a function of the different parameters that characterize the system

Modeling photonic crystal waveguides with noncircular geometry using green function method

International Nuclear Information System (INIS)

Uvarovaa, I.; Tsyganok, B.; Bashkatov, Y.; Khomenko, V.

2012-01-01

Currently in the field of photonics is an acute problem fast and accurate simulation photonic crystal waveguides with complex geometry. This paper describes an improved method of Green's functions for non-circular geometries. Based on comparison of selected efficient numerical method for finding the eigenvalues for the Green's function method for non-circular holes chosen effective method for our purposes. Simulation is realized in Maple environment. The simulation results confirmed experimentally. Key words: photonic crystal, waveguide, modeling, Green function, complex geometry

Non-equilibrium coupling of protein structure and function to translation-elongation kinetics.

Science.gov (United States)

Sharma, Ajeet K; O'Brien, Edward P

2018-04-01

Protein folding research has been dominated by the assumption that thermodynamics determines protein structure and function. And that when the folding process is compromised in vivo the proteostasis machinery-chaperones, deaggregases, the proteasome-work to restore proteins to their soluble, functional form or degrade them to maintain the cellular pool of proteins in a quasi-equilibrium state. During the past decade, however, more and more proteins have been identified for which altering only their speed of synthesis alters their structure and function, the efficiency of the down-stream processes they take part in, and cellular phenotype. Indeed, evidence has emerged that evolutionary selection pressures have encoded translation-rate information into mRNA molecules to coordinate diverse co-translational processes. Thus, non-equilibrium physics can play a fundamental role in influencing nascent protein behavior, mRNA sequence evolution, and disease. Here, we discuss how our understanding of this phenomenon is being advanced by the application of theoretical tools from the physical sciences. Copyright © 2018 Elsevier Ltd. All rights reserved.

Green's function method and its application to verification of diffusion models of GASFLOW code

International Nuclear Information System (INIS)

Xu, Z.; Travis, J.R.; Breitung, W.

2007-07-01

To validate the diffusion model and the aerosol particle model of the GASFLOW computer code, theoretical solutions of advection diffusion problems are developed by using the Green's function method. The work consists of a theory part and an application part. In the first part, the Green's functions of one-dimensional advection diffusion problems are solved in infinite, semi-infinite and finite domains with the Dirichlet, the Neumann and/or the Robin boundary conditions. Novel and effective image systems especially for the advection diffusion problems are made to find the Green's functions in a semi-infinite domain. Eigenfunction method is utilized to find the Green's functions in a bounded domain. In the case, key steps of a coordinate transform based on a concept of reversed time scale, a Laplace transform and an exponential transform are proposed to solve the Green's functions. Then the product rule of the multi-dimensional Green's functions is discussed in a Cartesian coordinate system. Based on the building blocks of one-dimensional Green's functions, the multi-dimensional Green's function solution can be constructed by applying the product rule. Green's function tables are summarized to facilitate the application of the Green's function. In the second part, the obtained Green's function solutions benchmark a series of validations to the diffusion model of gas species in continuous phase and the diffusion model of discrete aerosol particles in the GASFLOW code. Perfect agreements are obtained between the GASFLOW simulations and the Green's function solutions in case of the gas diffusion. Very good consistencies are found between the theoretical solutions of the advection diffusion equations and the numerical particle distributions in advective flows, when the drag force between the micron-sized particles and the conveying gas flow meets the Stokes' law about resistance. This situation is corresponding to a very small Reynolds number based on the particle

The method of images and Green's function for spherical domains

International Nuclear Information System (INIS)

Gutkin, Eugene; Newton, Paul K

2004-01-01

Motivated by problems in electrostatics and vortex dynamics, we develop two general methods for constructing Green's function for simply connected domains on the surface of the unit sphere. We prove a Riemann mapping theorem showing that such domains can be conformally mapped to the upper hemisphere. We then categorize all domains on the sphere for which Green's function can be constructed by an extension of the classical method of images. We illustrate our methods by several examples, such as the upper hemisphere, geodesic triangles, and latitudinal rectangles. We describe the point vortex motion in these domains, which is governed by a Hamiltonian determined by the Dirichlet Green's function

On Green's function for 3-D wave-body interaction in a channel

DEFF Research Database (Denmark)

Xia, Jinzhu

1997-01-01

series of images is evaluated accurately based on an asmptotic analysis. It is demonstrated that the Green's function has a square-root singular behaviour due to the side walls when the wave frequency approaches one of the resonant frequencies. The numerical results for the Green's function has a square......An analytical and numerical study is presented for efficient evaluation of the Green's function that satisfies the linear free surface condition and the non-penetration condition on the channel bottomand the side walls. the formulation is based on the open-sea green's function and the complete......-root singular behaviour due to the side walls when the wave frequency approaches one of the resonant frequencies. The numerical results for the Green's funciton presented in the present paper are believed to have an absolute accuracy of 10-5....

Euclidean scalar Green's functions near the black hole and black brane horizons

International Nuclear Information System (INIS)

Haba, Z

2009-01-01

We discuss approximations of the Riemannian geometry near the horizon. If a (D + 1)-dimensional manifold N has a bifurcate Killing horizon then we approximate N by a product of the two-dimensional Rindler space R 2 and a (D - 1)-dimensional Riemannian manifold M. We obtain approximate formulae for scalar Green's functions. We study the behavior of the Green's functions near the horizon and their dimensional reduction. We show that if M is compact then the Green's function near the horizon can be approximated by the Green's function of the two-dimensional quantum field theory. The correction term is exponentially small away from the horizon. We extend the results to black brane solutions of supergravity in 10 and 11 dimensions. The near-horizon geometry can be approximated by N=AdS p xS q . We discuss the Euclidean Green's functions on N and their behavior near the horizon.

Integrals of the motion, Green functions, and coherent states of dynamical systems

International Nuclear Information System (INIS)

Dodonov, V.V.; Malkin, I.A.; Man'ko, V.I.

1975-01-01

The connection between the integrals of the motion of a quantum system and its Green function is established. The Green function is shown to be the eigenfunction of the integrals of the motion which describe initial points of the system trajectory in the phase space of average coordinates and moments. The explicit expressions for the Green functions of the N-dimensional system with the Hamiltonians which is the most general quadratic form of coordinates and momenta with time-dependent coefficients is obtained in coordinate, momentum, and coherent states representations. The Green functions of the nonstationary singular oscillator and of the stationary Schroedinger equation are also obtained. (author)

Quantum-mechanical Green's functions and nonlinear superposition law

International Nuclear Information System (INIS)

Nassar, A.B.; Bassalo, J.M.F.; Antunes Neto, H.S.; Alencar, P. de T.S.

1986-01-01

The quantum-mechanical Green's function is derived for the problem of a time-dependent variable mass particle subject to a time-dependent forced harmonic oscillator potential by taking direct recourse of the corresponding Schroedinger equation. Through the usage of the nonlinear superposition law of Ray and Reid, it is shown that such a Green's function can be obtained from that for the problem of a particle with unit (constant) mass subject to either a forced harmonic potential with constant frequency or only to a time-dependent linear field. (Author) [pt

Quantum-mechanical Green's function and nonlinear superposition law

International Nuclear Information System (INIS)

Nassar, A.B.; Bassalo, J.M.F.; Antunes Neto, H.S.; Alencar, P.T.S.

1986-01-01

It is derived the quantum-mechanical Green's function for the problem of a time-dependent variable mass particle subject to a time-dependent forced harmonic-oscillator potential by taking direct recourse of the corresponding Schroedinger equation. Through the usage of the nonlinear superposition law of Ray and Reid, it is shown that such a Green's function can be obtained from that for the problem of a particle with unit (constant) mass subject to either a forced harmonic potential with constant frequency or only to a time-dependent linear field

Negative differential conductance in two-dimensional C-functionalized boronitrene

KAUST Repository

Obodo, J T

2015-09-10

It recently has been demonstrated that the large band gap of boronitrene can be significantly reduced by C functionalization. We show that specific defect configurations even can result in metallicity, raising interest in the material for electronic applications. We thus study the transport properties of C-functionalized boronitrene using the non-equilibrium Green\\'s function formalism. We investigate various zigzag and armchair defect configurations, spanning wide band gap semiconducting to metallic states. Unusual I–V characteristics are found and explained in terms of the energy and bias-dependent transmission coefficient and wavefunction. In particular, we demonstrate negative differential conductance with high peak-to-valley ratios, depending on the details of the substitutional doping, and identify the finite bias effects that are responsible for this behavior.

Temporal quadratic expansion nodal Green's function method

International Nuclear Information System (INIS)

Liu Cong; Jing Xingqing; Xu Xiaolin

2000-01-01

A new approach is presented to efficiently solve the three-dimensional space-time reactor dynamics equation which overcomes the disadvantages of current methods. In the Temporal Quadratic Expansion Nodal Green's Function Method (TQE/NGFM), the Quadratic Expansion Method (QEM) is used for the temporal solution with the Nodal Green's Function Method (NGFM) employed for the spatial solution. Test calculational results using TQE/NGFM show that its time step size can be 5-20 times larger than that of the Fully Implicit Method (FIM) for similar precision. Additionally, the spatial mesh size with NGFM can be nearly 20 times larger than that using the finite difference method. So, TQE/NGFM is proved to be an efficient reactor dynamics analysis method

The time-local view of nonequilibrium statistical mechanics. I. Linear theory of transport and relaxation

Science.gov (United States)

der, R.

1987-01-01

The various approaches to nonequilibrium statistical mechanics may be subdivided into convolution and convolutionless (time-local) ones. While the former, put forward by Zwanzig, Mori, and others, are used most commonly, the latter are less well developed, but have proven very useful in recent applications. The aim of the present series of papers is to develop the time-local picture (TLP) of nonequilibrium statistical mechanics on a new footing and to consider its physical implications for topics such as the formulation of irreversible thermodynamics. The most natural approach to TLP is seen to derive from the Fourier-Laplace transformwidetilde{C}(z)) of pertinent time correlation functions, which on the physical sheet typically displays an essential singularity at z=∞ and a number of macroscopic and microscopic poles in the lower half-plane corresponding to long- and short-lived modes, respectively, the former giving rise to the autonomous macrodynamics, whereas the latter are interpreted as doorway modes mediating the transfer of information from relevant to irrelevant channels. Possible implications of this doorway mode concept for socalled extended irreversible thermodynamics are briefly discussed. The pole structure is used for deriving new kinds of generalized Green-Kubo relations expressing macroscopic quantities, transport coefficients, e.g., by contour integrals over current-current correlation functions obeying Hamiltonian dynamics, the contour integration replacing projection. The conventional Green-Kubo relations valid for conserved quantities only are rederived for illustration. Moreover,widetilde{C}(z) may be expressed by a Laurent series expansion in positive and negative powers of z, from which a rigorous, general, and straightforward method is developed for extracting all macroscopic quantities from so-called secularly divergent expansions ofwidetilde{C}(z) as obtained from the application of conventional many-body techniques to the calculation

A relationship between scalar Green functions on hyperbolic and Euclidean Rindler spaces

International Nuclear Information System (INIS)

Haba, Z

2007-01-01

We derive a formula connecting in any dimension the Green function on the (D + 1)-dimensional Euclidean Rindler space and the one for a minimally coupled scalar field with a mass m in the D-dimensional hyperbolic space. The relation takes a simple form in the momentum space where the Green functions are equal at the momenta (p 0 , p) for Rindler and (m,p-hat) for hyperbolic space with a simple additive relation between the squares of the mass and the momenta. The formula has applications to finite temperature Green functions, Green functions on the cone and on the (compactified) Milne spacetime. Analytic continuations and interacting quantum fields are briefly discussed

Importance sampling large deviations in nonequilibrium steady states. I

Science.gov (United States)

Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T.

2018-03-01

Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult because by construction they depend on exponentially rare events. In this first paper of a series, we evaluate different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We illustrate some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.

Importance sampling large deviations in nonequilibrium steady states. I.

Science.gov (United States)

Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T

2018-03-28

Large deviation functions contain information on the stability and response of systems driven into nonequilibrium steady states and in such a way are similar to free energies for systems at equilibrium. As with equilibrium free energies, evaluating large deviation functions numerically for all but the simplest systems is difficult because by construction they depend on exponentially rare events. In this first paper of a series, we evaluate different trajectory-based sampling methods capable of computing large deviation functions of time integrated observables within nonequilibrium steady states. We illustrate some convergence criteria and best practices using a number of different models, including a biased Brownian walker, a driven lattice gas, and a model of self-assembly. We show how two popular methods for sampling trajectory ensembles, transition path sampling and diffusion Monte Carlo, suffer from exponentially diverging correlations in trajectory space as a function of the bias parameter when estimating large deviation functions. Improving the efficiencies of these algorithms requires introducing guiding functions for the trajectories.

Axioms for Euclidean Green's functions. Pt. 2

International Nuclear Information System (INIS)

Osterwalder, K.; Schrader, R.

1975-01-01

We give new (necessary and) sufficient conditions for Euclidean Green's functions to have analytic continuations to a relativistic field theory. These results extend and correct a previous paper. (orig.) [de

A passive inverse filter for Green's function retrieval.

Science.gov (United States)

Gallot, Thomas; Catheline, Stefan; Roux, Philippe; Campillo, Michel

2012-01-01

Passive methods for the recovery of Green's functions from ambient noise require strong hypotheses, including isotropic distribution of the noise sources. Very often, this distribution is nonisotropic, which introduces bias in the Green's function reconstruction. To minimize this bias, a spatiotemporal inverse filter is proposed. The method is tested on a directive noise field computed from an experimental active seismic data set. The results indicate that the passive inverse filter allows the manipulation of the spatiotemporal degrees of freedom of a complex wave field, and it can efficiently compensate for the noise wavefield directivity. © 2012 Acoustical Society of America.

Multiloop world-line Green functions from string theory

International Nuclear Information System (INIS)

Roland, K.; Sato, H.T.

1996-01-01

We show how the multiloop bosonic Green function of closed string theory reduces to the world-line Green function as defined by Schmidt and Schubert in the limit where the string world-sheet degenerates into a Φ 3 particle diagram. To obtain this correspondence we have to make an appropriate choice of the local coordinates defined on the degenerate string world sheet. We also present a set of simple rules that specify, in the explicit setting of the Schottky parametrization, which is the corner of moduli space corresponding to a given multiloop Φ 3 diagram. (orig.)

Development of thermal stress screening method. Application of green function method

International Nuclear Information System (INIS)

Furuhashi, Ichiro; Shibamoto, Hiroshi; Kasahara, Naoto

2004-01-01

This work was achieved for the development of the screening method of thermal transient stresses in FBR components. We proposed an approximation method for evaluations of thermal stress under variable heat transfer coefficients (non-linear problems) using the Green functions of thermal stresses with constant heat transfer coefficients (linear problems). Detailed thermal stress analyses provided Green functions for a skirt structure and a tube-sheet of Intermediate Heat Exchanger. The upper bound Green functions were obtained by the analyses using those upper bound heat transfer coefficients. The medium and the lower bound Green functions were got by the analyses of those under medium and the lower bound heat transfer coefficients. Conventional evaluations utilized the upper bound Green functions. On the other hand, we proposed a new evaluation method by using the upper bound, medium and the lower bound Green functions. The comparison of above results gave the results as follows. The conventional evaluations were conservative and appropriate for the cases under one fluid thermal transient structure such as the skirt. The conventional evaluations were generally conservative for the complicated structures under two or more fluids thermal transients such as the tube-sheet. But the danger locations could exists for the complicated structures under two or more fluids transients, namely the conventional evaluations were non-conservative. The proposed evaluations gave good estimations for these complicated structures. Though above results, we have made the basic documents of the screening method of thermal transient stresses using the conventional method and the new method. (author)

Zubarev's Nonequilibrium Statistical Operator Method in the Generalized Statistics of Multiparticle Systems

Science.gov (United States)

Glushak, P. A.; Markiv, B. B.; Tokarchuk, M. V.

2018-01-01

We present a generalization of Zubarev's nonequilibrium statistical operator method based on the principle of maximum Renyi entropy. In the framework of this approach, we obtain transport equations for the basic set of parameters of the reduced description of nonequilibrium processes in a classical system of interacting particles using Liouville equations with fractional derivatives. For a classical systems of particles in a medium with a fractal structure, we obtain a non-Markovian diffusion equation with fractional spatial derivatives. For a concrete model of the frequency dependence of a memory function, we obtain generalized Kettano-type diffusion equation with the spatial and temporal fractality taken into account. We present a generalization of nonequilibrium thermofield dynamics in Zubarev's nonequilibrium statistical operator method in the framework of Renyi statistics.

Finite medium Green's function solutions to nuclide transport in porous media

International Nuclear Information System (INIS)

Oston, S.G.

1979-01-01

Current analytical techniques for predicting the transport of nuclides in porous materials center on the Green's function approach - i.e., determining the response characteristics of a geologic pathway to an impulse function input. To data, the analyses all have set the boundary conditions needed to solve the 1-D transport equation as though each pathway were infinite in length. The purpose of this work is to critically examine the effect that this infinite pathway assumption has on Green's function models of nuclide transport in porous media. The work described herein has directly attacked the more difficult problem of obtaining suitable Green's functions for finite pathways whose dimensions, in fact, may not be much greater than the diffusion length. Two different finite media Green's functions describing the nuclide mass flux have been determined, depending on whether the pathway is terminated by a high or a low flow resistance at the outlet end. Pulse shapes and peak amplitudes have been computed for each Green's function over a wide range of geohydrologic parameters. These results have been compared to both infinite and semi-infinite medium solutions. It was found that predicted pulse shapes are quite sensitive to selection of a Green's function model for short pathways only. For long pathways all models tend toward a symmetric Gaussian flux-time history at the outlet. Thus, the results of our previous waste transport studies using the infinite pathway assumption are still generally valid because they always included at least one long pathway. It was also found that finite medium models offer some unique computational advantages for evaluating nuclide transport in a series of connecting pathways

Open problems in non-equilibrium physics

International Nuclear Information System (INIS)

Kusnezov, D.

1997-01-01

The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions

Open problems in non-equilibrium physics

Energy Technology Data Exchange (ETDEWEB)

Kusnezov, D.

1997-09-22

The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

Definition of Nonequilibrium Entropy of General Systems

OpenAIRE

Mei, Xiaochun

1999-01-01

The definition of nonequilibrium entropy is provided for the general nonequilibrium processes by connecting thermodynamics with statistical physics, and the principle of entropy increment in the nonequilibrium processes is also proved in the paper. The result shows that the definition of nonequilibrium entropy is not unique.

An expression of excess work during the transition between nonequilibrium steady states

International Nuclear Information System (INIS)

Yuge, Tatsuro

2014-01-01

Excess work is a nondiverging part of the work during the transition between nonequilibrium steady states (NESSs). It is a central quantity in steady-state thermodynamics (SST), which is a candidate for nonequilibrium thermodynamics theory. We derive an expression of excess work during quasistatic transitions between NESSs by using the macroscopic linear response relation of the NESS. This expression is a line integral of a vector potential in the space of control parameters. We show a relationship between the vector potential and the response function of the NESS, and thus obtain a relationship between the SST and a macroscopic quantity. We also connect the macroscopic formulation to microscopic physics through a microscopic expression of the nonequilibrium response function, which gives a result that is consistent with previous studies. (paper)

Non-equilibrium scaling analysis of the Kondo model with voltage bias

International Nuclear Information System (INIS)

Fritsch, Peter; Kehrein, Stefan

2009-01-01

The quintessential description of Kondo physics in equilibrium is obtained within a scaling picture that shows the buildup of Kondo screening at low temperature. For the non-equilibrium Kondo model with a voltage bias, the key new feature are decoherence effects due to the current across the impurity. In the present paper, we show how one can develop a consistent framework for studying the non-equilibrium Kondo model within a scaling picture of infinitesimal unitary transformations (flow equations). Decoherence effects appear naturally in third order of the β-function and dominate the Hamiltonian flow for sufficiently large voltage bias. We work out the spin dynamics in non-equilibrium and compare it with finite temperature equilibrium results. In particular, we report on the behavior of the static spin susceptibility including leading logarithmic corrections and compare it with the celebrated equilibrium result as a function of temperature.

Non-equilibrium fluctuation-induced interactions

International Nuclear Information System (INIS)

Dean, David S

2012-01-01

We discuss non-equilibrium aspects of fluctuation-induced interactions. While the equilibrium behavior of such interactions has been extensively studied and is relatively well understood, the study of these interactions out of equilibrium is relatively new. We discuss recent results on the non-equilibrium behavior of systems whose dynamics is of the dissipative stochastic type and identify a number of outstanding problems concerning non-equilibrium fluctuation-induced interactions.

Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States

Science.gov (United States)

De Nardis, Jacopo; Panfil, Miłosz

2018-05-01

The singularities of the dynamical response function are one of the most remarkable effects in many-body interacting systems. However in one dimension these divergences only exist strictly at zero temperature, making their observation very difficult in most cold atomic experimental settings. Moreover the presence of a finite temperature destroys another feature of one-dimensional quantum liquids: the real space quasilong-range order in which the spatial correlation functions exhibit power-law decay. We consider a nonequilibrium protocol where two interacting Bose gases are prepared either at different temperatures or chemical potentials and then joined. We show that the nonequilibrium steady state emerging at large times around the junction displays edge singularities in the response function and quasilong-range order.

Efficient Ab-Initio Electron Transport Calculations for Heterostructures by the Nonequilibrium Green’s Function Method

Directory of Open Access Journals (Sweden)

Hirokazu Takaki

2014-01-01

Full Text Available We present an efficient computation technique for ab-initio electron transport calculations based on density functional theory and the nonequilibrium Green’s function formalism for application to heterostructures with two-dimensional (2D interfaces. The computational load for constructing the Green’s functions, which depends not only on the energy but also on the 2D Bloch wave vector along the interfaces and is thus catastrophically heavy, is circumvented by parallel computational techniques with the message passing interface, which divides the calculations of the Green’s functions with respect to energy and wave vectors. To demonstrate the computational efficiency of the present code, we perform ab-initio electron transport calculations of Al(100-Si(100-Al(100 heterostructures, one of the most typical metal-semiconductor-metal systems, and show their transmission spectra, density of states (DOSs, and dependence on the thickness of the Si layers.

Plant functional traits predict green roof ecosystem services.

Science.gov (United States)

Lundholm, Jeremy; Tran, Stephanie; Gebert, Luke

2015-02-17

Plants make important contributions to the services provided by engineered ecosystems such as green roofs. Ecologists use plant species traits as generic predictors of geographical distribution, interactions with other species, and ecosystem functioning, but this approach has been little used to optimize engineered ecosystems. Four plant species traits (height, individual leaf area, specific leaf area, and leaf dry matter content) were evaluated as predictors of ecosystem properties and services in a modular green roof system planted with 21 species. Six indicators of ecosystem services, incorporating thermal, hydrological, water quality, and carbon sequestration functions, were predicted by the four plant traits directly or indirectly via their effects on aggregate ecosystem properties, including canopy density and albedo. Species average height and specific leaf area were the most useful traits, predicting several services via effects on canopy density or growth rate. This study demonstrates that easily measured plant traits can be used to select species to optimize green roof performance across multiple key services.

Dual number algebra method for Green's function derivatives in 3D magneto-electro-elasticity

Science.gov (United States)

Dziatkiewicz, Grzegorz

2018-01-01

The Green functions are the basic elements of the boundary element method. To obtain the boundary integral formulation the Green function and its derivative should be known for the considered differential operator. Today the interesting group of materials are electronic composites. The special case of the electronic composite is the magnetoelectroelastic continuum. The mentioned continuum is a model of the piezoelectric-piezomagnetic composites. The anisotropy of their physical properties makes the problem of Green's function determination very difficult. For that reason Green's functions for the magnetoelectroelastic continuum are not known in the closed form and numerical methods should be applied to determine such Green's functions. These means that the problem of the accurate and simply determination of Green's function derivatives is even harder. Therefore in the present work the dual number algebra method is applied to calculate numerically the derivatives of 3D Green's functions for the magnetoelectroelastic materials. The introduced method is independent on the step size and it can be treated as a special case of the automatic differentiation method. Therefore, the dual number algebra method can be applied as a tool for checking the accuracy of the well-known finite difference schemes.

Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions

Science.gov (United States)

Kraberger, Gernot J.; Triebl, Robert; Zingl, Manuel; Aichhorn, Markus

2017-10-01

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some frequency ranges. In that way, all matrix elements of the Green's function matrix can be analytically continued; we introduce a computationally cheap element-wise method for this purpose. However, this method cannot ensure important constraints on the mathematical properties of the resulting spectral functions, namely positive semidefiniteness and Hermiticity. To improve on this, we present a full matrix formalism, where all matrix elements are treated simultaneously. We show the capabilities of these methods using insulating and metallic dynamical mean-field theory (DMFT) Green's functions as test cases. Finally, we apply the methods to realistic material calculations for LaTiO3, where off-diagonal matrix elements in the Green's function appear due to the distorted crystal structure.

Non-equilibrium thermodynamical description of rhythmic motion patterns of active systems: a canonical-dissipative approach.

Science.gov (United States)

Dotov, D G; Kim, S; Frank, T D

2015-02-01

We derive explicit expressions for the non-equilibrium thermodynamical variables of a canonical-dissipative limit cycle oscillator describing rhythmic motion patterns of active systems. These variables are statistical entropy, non-equilibrium internal energy, and non-equilibrium free energy. In particular, the expression for the non-equilibrium free energy is derived as a function of a suitable control parameter. The control parameter determines the Hopf bifurcation point of the deterministic active system and describes the effective pumping of the oscillator. In analogy to the equilibrium free energy of the Landau theory, it is shown that the non-equilibrium free energy decays as a function of the control parameter. In doing so, a similarity between certain equilibrium and non-equilibrium phase transitions is pointed out. Data from an experiment on human rhythmic movements is presented. Estimates for pumping intensity as well as the thermodynamical variables are reported. It is shown that in the experiment the non-equilibrium free energy decayed when pumping intensity was increased, which is consistent with the theory. Moreover, pumping intensities close to zero could be observed at relatively slow intended rhythmic movements. In view of the Hopf bifurcation underlying the limit cycle oscillator model, this observation suggests that the intended limit cycle movements were actually more similar to trajectories of a randomly perturbed stable focus. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Green function for three-wave coupling problems

International Nuclear Information System (INIS)

Molevich, N E

2001-01-01

The Green function is found for three-wave coupling problems. The function was used for analysis of parametric amplification in dissipative and active media. It is shown that the parametric increment in active media can become exponential. As an example, the nonstationary stimulated scattering of electromagnetic waves by sound and temperatures waves is considered. (nonlinear optical phenomena)

Construction of Green's functions for the Black-Scholes equation

Directory of Open Access Journals (Sweden)

Yuri A. Melnikov

2007-11-01

Full Text Available A technique is proposed for the construction of Green's functions for terminal-boundary value problems of the Black-Scholes equation. The technique permits an application to a variety of problems that vary by boundary conditions imposed. This is possible by extension of an approach that was earlier developed for partial differential equations in applied mechanics. The technique is based on the method of integral Laplace transform and the method of variation of parameters. It provides closed form analytic representations for the constructed Green's functions.

Green's theorem and Green's functions for the steady-state cosmic-ray equation of transport

International Nuclear Information System (INIS)

Webb, G.M.; Gleeson, L.J.

1977-01-01

Green's Theorem is developed for the spherically-symmetric steady-state cosmic-ray equation of transport in interplanetary space. By means of it the momentum distribution function F 0 (r,p), (r=heliocentric distance, p=momentum) can be determined in a region rsub(a) 0 . Examples of Green's functions are given for the case rsub(a)=0, rsub(b)=infinity and derived for the cases of finite rsub(a) and rsub(b). The diffusion coefficient kappa is assumed of the form kappa=kappa 0 (p)rsup(b). The treatment systematizes the development of all analytic solutions for steady-state solar and galactic cosmic-ray propagation and previous solutions form a subset of the present solutions. (Auth.)

The one-loop Green's functions of dimensionally reduced gauge theories

International Nuclear Information System (INIS)

Ketov, S.V.; Prager, Y.S.

1988-01-01

The dimensional regularization technique as well as that by dimensional reduction is applied to the calculation of the regularized one-loop Green's functions in dsub(o)-dimensional Yang-Mills theory with real massless scalars and spinors in arbitrary (real) representations of a gauge group G. As a particular example, the super-symmetrically regularized one-loop Green's functions of the N=4 supersymmetric Yang-Mills model are derived. (author). 17 refs

The entropy concept for non-equilibrium states.

Science.gov (United States)

Lieb, Elliott H; Yngvason, Jakob

2013-10-08

In earlier work, we presented a foundation for the second law of classical thermodynamics in terms of the entropy principle. More precisely, we provided an empirically accessible axiomatic derivation of an entropy function defined on all equilibrium states of all systems that has the appropriate additivity and scaling properties, and whose increase is a necessary and sufficient condition for an adiabatic process between two states to be possible. Here, after a brief review of this approach, we address the question of defining entropy for non-equilibrium states. Our conclusion is that it is generally not possible to find a unique entropy that has all relevant physical properties. We do show, however, that one can define two entropy functions, called S - and S + , which, taken together, delimit the range of adiabatic processes that can occur between non-equilibrium states. The concept of comparability of states with respect to adiabatic changes plays an important role in our reasoning.

THE GREEN'S FUNCTIONS OF SUPERCONDUCTIVITY- A REVIEW

African Journals Online (AJOL)

users

2013-02-21

Feb 21, 2013 ... We present some basic Green's functions of superconductivity, ... show that the Gorkov interaction under a certain condition sustains .... We may then apply Wick's theorem(Lifshitz and Pitayevsky,1980) to the eqn(18) to have.

Nonequilibrium Phenomena in Plasmas

CERN Document Server

Sharma, A Surjalal

2005-01-01

The complexity of plasmas arises mainly from their inherent nonlinearity and far from equilibrium nature. The nonequilibrium behavior of plasmas is evident in the natural settings, for example, in the Earth's magnetosphere. Similarly, laboratory plasmas such as fusion bottles also have their fair share of complex behavior. Nonequilibrium phenomena are intimately connected with statistical dynamics and form one of the growing research areas in modern nonlinear physics. These studies encompass the ideas of self-organization, phase transition, critical phenomena, self-organized criticality and turbulence. This book presents studies of complexity in the context of nonequilibrium phenomena using theory, modeling, simulations, and experiments, both in the laboratory and in nature.

Infinite-mode squeezed coherent states and non-equilibrium statistical mechanics (phase-space-picture approach)

International Nuclear Information System (INIS)

Yeh, L.

1992-01-01

The phase-space-picture approach to quantum non-equilibrium statistical mechanics via the characteristic function of infinite- mode squeezed coherent states is introduced. We use quantum Brownian motion as an example to show how this approach provides an interesting geometrical interpretation of quantum non-equilibrium phenomena

Exact solutions for fermionic Green's functions in the Bloch-Nordsieck approximation of QED

International Nuclear Information System (INIS)

Kernemann, A.; Stefanis, N.G.

1989-01-01

A set of new closed-form solutions for fermionic Green's functions in the Bloch-Nordsieck approximation of QED is presented. A manifestly covariant phase-space path-integral method is applied for calculating the n-fermion Green's function in a classical external field. In the case of one and two fermions, explicit expressions for the full Green's functions are analytically obtained, with renormalization carried out in the modified minimal subtraction scheme. The renormalization constants and the corresponding anomalous dimensions are determined. The mass-shell behavior of the two-fermion Green's function is investigated in detail. No assumptions are made concerning the structure of asymptotic states and no IR cutoff is used in the calculations

Non-grey benchmark results for two temperature non-equilibrium radiative transfer

International Nuclear Information System (INIS)

Su, B.; Olson, G.L.

1999-01-01

Benchmark solutions to time-dependent radiative transfer problems involving non-equilibrium coupling to the material temperature field are crucial for validating time-dependent radiation transport codes. Previous efforts on generating analytical solutions to non-equilibrium radiative transfer problems were all restricted to the one-group grey model. In this paper, a non-grey model, namely the picket-fence model, is considered for a two temperature non-equilibrium radiative transfer problem in an infinite medium. The analytical solutions, as functions of space and time, are constructed in the form of infinite integrals for both the diffusion description and transport description. These expressions are evaluated numerically and the benchmark results are generated. The asymptotic solutions for large and small times are also derived in terms of elementary functions and are compared with the exact results. Comparisons are given between the transport and diffusion solutions and between the grey and non-grey solutions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Non-dissipative effects in nonequilibrium systems

CERN Document Server

Maes, Christian

2018-01-01

This book introduces and discusses both the fundamental aspects and the measurability of applications of time-symmetric kinetic quantities, outlining the features that constitute the non-dissipative branch of non-equilibrium physics. These specific features of non-equilibrium dynamics have largely been ignored in standard statistical mechanics texts. This introductory-level book offers novel material that does not take the traditional line of extending standard thermodynamics to the irreversible domain. It shows that although stationary dissipation is essentially equivalent with steady non-equilibrium and ubiquitous in complex phenomena, non-equilibrium is not determined solely by the time-antisymmetric sector of energy-entropy considerations. While this should not be very surprising, this book provides timely, simple reminders of the role of time-symmetric and kinetic aspects in the construction of non-equilibrium statistical mechanics.

Non-equilibrium spectroscopy of high-Tc superconductors

International Nuclear Information System (INIS)

Krasnov, V M

2009-01-01

In superconductors, recombination of two non-equilibrium quasiparticles into a Cooper pair results in emission of excitation that mediates superconductivity. This is the basis of the proposed new type of 'non-equilibrium' spectroscopy of high T c superconductors, which may open a possibility for direct and unambiguous determination of the coupling mechanism of high T c superconductivity. In case of low T c superconductors, the feasibility of such the non-equilibrium spectroscopy was demonstrated in classical phonon generation-detection experiments almost four decades ago. Recently it was demonstrated that a similar technique can be used for high T c superconductors, using natural intrinsic Josephson junctions both for injection of non-equilibrium quasiparticles and for detection of the non-equilibrium radiation. Here I analyze theoretically non-equilibrium phenomena in intrinsic Josephson junctions. It is shown that extreme non-equilibrium state can be achieved at bias equal to integer number of the gap voltage, which can lead to laser-like emission from the stack. I argue that identification of the boson type, constituting this non-equilibrium radiation would unambiguously reveal the coupling mechanism of high Tc superconductors.

Green's function approach to neutron flux discontinuities

International Nuclear Information System (INIS)

Saad, E.A.; El-Wakil, S.A.

1980-01-01

The present work is devoted to the presentation of analytical method for the calculation of elastically and inelastically slowed down neutrons in an infinite non-absorbing medium. On the basis of the central limit theory (CLT) and the integral transform technique the slowing down equation including inelastic scattering, in terms of the Green function of elastic scattering, is solved. The Green function is decomposed according to the number of collisions. Placzec discontinuity associated with elastic scattering in addition to two discontinuities due to inelastic scattering are investigated. Numerical calculations for Fe 56 show that the elastic discontinuity produces about 41.8% change in the collision density whilst the ratio of the inelastic collision density discontinuity at qsub(o)sup(+) to the Placzec discontinuity at usub(o) + 1n 1/oc gives 55.7 percent change. (author)

Green's functions for spin half field theory in Rindler space

Energy Technology Data Exchange (ETDEWEB)

Iyer, B R; Kumar, Arvind [Birla Inst. of Tech., Ranchi (India). Dept. of Physics

1977-11-01

The solutions of Dirac equation in different regions of the complete extension of Rindler space are obtained near the event horizons and in the asymptotic limits. Continuity of these solutions across the event horizons is established. The Green's functions are written down in the two casually disconnected regions, continued in the future (F) and past (P) regions using the techniques a la Boulware and a consistent scheme of Green's functions in all regions is exhibited.

Computing the real-time Green's Functions of large Hamiltonian matrices

OpenAIRE

Iitaka, Toshiaki

1998-01-01

A numerical method is developed for calculating the real time Green's functions of very large sparse Hamiltonian matrices, which exploits the numerical solution of the inhomogeneous time-dependent Schroedinger equation. The method has a clear-cut structure reflecting the most naive definition of the Green's functions, and is very suitable to parallel and vector supercomputers. The effectiveness of the method is illustrated by applying it to simple lattice models. An application of this method...

Accurate calculation of Green functions on the d-dimensional hypercubic lattice

International Nuclear Information System (INIS)

Loh, Yen Lee

2011-01-01

We write the Green function of the d-dimensional hypercubic lattice in a piecewise form covering the entire real frequency axis. Each piece is a single integral involving modified Bessel functions of the first and second kinds. The smoothness of the integrand allows both real and imaginary parts of the Green function to be computed quickly and accurately for any dimension d and any real frequency, and the computational time scales only linearly with d.

Preequilibrium decay models and the quantum Green function method

International Nuclear Information System (INIS)

Zhivopistsev, F.A.; Rzhevskij, E.S.; Gosudarstvennyj Komitet po Ispol'zovaniyu Atomnoj Ehnergii SSSR, Moscow. Inst. Teoreticheskoj i Ehksperimental'noj Fiziki)

1977-01-01

The nuclear process mechanism and preequilibrium decay involving complex particles are expounded on the basis of the Green function formalism without the weak interaction assumptions. The Green function method is generalized to a general nuclear reaction: A+α → B+β+γ+...rho, where A is the target nucleus, α is a complex particle in the initial state, B is the final nucleus, and β, γ, ... rho are nuclear fragments in the final state. The relationship between the generalized Green function and Ssub(fi)-matrix is established. The resultant equations account for: 1) direct and quasi-direct processes responsible for the angular distribution asymmetry of the preequilibrium component; 2) the appearance of addends corresponding to the excitation of complex states of final nucleus; and 3) the relationship between the preequilibrium decay model and the general models of nuclear reaction theories (Lippman-Schwinger formalism). The formulation of preequilibrium emission via the S(T) matrix allows to account for all the differential terms in succession important to an investigation of the angular distribution assymetry of emitted particles

Physical phenomena in a low-temperature non-equilibrium plasma and in MHD generators with non-equilibrium conductivity

International Nuclear Information System (INIS)

Velikhov, E.P.; Golubev, V.S.; Dykhne, A.M.

1976-01-01

The paper assesses the position in 1975 of theoretical and experimental work on the physics of a magnetohydrodynamic generator with non-equilibrium plasma conductivity. This research started at the beginning of the 1960s; as work on the properties of thermally non-equilibrium plasma in magnetic fields and also in MHD generator ducts progressed, a number of phenomena were discovered and investigated that had either been unknown in plasma physics or had remained uninvestigated until that time: ionization instability and ionization turbulence of plasma in a magnetic field, acoustic instability of a plasma with anisotropic conductivity, the non-equilibrium ionization wave and the energy balance of a non-equilibrium plasma. At the same time, it was discovered what physical requirements an MHD generator with non-equilibrium conductivity must satisfy to achieve high efficiency in converting the thermal or kinetic energy of the gas flow into electric energy. The experiments on MHD power generation with thermally non-equilibrium plasma carried out up to 1975 indicated that it should be possible to achieve conversion efficiencies of up to 20-30%. (author)

Recent Advances in the Korringa-Kohn-Rostoker Green Function Method

Directory of Open Access Journals (Sweden)

Zeller Rudolf

2014-01-01

Full Text Available The Korringa-Kohn-Rostoker (KKR Green function (GF method is a technique for all-electron full-potential density-functional calculations. Similar to the historical Wigner-Seitz cellular method, the KKR-GF method uses a partitioning of space into atomic Wigner-Seitz cells. However, the numerically demanding wave-function matching at the cell boundaries is avoided by use of an integral equation formalism based on the concept of reference Green functions. The advantage of this formalism will be illustrated by the recent progress made for very large systems with thousands of inequivalent atoms and for very accurate calculations of atomic forces and total energies.

Green's functions for spin half field theory in Rindler space

International Nuclear Information System (INIS)

Iyer, B.R.; Kumar, Arvind

1977-01-01

The solutions of Dirac equation in different regions of the complete extension of Rindler space are obtained near the event horizons and in the asymptotic limits. Continuity of these solutions across the event horizons is established. The Green's functions are written down in the two casually disconnected regions, continued in the future (F) and past (P) regions using the techniques a la Boulware and a consistent scheme of Green's functions in all regions is exhibited. (author)

Bi-conformal symmetry and static Green functions in the Schwarzschild-Tangherlini spacetimes

International Nuclear Information System (INIS)

Frolov, Valeri P.; Zelnikov, Andrei

2015-01-01

We study a static massless minimally coupled scalar field created by a source in a static D-dimensional spacetime. We demonstrate that the corresponding equation for this field is invariant under a special transformation of the background metric. This transformation consists of the static conformal transformation of the spatial part of the metric accompanied by a properly chosen transformation of the red-shift factor. Both transformations are determined by one function Ω of the spatial coordinates. We show that in a case of higher dimensional spherically symmetric black holes one can find such a bi-conformal transformation that the symmetry of the D-dimensional metric is enhanced after its application. Namely, the metric becomes a direct sum of the metric on a unit sphere and the metric of 2D anti-de Sitter space. The method of the heat kernels is used to find the Green function in this new space, which allows one, after dimensional reduction, to obtain a static Green function in the original space of the static black hole. The general useful representation of static Green functions is obtained in the Schwarzschild-Tangherlini spacetimes of arbitrary dimension. The exact explicit expressions for the static Green functions are obtained in such metrics for D<6. It is shown that in the four dimensional case the corresponding Green function coincides with the Copson solution.

On microscopic stress nonequilibrium: Application to the magnetopause

International Nuclear Information System (INIS)

Wu, Z.J.

1986-01-01

The main purpose of this paper is to propose the concept of microscopic stress nonequilibrium (or simply micro-nonequilibrium) in plasma physics. This concept arises as a consequence of the insolubility of the steady-state Vlasov-Maxwell equations (or the kinetic-field equations in general) under certain conditions. In what follows: (1) A general stress equilibrium condition for tangential plasma discontinuities is derived from the Maxwell tensor and the plasma stress tensor. (2) An equivalent equilibrium condition, which takes the form of equations of motion of a ''fictitious particle'', is also derived from the above condition. (3) A general solution of the distribution functions is derived according to Jeans's theorem or Liouville's theorem for the solar wind particles in a tangential magnetopause. (4) This solution is applied to the equilibrium condition to investigate the equilibrium state of the tangential magnetopause. Both Parker's tail-region and Wu's dawn-side ''nonequilibria''are confirmed to be micro-nonequilibria because of the violation of the above equilibrium condition. (5) The effects of various factors in micro-nonequilibria are discussed. It is found that randomly trapped particles and inwards electric field in the magnetopause layer generally cannot relieve the dawn-side or tail-region micro-nonequilibria; and that a northward magnetic field in the solar wind generally can suppress the dawn-side nonequilibrium, while a southward field can jeopardize a dusk-side Vlasov equilibrium. (6) Discussion: The concept of ''micro-nonequilibrium'' may become of importance in basic plasma dynamics. It is also possible that the micro-nonequilibrium may play a fundamental role in solar wind particles entering the magnetopause and in magnetospheric substorms

Correlations in Many-Body systems from two-time Greens functions

International Nuclear Information System (INIS)

Morawetz, K.; Kohler, H.S.

2000-01-01

The Kadanoff-Baym (KB) equations are solved numerically for infinite nuclear matter. In particular we calculate correlation energies and correlation times. Approximating the Green's functions in the KB collision kernel by the free Green's functions the Levinson equation is obtained. This approximation is valid for weak interactions and/or low densities. It relates to the extended quasi-particle approximation for the spectral function. The Levinson correlation energy reduces for large times to a second order Born approximation for the energy. Comparing the Levinson, Born and KB calculations allows for an estimate of higher order spectral corrections to the correlations. (authors)

Vector Green's function algorithm for radiative transfer in plane-parallel atmosphere

Energy Technology Data Exchange (ETDEWEB)

Qin Yi [School of Physics, University of New South Wales (Australia)]. E-mail: yi.qin@csiro.au; Box, Michael A. [School of Physics, University of New South Wales (Australia)

2006-01-15

Green's function is a widely used approach for boundary value problems. In problems related to radiative transfer, Green's function has been found to be useful in land, ocean and atmosphere remote sensing. It is also a key element in higher order perturbation theory. This paper presents an explicit expression of the Green's function, in terms of the source and radiation field variables, for a plane-parallel atmosphere with either vacuum boundaries or a reflecting (BRDF) surface. Full polarization state is considered but the algorithm has been developed in such way that it can be easily reduced to solve scalar radiative transfer problems, which makes it possible to implement a single set of code for computing both the scalar and the vector Green's function.

Green-function description of dense polymeric systems

NARCIS (Netherlands)

Schoot, van der P.P.A.M.

2000-01-01

A self-consistent Green-function description of concentrated polymer solutions and dense polymeric melts is presented. The method, which applies to both uniform and nonuniform systems, is used in this work to calculate the static structure factor of a homogeneous fluid of Gaussian model chains.

The calculation of viscosity of liquid n-decane and n-hexadecane by the Green-Kubo method

Science.gov (United States)

Cui, S. T.; Cummings, P. T.; Cochran, H. D.

This short commentary presents the result of long molecular dynamics simulation calculations of the shear viscosity of liquid n-decane and n-hexadecane using the Green-Kubo integration method. The relaxation time of the stress-stress correlation function is compared with those of rotation and diffusion. The rotational and diffusional relaxation times, which are easy to calculate, provide useful guides for the required simulation time in viscosity calculations. Also, the computational time required for viscosity calculations of these systems by the Green-Kubo method is compared with the time required for previous non-equilibrium molecular dynamics calculations of the same systems. The method of choice for a particular calculation is determined largely by the properties of interest, since the efficiencies of the two methods are comparable for calculation of the zero strain rate viscosity.

Equivalence of the equilibrium and the nonequilibrium molecular dynamics methods for thermal conductivity calculations: From bulk to nanowire silicon

Science.gov (United States)

Dong, Haikuan; Fan, Zheyong; Shi, Libin; Harju, Ari; Ala-Nissila, Tapio

2018-03-01

Molecular dynamics (MD) simulations play an important role in studying heat transport in complex materials. The lattice thermal conductivity can be computed either using the Green-Kubo formula in equilibrium MD (EMD) simulations or using Fourier's law in nonequilibrium MD (NEMD) simulations. These two methods have not been systematically compared for materials with different dimensions and inconsistencies between them have been occasionally reported in the literature. Here we give an in-depth comparison of them in terms of heat transport in three allotropes of Si: three-dimensional bulk silicon, two-dimensional silicene, and quasi-one-dimensional silicon nanowire. By multiplying the correlation time in the Green-Kubo formula with an appropriate effective group velocity, we can express the running thermal conductivity in the EMD method as a function of an effective length and directly compare it to the length-dependent thermal conductivity in the NEMD method. We find that the two methods quantitatively agree with each other for all the systems studied, firmly establishing their equivalence in computing thermal conductivity.

Momentum-space representation of Green's functions with modified dispersion on ultrastatic space-time

International Nuclear Information System (INIS)

Rinaldi, Massimiliano

2007-01-01

We consider Green's functions associated to a scalar field propagating on a curved, ultrastatic background, in the presence of modified dispersion relations. The usual proper-time DeWitt-Schwinger procedure to obtain a series representation of Green's functions is doomed to failure because of higher order spatial derivatives in the Klein-Gordon operator. We show how to overcome this difficulty by considering a preferred frame, associated to a unit timelike vector. With respect to this frame, we can express Green's functions as an integral over all frequencies of a space-dependent function. The latter can be expanded in momentum space, as a series with geometric coefficients similar to the DeWitt-Schwinger ones. By integrating over all frequencies, we finally find the expansion of Green's function up to four derivatives of the metric tensor. The relation with the proper-time formalism is also discussed

Green's functions in Bianchi type-I spaces. Relation between Minkowski and Euclidean approaches

International Nuclear Information System (INIS)

Bukhbinder, I.L.; Kirillova, E.N.

1988-01-01

A theory is considered for a free scalar field with a conformal connection in a curved space-time with a Bianchi type-I metric. A representation is obtained for the Green's function G∼ in in in the form of an integral of a Schwinger-DeWitt kernel along a contour in a plane of complex-valued proper time. It is shown how as transition may be accomplished from Green's functions in space with the Euclidean signature to Green's functions in space with Minkowski signature and vice versa

Thermodynamical and Green function many-body Wick theorems

International Nuclear Information System (INIS)

Westwanski, B.

1987-01-01

The thermodynamical and Green function many-body reduction theorems of Wick type are proved for the arbitrary mixtures of the fermion, boson and spin systems. ''Many-body'' means that the operators used are the products of the arbitrary number of one-body standard basis operators [of the fermion or (and) spin types] with different site (wave vector) indices, but having the same ''time'' (in the interaction representation). The method of proving is based on'' 1) the first-order differential equation of Schwinger type for: 1a) anti T-product of operators; 1b) its average value; 2) KMS boundary conditions for this average. It is shown that the fermion, boson and spin systems can be unified in the many-body formulation (bosonification of the fermion systems). It is impossible in the one-body approach. Both of the many-body versions of the Wick theorem have the recurrent feature: nth order moment diagrams for the free energy or Green functions can be expressed by the (n-1)th order ones. This property corresponds to the automatic realization of: (i) summations over Bose-Einstein or (and) Fermi-Dirac frequencies; (ii) elimination of Bose-Einstein or (and) Fermi-Dirac distributions. The procedures (i) and (ii), being the results of using the Green function one-body reduction theorem, have constituted the significant difficulty up to now in the treatment of quantum systems. (orig.)

Generic finite size scaling for discontinuous nonequilibrium phase transitions into absorbing states

Science.gov (United States)

de Oliveira, M. M.; da Luz, M. G. E.; Fiore, C. E.

2015-12-01

Based on quasistationary distribution ideas, a general finite size scaling theory is proposed for discontinuous nonequilibrium phase transitions into absorbing states. Analogously to the equilibrium case, we show that quantities such as response functions, cumulants, and equal area probability distributions all scale with the volume, thus allowing proper estimates for the thermodynamic limit. To illustrate these results, five very distinct lattice models displaying nonequilibrium transitions—to single and infinitely many absorbing states—are investigated. The innate difficulties in analyzing absorbing phase transitions are circumvented through quasistationary simulation methods. Our findings (allied to numerical studies in the literature) strongly point to a unifying discontinuous phase transition scaling behavior for equilibrium and this important class of nonequilibrium systems.

The P(phi)2 Green's functions; asymptotic perturbation expansion

International Nuclear Information System (INIS)

Dimock, J.

1976-01-01

The real time Green's functions in the P(phi) 2 quantum field theory are infinitely differentiable functions of the coupling constant lambda up to and including lamba=0. It follows that the perturbation series are asymptotic as lambda→0 + . (Auth.)

Coulomb Green's function and image potential near a cylindrical diffuse interface

Science.gov (United States)

Xue, Changfeng; Huang, Qiongwei; Deng, Shaozhong

2015-12-01

In a preceding paper [Comput. Phys. Commun. 184 (1): 51-59, 2013], we revisited the problem of calculating Coulomb Green's function and image potential near a planar diffuse interface within which the dielectric permittivity of the inhomogeneous medium changes continuously along one Cartesian direction in a transition layer between two dissimilar dielectric materials. In the present paper, we consider a cylindrical diffuse interface within which the dielectric permittivity changes continuously along the radial direction instead. First we propose a specific cylindrical diffuse interface model, termed the quasi-harmonic diffuse interface model, that can admit analytical solution for the Green's function in terms of the modified Bessel functions. Then and more importantly we develop a robust numerical method for building Green's functions for any cylindrical diffuse interface models. The main idea of the numerical method is, after dividing a diffuse interface into multiple sublayers, to approximate the dielectric permittivity profile in each one of the sublayers by one of the quasi-harmonic functional form rather than simply by a constant value as one would normally do. Next we describe how to efficiently compute well-behaved ratios, products, and logarithmic derivatives of the modified Bessel functions so as to avoid direct evaluations of individual modified Bessel functions in our formulations. Finally we conduct numerical experiments to show the effectiveness of the quasi-harmonic diffuse interface model in overcoming the divergence of the image potential, to validate the numerical method in terms of its accuracy and convergence, and to demonstrate its capability for computing Green's functions for any cylindrical diffuse interface models.

Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

Science.gov (United States)

Khantuleva, Tatiana A; Shalymov, Dmitry S

2017-03-06

The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

Aerospace Applications of Non-Equilibrium Plasma

Science.gov (United States)

Blankson, Isaiah M.

2016-01-01

Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

Nonequilibrium statistical physics

CERN Document Server

Röpke, Gerd

2013-01-01

Authored by one of the top theoretical physicists in Germany, and a well-known authority in the field, this is the only coherent presentation of the subject suitable for masters and PhD students, as well as postdocs in physics and related disciplines.Starting from a general discussion of the nonequilibrium state, different standard approaches such as master equations, and kinetic and linear response theory, are derived after special assumptions. This allows for an insight into the problems of nonequilibrium physics, a discussion of the limits, and suggestions for improvements. Applications

Scalar Green's functions in an Euclidean space with a conical-type line singularity

International Nuclear Information System (INIS)

Guimaraes, M.E.X.; Linet, B.

1994-01-01

In an Euclidean space with a conical-type line singularity, we determine the Green's function for a charged massive scalar field interacting with a magnetic flux running through the line singularity. We give an integral expression of the Green's function and a local form in the neighbourhood of the point source, where it is the sum of the usual Green's function in Euclidean space and a regular term. As an application, we derive the vacuum energy-momentum tensor in the massless case for an arbitrary magnetic flux. (orig.)

Green's function approach to calculate spin injection in quantum dot

International Nuclear Information System (INIS)

Tan, S.G.; Jalil, M.B.A.; Liew, Thomas; Teo, K.L.

2006-01-01

We present a theoretical model to study spin injection (η) through a quantum dot system sandwiched by two ferromagnetic contacts. The effect of contact magnetization on η was studied using Green's function descriptions of the density of states. Green's function models have the advantages that coherent effects of temperature, electron occupation in the QD, and lead perturbation on the state wave function and hence the current can be formally included in the calculations. In addition, self-consistent treatment of current with applied electrochemical potential or lead conductivity, a necessary step which has not been considered in previous works, has also been implemented in our model

Calculation of the Green functions by the coupling constant dispersion relations

International Nuclear Information System (INIS)

Bogomalny, E.B.

1977-01-01

The discontinuities of the Green functions on the cut in the complex plane of the coupling constant are calculated by the steepest descent method. The saddle points are given by the solutions of the classical field equations at those values of the coupling constant for which the classical theory has no ground state. The Green functions at the physical values of the coupling constant are determined by dispersion relations. (Auth.)

Non-equilibrium versus equilibrium emission of complex fragments from hot nuclei

International Nuclear Information System (INIS)

Viola, V.E.; Kwiatkowski, K.; Yennello, S.; Fields, D.E.

1989-01-01

The relative contributions of equilibrium and non-equilibrium mechanisms for intermediate-mass fragment emission have been deduced for Z=3-14 fragments formed in 3 He- and 14 N-induced reactions on Ag and Au targets. Complete inclusive excitation function measurements have been performed for 3 He projectiles from E/A=67 to 1,200 MeV and for 14 N from E/A=20 to 50 MeV. The data are consistent with a picture in which equilibrated emission is important at the lowest energies, but with increasing bombarding energy the cross sections are increasingly dominated by non-equilibrium processes. Non-equilibrium emission is also shown to be favored for light fragments relative to heavy fragments. These results are supported by coincidence studies of intermediate-mass fragments tagged by linear momentum transfer measurements

Fermionic green function and functional determinant in QCD2

International Nuclear Information System (INIS)

Nielsen, N.K.; Rothe, K.D.; Schroer, B.

1979-01-01

We obtain a closed representation for the QCD 2 fermion determinant, euclidean Green functions and induced current in generic external fields. In the absence of zero modes the results are representable as sums over tree diagrams which as we show, can also be obtained from the original Feynman perturbation series via resummation and integration over loop variables. We also investigate the modifications due to the presence of zero modes. (orig.)

A Lagrangian formalism for nonequilibrium ensembles

International Nuclear Information System (INIS)

Sobouti, Y.

1989-08-01

It is suggested to formulate a nonequilibrium ensemble theory by maximizing a time-integrated entropy constrained by Liouville's equation. This leads to distribution functions of the form f = Z -1 exp(-g/kT), where g(p,q,t) is a solution of Liouville's equation. A further requirement that the entropy should be an additivie functional of the integrals of Liouville's equation, limits the choice of g to linear superpositions of the nonlinearly independent integrals of motion. Time-dependent and time-independent integrals may participate in this superposition. (author). 14 refs

Ward identity for non-equilibrium Fermi systems

Czech Academy of Sciences Publication Activity Database

Velický, B.; Kalvová, Anděla; Špička, Václav

2008-01-01

Roč. 77, č. 4 (2008), 041201/1-041201/4 ISSN 1098-0121 R&D Projects: GA ČR GC202/07/J051 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : non-equilibrium * Green’s functions * quantum transport equations * Ward identity Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

Rheology via nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Hoover, W.G.

1982-10-01

The equilibrium molecular dynamics formulated by Newton, Lagrange, and Hamilton has been modified in order to simulate rheologial molecular flows with fast computers. This modified Nonequilibrium Molecular Dynamics (NEMD) has been applied to fluid and solid deformations, under both homogeneous and shock conditions, as well as to the transport of heat. The irreversible heating associated with dissipation could be controlled by carrying out isothermal NEMD calculations. The new isothermal NEMD equations of motion are consistent with Gauss' 1829 Least-Constraint principle as well as certain microscopic equilibrium and nonequilibrium statistical formulations due to Gibbs and Boltzmann. Application of isothermal NEMD revealed high-frequency and high-strain-rate behavior for simple fluids which resembled the behavior of polymer solutions and melts at lower frequencies and strain rates. For solids NEMD produces plastic flows consistent with experimental observations at much lower strain rates. The new nonequilibrium methods also suggest novel formulations of thermodynamics in nonequilibrium systems and shed light on the failure of the Principle of Material Frame Indifference

Green's function in the color field of a large nucleus

International Nuclear Information System (INIS)

McLerran, L.; Venugopalan, R.

1994-01-01

We compute the Green's function for scalars, fermions, and vectors in the color field associated with the infinite momentum frame wave function of a large nucleus. Expectation values of this wave function can be computed by integrating over random orientations of the valence quark charge density. This relates the Green's functions to correlation functions of a two-dimensional, ultraviolet finite, field theory. We show how one can compute the sea quark distribution functions and explicitly compute them in the kinematic range of transverse momenta, α s 2 μ 2 much-lt k t 2 much-lt μ 2 , where μ 2 is the average color charge squared per unit area. When m quark 2 much-lt μ 2 ∼A 1/3 , the sea quark contribution to the infinite momentum frame wave function saturates at a value that is the same as that for massless sea quarks

Proof of the relativistic covariance of the fermion Green function in QED

International Nuclear Information System (INIS)

Nguyen Suan Han.

1995-02-01

This paper is devoted to the calculation of the fermion Green function in QED in the framework of the Minimal Quantization Method, based on an explicit solution of the constraint equations and the gauge-invariance principle. The relativistic invariant expression for the fermion Green function which has the right analytical properties is obtained. (author). 24 refs

Green's functions through so(2,1) lie algebra in nonrelativistic quantum mechanics

International Nuclear Information System (INIS)

Boschi-Filho, H.; Vaidya, A.N.

1991-01-01

The authors discuss an algebraic technique to construct the Green's function for systems described by the noncompact so(2,1) Lie algebra. They show that this technique solves the one-dimensional linear oscillator and Coulomb potentials and also generates particular solutions for other one-dimensional potentials. Then they construct explicitly the Green's function for the three-dimensional oscillator and the three-dimensional Coulomb potential, which are generalizations of the one-dimensional cases, and the Coulomb plus an Aharanov-Bohm, potential. They discuss the dynamical algebra involved in each case and also find their wave functions and bound state spectra. Finally they introduce in each case and also find their wave functions and bound state spectra. Finally they introduce a point canonical transformation in the generators of so(2,10) Lie algebra, show that this procedure permits us to solve the one-dimensional Morse potential in addition to the previous cases, and construct its Green's function and find its energy spectrum and wave functions

On Equivalence of Nonequilibrium Thermodynamic and Statistical Entropies

Directory of Open Access Journals (Sweden)

Purushottam D. Gujrati

2015-02-01

Full Text Available We review the concept of nonequilibrium thermodynamic entropy and observables and internal variables as state variables, introduced recently by us, and provide a simple first principle derivation of additive statistical entropy, applicable to all nonequilibrium states by treating thermodynamics as an experimental science. We establish their numerical equivalence in several cases, which includes the most important case when the thermodynamic entropy is a state function. We discuss various interesting aspects of the two entropies and show that the number of microstates in the Boltzmann entropy includes all possible microstates of non-zero probabilities even if the system is trapped in a disjoint component of the microstate space. We show that negative thermodynamic entropy can appear from nonnegative statistical entropy.

Multiquark masses and wave functions through modified Green's function Monte Carlo method

International Nuclear Information System (INIS)

Kerbikov, B.O.; Polikarpov, M.I.; Shevchenko, L.V.

1987-01-01

The Modified Green's function Monte Carlo method (MGFMC) is used to calculate the masses and ground-state wave functions of multiquark systems in the potential model. The previously developed MGFMC is generalized in order to treat systems containing quarks with inequal masses. The obtained results are presented with the Cornell potential for the masses and the wave functions of light and heavy flavoured baryons and multiquark states (N=6, 9, 12) made of light quarks

Non-equilibrium supramolecular polymerization.

Science.gov (United States)

Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

2017-09-18

Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

How to use retarded Green's functions in de Sitter spacetime

International Nuclear Information System (INIS)

Higuchi, Atsushi; Cheong, Lee Yen

2008-01-01

We demonstrate in examples that the covariant retarded Green's functions in electromagnetism and linearized gravity work as expected in de Sitter spacetime. We first clarify how retarded Green's functions should be used in spacetimes with spacelike past infinity such as de Sitter spacetime. In particular, we remind the reader of a general formula which gives the field for given initial data on a Cauchy surface and a given source (a charge or stress-energy tensor distribution) in its future. We then apply this formula to three examples: (i) electromagnetism in the future of a Cauchy surface in Minkowski spacetime, (ii) electromagnetism in de Sitter spacetime, and (iii) linearized gravity in de Sitter spacetime. In each example the field is reproduced correctly as predicted by the general argument. In the third example we construct a linearized gravitational field from two equal point masses located at the 'North and South Poles' which is nonsingular on the cosmological horizon and satisfies a covariant gauge condition and show that this field is reproduced by the retarded Green's function with corresponding gauge parameters.

Thermal properties of Green's functions in Rindler, de Sitter, and Schwarzschild spaces

International Nuclear Information System (INIS)

Dowker, J.S.

1978-01-01

The conventional massless scalar Green's functions in the Minkowski, de Sitter, and two-dimensional Schwarzschild spaces are reinterpreted as finite-temperature Green's functions and the corresponding averages of the stress-energy operator are calculated. The renormalization adopted consists of subtracting the zero-temperature quantities. In all cases the averages give the stress tensor of a purely Planck-type perfect gas

Nonequilibrium Statistical Operator Method and Generalized Kinetic Equations

Science.gov (United States)

Kuzemsky, A. L.

2018-01-01

We consider some principal problems of nonequilibrium statistical thermodynamics in the framework of the Zubarev nonequilibrium statistical operator approach. We present a brief comparative analysis of some approaches to describing irreversible processes based on the concept of nonequilibrium Gibbs ensembles and their applicability to describing nonequilibrium processes. We discuss the derivation of generalized kinetic equations for a system in a heat bath. We obtain and analyze a damped Schrödinger-type equation for a dynamical system in a heat bath. We study the dynamical behavior of a particle in a medium taking the dissipation effects into account. We consider the scattering problem for neutrons in a nonequilibrium medium and derive a generalized Van Hove formula. We show that the nonequilibrium statistical operator method is an effective, convenient tool for describing irreversible processes in condensed matter.

Asymptotic Green's function in homogeneous anisotropic viscoelastic media

Czech Academy of Sciences Publication Activity Database

Vavryčuk, Václav

2007-01-01

Roč. 463, č. 2086 (2007), s. 2689-2707 ISSN 1364-5021 Institutional research plan: CEZ:AV0Z30120515 Keywords : anisotropy * attenuation * Green's function * viscoelasticity Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 1.523, year: 2007

Leading effect of visual plant characteristics for functional uses of green spaces

Directory of Open Access Journals (Sweden)

Beyza Şat Güngör

2016-07-01

Full Text Available Plant materials have the ability to lead the people’s functional use purposes with their visual characteristics. In this study, we examined whether the functional use follows the plant materials’ visual characteristics like a big size tree’s shade use. As visual characteristics of the plants; size, texture, color, and planting design basics are considered. Six urban green spaces determined for this experimental field study in the center of Kırklareli Province, and then a site survey implemented to determine apparent visual characteristics of the plants and matched functional uses with their visual characteristics. Five functional use types determined according to the visual plant characteristics (sitting and resting, pedestrian transition, meeting point, walking and recreational uses. Best representing four photos of each green space’s plant materials are used in photo questionnaires. 89 photo questionnaires were conducted. Five functional use type options indicated in the questionnaire for each green space and one of the options were coinciding with the visual plant characteristics of that green space according to the site survey results. For the analyses of questionnaires; SPSS 17 statistical packages were used. As result; the hypothesis was confirmed by coinciding statistical analyses results with the site survey results.

Green`s function of Maxwell`s equations and corresponding implications for iterative methods

Energy Technology Data Exchange (ETDEWEB)

Singer, B.S. [Macquarie Univ., Sydney (Australia); Fainberg, E.B. [Inst. of Physics of the Earth, Moscow (Russian Federation)

1996-12-31

Energy conservation law imposes constraints on the norm and direction of the Hilbert space vector representing a solution of Maxwell`s equations. In this paper, we derive these constrains and discuss the corresponding implications for the Green`s function of Maxwell`s equations in a dissipative medium. It is shown that Maxwell`s equations can be reduced to an integral equation with a contracting kernel. The equation can be solved using simple iterations. Software based on this algorithm have successfully been applied to a wide range of problems dealing with high contrast models. The matrix corresponding to the integral equation has a well defined spectrum. The equation can be symmetrized and solved using different approaches, for instance one of the conjugate gradient methods.

Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.

Science.gov (United States)

Bose, Amartya; Makri, Nancy

2017-10-21

The flux formulation of reaction rate theory is recast in terms of the expectation value of the reactive flux with an initial condition that corresponds to a non-equilibrium, factorized reactant density. In the common case of slow reactive processes, the non-equilibrium expression reaches the plateau regime only slightly slower than the equilibrium flux form. When the reactants are described by a single quantum state, as in the case of electron transfer reactions, the factorized reactant density describes the true initial condition of the reactive process. In such cases, the time integral of the non-equilibrium flux expression yields the reactant population as a function of time, allowing characterization of the dynamics in cases where there is no clear separation of time scales and thus a plateau regime cannot be identified. The non-equilibrium flux offers a unified approach to the kinetics of slow and fast chemical reactions and is ideally suited to mixed quantum-classical methods.

Water hammer prediction and control: the Green's function method

Science.gov (United States)

Xuan, Li-Jun; Mao, Feng; Wu, Jie-Zhi

2012-04-01

By Green's function method we show that the water hammer (WH) can be analytically predicted for both laminar and turbulent flows (for the latter, with an eddy viscosity depending solely on the space coordinates), and thus its hazardous effect can be rationally controlled and minimized. To this end, we generalize a laminar water hammer equation of Wang et al. (J. Hydrodynamics, B2, 51, 1995) to include arbitrary initial condition and variable viscosity, and obtain its solution by Green's function method. The predicted characteristic WH behaviors by the solutions are in excellent agreement with both direct numerical simulation of the original governing equations and, by adjusting the eddy viscosity coefficient, experimentally measured turbulent flow data. Optimal WH control principle is thereby constructed and demonstrated.

Exact fluctuations of nonequilibrium steady states from approximate auxiliary dynamics

OpenAIRE

Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T.

2017-01-01

We describe a framework to significantly reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. We do this by incorporating an auxiliary dynamics into trajectory based Monte Carlo calculations, through a transformation of the system's propagator using an approximate guiding function. This procedure importance samples the trajectories that most contribute to the large deviation function, mitigating the exponenti...

Nonequilibrium electron transport through quantum dots in the Kondo regime

DEFF Research Database (Denmark)

Wölfle, Peter; Paaske, Jens; Rosch, Achim

2005-01-01

Electron transport at large bias voltage through quantum dots in the Kondo regime is described within the perturbative renormalization group extended to nonequilibrium. The conductance, local magnetization, dynamical spin susceptibility and local spectral function are calculated. We show how...

Examining real-time time-dependent density functional theory nonequilibrium simulations for the calculation of electronic stopping power

Science.gov (United States)

Yost, Dillon C.; Yao, Yi; Kanai, Yosuke

2017-09-01

In ion irradiation processes, electronic stopping power describes the energy transfer rate from the irradiating ion to the target material's electrons. Due to the scarcity and significant uncertainties in experimental electronic stopping power data for materials beyond simple solids, there has been growing interest in the use of first-principles theory for calculating electronic stopping power. In recent years, advances in high-performance computing have opened the door to fully first-principles nonequilibrium simulations based on real-time time-dependent density functional theory (RT-TDDFT). While it has been demonstrated that the RT-TDDFT approach is capable of predicting electronic stopping power for a wide range of condensed matter systems, there has yet to be an exhaustive examination of the physical and numerical approximations involved and their effects on the calculated stopping power. We discuss the results of such a study for crystalline silicon with protons as irradiating ions. We examine the influences of key approximations in RT-TDDFT nonequilibrium simulations on the calculated electronic stopping power, including approximations related to basis sets, finite size effects, exchange-correlation approximation, pseudopotentials, and more. Finally, we propose a simple and efficient correction scheme to account for the contribution from core-electron excitations to the stopping power, as it was found to be significant for large proton velocities.

Patched Green's function techniques for two-dimensional systems

DEFF Research Database (Denmark)

Settnes, Mikkel; Power, Stephen; Lin, Jun

2015-01-01

We present a numerically efficient technique to evaluate the Green's function for extended two-dimensional systems without relying on periodic boundary conditions. Different regions of interest, or “patches,” are connected using self-energy terms which encode the information of the extended parts...

Non-equilibrium dog-flea model

Science.gov (United States)

Ackerson, Bruce J.

2017-11-01

We develop the open dog-flea model to serve as a check of proposed non-equilibrium theories of statistical mechanics. The model is developed in detail. Then it is applied to four recent models for non-equilibrium statistical mechanics. Comparison of the dog-flea solution with these different models allows checking claims and giving a concrete example of the theoretical models.

Time-domain Green's Function Method for three-dimensional nonlinear subsonic flows

Science.gov (United States)

Tseng, K.; Morino, L.

1978-01-01

The Green's Function Method for linearized 3D unsteady potential flow (embedded in the computer code SOUSSA P) is extended to include the time-domain analysis as well as the nonlinear term retained in the transonic small disturbance equation. The differential-delay equations in time, as obtained by applying the Green's Function Method (in a generalized sense) and the finite-element technique to the transonic equation, are solved directly in the time domain. Comparisons are made with both linearized frequency-domain calculations and existing nonlinear results.

Non-equilibrium phase transitions

CERN Document Server

Henkel, Malte; Lübeck, Sven

2009-01-01

This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.

Frequency-domain Green's functions for radar waves in heterogeneous 2.5D media

Science.gov (United States)

Ellefsen, K.J.; Croize, D.; Mazzella, A.T.; McKenna, J.R.

2009-01-01

Green's functions for radar waves propagating in heterogeneous 2.5D media might be calculated in the frequency domain using a hybrid method. The model is defined in the Cartesian coordinate system, and its electromagnetic properties might vary in the x- and z-directions, but not in the y-direction. Wave propagation in the x- and z-directions is simulated with the finite-difference method, and wave propagation in the y-direction is simulated with an analytic function. The absorbing boundaries on the finite-difference grid are perfectly matched layers that have been modified to make them compatible with the hybrid method. The accuracy of these numerical Greens functions is assessed by comparing them with independently calculated Green's functions. For a homogeneous model, the magnitude errors range from -4.16% through 0.44%, and the phase errors range from -0.06% through 4.86%. For a layered model, the magnitude errors range from -2.60% through 2.06%, and the phase errors range from -0.49% through 2.73%. These numerical Green's functions might be used for forward modeling and full waveform inversion. ?? 2009 Society of Exploration Geophysicists. All rights reserved.

Annotations to quantum statistical mechanics

CERN Document Server

Kim, In-Gee

2018-01-01

This book is a rewritten and annotated version of Leo P. Kadanoff and Gordon Baym’s lectures that were presented in the book Quantum Statistical Mechanics: Green’s Function Methods in Equilibrium and Nonequilibrium Problems. The lectures were devoted to a discussion on the use of thermodynamic Green’s functions in describing the properties of many-particle systems. The functions provided a method for discussing finite-temperature problems with no more conceptual difficulty than ground-state problems, and the method was equally applicable to boson and fermion systems and equilibrium and nonequilibrium problems. The lectures also explained nonequilibrium statistical physics in a systematic way and contained essential concepts on statistical physics in terms of Green’s functions with sufficient and rigorous details. In-Gee Kim thoroughly studied the lectures during one of his research projects but found that the unspecialized method used to present them in the form of a book reduced their readability. He st...

Sum-over-histories representation for the causal Green function of free scalar field theory

International Nuclear Information System (INIS)

Rudolph, O.

1993-10-01

A set of Green functions G α (x-y), α element of [0, 2π], for free scalar field theory is introduced, varying between the Hadamard Green function Δ 1 (x-y) triple bond 0vertical stroke {φ(x), φ(y)}vertical stroke 0> and the causal Green function G π (x-y)=iΔ(x-y) triple bond [φ(x), φ(y)]. For every α element of [0, 2π] a path-integral representation for G α is obtained both in the configuration space and in the phase space of the classical relativistic particle. Especially setting α=π a sum-over-histories representation for the causal Green function is obtained. Furthermore using BRST theory an alternative path-integral representation for G α is presented. From these path integral representations the composition laws for the G α 's are derived using a modified path decomposition expansion. (orig.)

Euclidean scalar Green function in a higher dimensional global monopole space-time

International Nuclear Information System (INIS)

Bezerra de Mello, E.R.

2002-01-01

We construct the explicit Euclidean scalar Green function associated with a massless field in a higher dimensional global monopole space-time, i.e., a (1+d)-space-time with d≥3 which presents a solid angle deficit. Our result is expressed in terms of an infinite sum of products of Legendre functions with Gegenbauer polynomials. Although this Green function cannot be expressed in a closed form, for the specific case where the solid angle deficit is very small, it is possible to develop the sum and obtain the Green function in a more workable expression. Having this expression it is possible to calculate the vacuum expectation value of some relevant operators. As an application of this formalism, we calculate the renormalized vacuum expectation value of the square of the scalar field, 2 (x)> Ren , and the energy-momentum tensor, μν (x)> Ren , for the global monopole space-time with spatial dimensions d=4 and d=5

Green function of a three-dimensional Wick problem

International Nuclear Information System (INIS)

Matveev, V.A.

1988-01-01

An exact solution of a three-dimensional Coulomb Wick-Cutkovsky problem has been obtained which possesses the hidden 0(4)-symmetry. Here we shell give the derivation of the corresponding Green function and consider its connection with the asymptoric behaviour of the scattering amplitude. 9 refs

Study on application of green's function method in thermal stress rapid calculation

International Nuclear Information System (INIS)

Zhang Guihe; Duan Yuangang; Xu Xiao; Chen Rong

2013-01-01

This paper presents a quick and accuracy thermal stress calculation method, the Green's Function Method, which is a combination of finite element method and numerical algorithm method. Thermal stress calculation of Safe Injection Nozzle of Reactor Coolant Line of PWR plant is performed with Green's function method for heatup and cooldown thermal transients as a demonstration example, and the result is compared with finite element method to verify the rationality and accuracy of this method. The advantage and disadvantage of the Green's function method and the finite element method are also compared. (authors)

Cumulant generating function formula of heat transfer in ballistic systems with lead-lead coupling and general nonlinear systems

Science.gov (United States)

Li, Huanan

2013-03-01

Based on a two-time observation protocol, we consider heat transfer in a given time interval tM in a lead-junction-lead system taking coupling between the leads into account. In view of the two-time observation, consistency conditions are carefully verified in our specific family of quantum histories. Furthermore, its implication is briefly explored. Then using the nonequilibrium Green's function method, we obtain an exact formula for the cumulant generating function for heat transfer between the two leads, valid in both transient and steady-state regimes. Also, a compact formula for the cumulant generating function in the long-time limit is derived, for which the Gallavotti-Cohen fluctuation symmetry is explicitly verified. In addition, we briefly discuss Di Ventra's repartitioning trick regarding whether the repartitioning procedure of the total Hamiltonian affects the nonequilibrium steady-state current fluctuation. All kinds of properties of nonequilibrium current fluctuations, such as the fluctuation theorem in different time regimes, could be readily given according to these exact formulas. Finally a practical formalism dealing with cumulants of heat transfer across general nonlinear quantum systems is established based on field theoretical/algebraic method.

Strong nonequilibrium coherent states in mesoscopic superconductor-semiconductor-superconductor junctions

DEFF Research Database (Denmark)

Kutchinsky, Jonatan; Wildt, Morten; Taboryski, Rafael Jozef

1999-01-01

A biased superconductor-normal metal-superconductor junction is known to be a strong nonequilibrium system, where Andreev scattering at the interfaces creates a quasiparticle distribution function far from equilibrium, a manifestation of this is the well-known subgap structure in the I...

Habitat connectivity and local conditions shape taxonomic and functional diversity of arthropods on green roofs.

Science.gov (United States)

Braaker, Sonja; Obrist, Martin Karl; Ghazoul, Jaboury; Moretti, Marco

2017-05-01

Increasing development of urban environments creates high pressure on green spaces with potential negative impacts on biodiversity and ecosystem services. There is growing evidence that green roofs - rooftops covered with vegetation - can contribute mitigate the loss of urban green spaces by providing new habitats for numerous arthropod species. Whether green roofs can contribute to enhance taxonomic and functional diversity and increase connectivity across urbanized areas remains, however, largely unknown. Furthermore, only limited information is available on how environmental conditions shape green roof arthropod communities. We investigated the community composition of arthropods (Apidae, Curculionidae, Araneae and Carabidae) on 40 green roofs and 40 green sites at ground level in the city of Zurich, Switzerland. We assessed how the site's environmental variables (such as area, height, vegetation, substrate and connectivity among sites) affect species richness and functional diversity using generalized linear models. We used an extension of co-inertia analysis (RLQ) and fourth-corner analysis to highlight the mechanism underlying community assemblages across taxonomic groups on green roof and ground communities. Species richness was higher at ground-level sites, while no difference in functional diversity was found between green roofs and ground sites. Green roof arthropod diversity increased with higher connectivity and plant species richness, irrespective of substrate depth, height and area of green roofs. The species trait analysis reviewed the mechanisms related to the environmental predictors that shape the species assemblages of the different taxa at ground and roof sites. Our study shows the important contribution of green roofs in maintaining high functional diversity of arthropod communities across different taxonomic groups, despite their lower species richness compared with ground sites. Species communities on green roofs revealed to be characterized

Elements of non-equilibrium (ℎ, k)-dynamics at zero and finite temperatures

International Nuclear Information System (INIS)

Golubeva, O.N.; Sukhanov, A.D.

2011-01-01

We suggest a method which allows developing some elements of non-equilibrium (ℎ, k)-dynamics without use of Schroedinger equation. It is based on the generalization pf Fokker-Planck and Hamilton-Jacobi equations. Sequential considering of stochastic influence of vacuum is realized in the quantum heat bath model. We show that at the presence of quantum-thermal diffusion non-equilibrium wave functions describe the process of nearing to generalized state of thermal equilibrium at zero and finite temperatures. They can be used as a ground for universal description of transport phenomena

The Euclidean scalar Green function in the five-dimensional Kaluza-Klein magnetic monopole space-time

International Nuclear Information System (INIS)

Bezerra de Mello, E.R.

2006-01-01

In this paper we present, in a integral form, the Euclidean Green function associated with a massless scalar field in the five-dimensional Kaluza-Klein magnetic monopole superposed to a global monopole, admitting a nontrivial coupling between the field with the geometry. This Green function is expressed as the sum of two contributions: the first one related with uncharged component of the field, is similar to the Green function associated with a scalar field in a four-dimensional global monopole space-time. The second contains the information of all the other components. Using this Green function it is possible to study the vacuum polarization effects on this space-time. Explicitly we calculate the renormalized vacuum expectation value * (x)Φ(x)> Ren , which by its turn is also expressed as the sum of two contributions

Nonequilibrium recombination after a curved shock wave

Science.gov (United States)

Wen, Chihyung; Hornung, Hans

2010-02-01

The effect of nonequilibrium recombination after a curved two-dimensional shock wave in a hypervelocity dissociating flow of an inviscid Lighthill-Freeman gas is considered. An analytical solution is obtained with the effective shock values derived by Hornung (1976) [5] and the assumption that the flow is ‘quasi-frozen’ after a thin dissociating layer near the shock. The solution gives the expression of dissociation fraction as a function of temperature on a streamline. A rule of thumb can then be provided to check the validity of binary scaling for experimental conditions and a tool to determine the limiting streamline that delineates the validity zone of binary scaling. The effects on the nonequilibrium chemical reaction of the large difference in free stream temperature between free-piston shock tunnel and equivalent flight conditions are discussed. Numerical examples are presented and the results are compared with solutions obtained with two-dimensional Euler equations using the code of Candler (1988) [10].

Sum-over-histories representation for the causal Green function of free scalar field theory

International Nuclear Information System (INIS)

Rudolph, O.

1995-01-01

A set of Green functions scrG α (x-y), α element-of[0,2π] for free scalar field theory is introduced, varying between the Hadamard Green function Δ 1 (x-y)==left-angle 0|{cphi(x),cphi(y)}|0 right-angle and the causal Green function scrG π (x-y)=iΔ(x-y)==[cphi(x),cphi(y)]. For every α element-of[0,2π] a path integral representation for scrG α is obtained both in configuration space and in the phase space of the classical relativistic particle. Setting α=π a sum-over-histories representation for the causal Green function is obtained. Furthermore, a reduced phase space integral representation for the scrG α 's is stated and an alternative BRST path integral representation for scrG α is presented. From these path integral representations the composition laws for the scrG α 's are derived using a modified path decomposition expansion

Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs

International Nuclear Information System (INIS)

Ghorui, S; Das, A K

2012-01-01

Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.

Brazilian Green Propolis Improves Antioxidant Function in Patients with Type 2 Diabetes Mellitus

Directory of Open Access Journals (Sweden)

Liting Zhao

2016-05-01

Full Text Available Propolis contains a variety of bioactive components and possesses many biological properties. This study was designed to evaluate potential effects of Brazilian green propolis on glucose metabolism and antioxidant function in patients with type 2 diabetes mellitus (T2DM. In the 18-week randomized controlled study, enrolled patients with T2DM were randomly assigned to Brazilian green propolis group (900 mg/day (n = 32 and control group (n = 33. At the end of the study, no significant difference was found in serum glucose, glycosylated hemoglobin, insulin, aldose reductase or adiponectin between the two groups. However, serum GSH and total polyphenols were significantly increased, and serum carbonyls and lactate dehydrogenase activity were significantly reduced in the Brazilian green propolis group. Serum TNF-α was significantly decreased, whereas serum IL-1β and IL-6 were significantly increased in the Brazilian green propolis group. It is concluded that Brazilian green propolis is effective in improving antioxidant function in T2DM patients.

Analytic and numeric Green's functions for a two-dimensional electron gas in an orthogonal magnetic field

International Nuclear Information System (INIS)

Cresti, Alessandro; Grosso, Giuseppe; Parravicini, Giuseppe Pastori

2006-01-01

We have derived closed analytic expressions for the Green's function of an electron in a two-dimensional electron gas threaded by a uniform perpendicular magnetic field, also in the presence of a uniform electric field and of a parabolic spatial confinement. A workable and powerful numerical procedure for the calculation of the Green's functions for a large infinitely extended quantum wire is considered exploiting a lattice model for the wire, the tight-binding representation for the corresponding matrix Green's function, and the Peierls phase factor in the Hamiltonian hopping matrix element to account for the magnetic field. The numerical evaluation of the Green's function has been performed by means of the decimation-renormalization method, and quite satisfactorily compared with the analytic results worked out in this paper. As an example of the versatility of the numerical and analytic tools here presented, the peculiar semilocal character of the magnetic Green's function is studied in detail because of its basic importance in determining magneto-transport properties in mesoscopic systems

Discrete state perturbation theory via Green's functions

International Nuclear Information System (INIS)

Rubinson, W.

1975-01-01

The exposition of stationary-state perturbation theory via the Green's function method in Goldberger and Watson's Collision Theory is reworked in a way that makes explicit its mathematical basis. It is stressed that the theory consists of the construction of, and manipulations on, a mathematical identity. The perturbation series fall out of the identity almost immediately. The logical status of the method is commented on

Nonequilibrium dynamics of spin-boson models from phase-space methods

Science.gov (United States)

Piñeiro Orioli, Asier; Safavi-Naini, Arghavan; Wall, Michael L.; Rey, Ana Maria

2017-09-01

An accurate description of the nonequilibrium dynamics of systems with coupled spin and bosonic degrees of freedom remains theoretically challenging, especially for large system sizes and in higher than one dimension. Phase-space methods such as the truncated Wigner approximation (TWA) have the advantage of being easily scalable and applicable to arbitrary dimensions. In this work we adapt the TWA to generic spin-boson models by making use of recently developed algorithms for discrete phase spaces [J. Schachenmayer, A. Pikovski, and A. M. Rey, Phys. Rev. X 5, 011022 (2015), 10.1103/PhysRevX.5.011022]. Furthermore we go beyond the standard TWA approximation by applying a scheme based on the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy of equations to our coupled spin-boson model. This allows us, in principle, to study how systematically adding higher-order corrections improves the convergence of the method. To test various levels of approximation we study an exactly solvable spin-boson model, which is particularly relevant for trapped-ion arrays. Using TWA and its BBGKY extension we accurately reproduce the time evolution of a number of one- and two-point correlation functions in several dimensions and for an arbitrary number of bosonic modes.

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Kowalski, K., E-mail: karol.kowalski@pnnl.gov; Bhaskaran-Nair, K.; Shelton, W. A. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352 (United States)

2014-09-07

In this paper we discuss a new formalism for producing an analytic coupled-cluster (CC) Green's function for an N-electron system by shifting the poles of similarity transformed Hamiltonians represented in N − 1 and N + 1 electron Hilbert spaces. Simple criteria are derived for the states in N − 1 and N + 1 electron spaces that are then corrected in the spectral resolution of the corresponding matrix representations of the similarity transformed Hamiltonian. The accurate description of excited state processes within a Green's function formalism would be of significant importance to a number of scientific communities ranging from physics and chemistry to engineering and the biological sciences. This is because the Green's function methodology provides a direct path for not only calculating properties whose underlying origins come from coupled many-body interactions but also provides a straightforward path for calculating electron transport, response, and correlation functions that allows for a direct link with experiment. As a special case of this general formulation, we discuss the application of this technique for Green's function defined by the CC with singles and doubles representation of the ground-state wave function.

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Kowalski, K. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA; Bhaskaran-Nair, K. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA; Shelton, W. A. [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, K8-91, P.O. Box 999, Richland, Washington 99352, USA

2014-09-07

In this paper we discuss a new formalism for producing an analytic coupled-cluster (CC) Green's function for an N-electron system by shifting the poles of similarity transformed Hamiltonians represented in N - 1 and N + 1 electron Hilbert spaces. Simple criteria are derived for the states in N - 1 and N + 1 electron spaces that are then corrected in the spectral resolution of the corresponding matrix representations of the similarity transformed Hamiltonian. The accurate description of excited state processes within a Green's function formalism would be of significant importance to a number of scientific communities ranging from physics and chemistry to engineering and the biological sciences. This is because the Green's function methodology provides a direct path for not only calculating properties whose underlying origins come from coupled many-body interactions but also provides a straightforward path for calculating electron transport, response, and correlation functions that allows for a direct link with experiment. Finally, as a special case of this general formulation, we discuss the application of this technique for Green's function defined by the CC with singles and doubles representation of the ground-state wave function.

Coupled-cluster representation of Green function employing modified spectral resolutions of similarity transformed Hamiltonians

International Nuclear Information System (INIS)

Kowalski, K.; Bhaskaran-Nair, K.; Shelton, W. A.

2014-01-01

In this paper we discuss a new formalism for producing an analytic coupled-cluster (CC) Green's function for an N-electron system by shifting the poles of similarity transformed Hamiltonians represented in N − 1 and N + 1 electron Hilbert spaces. Simple criteria are derived for the states in N − 1 and N + 1 electron spaces that are then corrected in the spectral resolution of the corresponding matrix representations of the similarity transformed Hamiltonian. The accurate description of excited state processes within a Green's function formalism would be of significant importance to a number of scientific communities ranging from physics and chemistry to engineering and the biological sciences. This is because the Green's function methodology provides a direct path for not only calculating properties whose underlying origins come from coupled many-body interactions but also provides a straightforward path for calculating electron transport, response, and correlation functions that allows for a direct link with experiment. As a special case of this general formulation, we discuss the application of this technique for Green's function defined by the CC with singles and doubles representation of the ground-state wave function

Non-equilibrium synergistic effects in atmospheric pressure plasmas.

Science.gov (United States)

Guo, Heng; Zhang, Xiao-Ning; Chen, Jian; Li, He-Ping; Ostrikov, Kostya Ken

2018-03-19

Non-equilibrium is one of the important features of an atmospheric gas discharge plasma. It involves complicated physical-chemical processes and plays a key role in various actual plasma processing. In this report, a novel complete non-equilibrium model is developed to reveal the non-equilibrium synergistic effects for the atmospheric-pressure low-temperature plasmas (AP-LTPs). It combines a thermal-chemical non-equilibrium fluid model for the quasi-neutral plasma region and a simplified sheath model for the electrode sheath region. The free-burning argon arc is selected as a model system because both the electrical-thermal-chemical equilibrium and non-equilibrium regions are involved simultaneously in this arc plasma system. The modeling results indicate for the first time that it is the strong and synergistic interactions among the mass, momentum and energy transfer processes that determine the self-consistent non-equilibrium characteristics of the AP-LTPs. An energy transfer process related to the non-uniform spatial distributions of the electron-to-heavy-particle temperature ratio has also been discovered for the first time. It has a significant influence for self-consistently predicting the transition region between the "hot" and "cold" equilibrium regions of an AP-LTP system. The modeling results would provide an instructive guidance for predicting and possibly controlling the non-equilibrium particle-energy transportation process in various AP-LTPs in future.

Classical and Quantum Models in Non-Equilibrium Statistical Mechanics: Moment Methods and Long-Time Approximations

Directory of Open Access Journals (Sweden)

Ramon F. Alvarez-Estrada

2012-02-01

Full Text Available We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb at thermal equilibrium at temperature T (either with ab initio dissipation or without it. Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s. The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation. We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i equilibrium distributions (represented through Wigner functions are neither Gaussian in momenta nor known in closed form; (ii they may depend on dissipation; and (iii the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i, (ii and (iii, to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.

Green functions and scattering amplitudes in many-dimensional space

International Nuclear Information System (INIS)

Fabre de la Ripelle, M.

1993-01-01

Methods for solving scattering are studied in many-dimensional space. Green function and scattering amplitudes are given in terms of the required asymptotic behaviour of the wave function. The Born approximation and the optical theorem are derived in many-dimensional space. Phase-shift analyses are performed for hypercentral potentials and for non-hypercentral potentials by use of the hyperspherical adiabatic approximation. (author)

Non-Equilibrium Thermodynamics of Self-Replicating Protocells

DEFF Research Database (Denmark)

Fellermann, Harold; Corominas-Murtra, Bernat; Hansen, Per Lyngs

2018-01-01

We provide a non-equilibrium thermodynamic description of the life-cycle of a droplet based, chemically feasible, system of protocells. By coupling the protocells metabolic kinetics with its thermodynamics, we demonstrate how the system can be driven out of equilibrium to ensure protocell growth...... and replication. This coupling allows us to derive the equations of evolution and to rigorously demonstrate how growth and replication life-cycle can be understood as a non-equilibrium thermodynamic cycle. The process does not appeal to genetic information or inheritance, and is based only on non......-equilibrium physics considerations. Our non-equilibrium thermodynamic description of simple, yet realistic, processes of protocell growth and replication, represents an advance in our physical understanding of a central biological phenomenon both in connection to the origin of life and for modern biology....

Link prediction based on nonequilibrium cooperation effect

Science.gov (United States)

Li, Lanxi; Zhu, Xuzhen; Tian, Hui

2018-04-01

Link prediction in complex networks has become a common focus of many researchers. But most existing methods concentrate on neighbors, and rarely consider degree heterogeneity of two endpoints. Node degree represents the importance or status of endpoints. We describe the large-degree heterogeneity as the nonequilibrium between nodes. This nonequilibrium facilitates a stable cooperation between endpoints, so that two endpoints with large-degree heterogeneity tend to connect stably. We name such a phenomenon as the nonequilibrium cooperation effect. Therefore, this paper proposes a link prediction method based on the nonequilibrium cooperation effect to improve accuracy. Theoretical analysis will be processed in advance, and at the end, experiments will be performed in 12 real-world networks to compare the mainstream methods with our indices in the network through numerical analysis.

Green's functions, states and renormalisation

International Nuclear Information System (INIS)

Brown, M.R.; Ottewill, A.C.

1982-01-01

The significance that is to be attached to different operator orderings of free quantum field theories in curved space-time is examined. It is hoped thus to elucidate the renormalization of such theories. It is argued that as in flat space, these theories should be rendered finite by normal ordering with respect to a local geometrical vacuum state. Flat space is considered first, then an analogous local, geometrical Green's function for curved space-time is defined. Examples given are the Einstein static universe, the open Einstein universe and the de Sitter universe. It is observed that normalization provides some insight into the nature of vacuum stress. (U.K.)

Use of Green's functions in the numerical solution of two-point boundary value problems

Science.gov (United States)

Gallaher, L. J.; Perlin, I. E.

1974-01-01

This study investigates the use of Green's functions in the numerical solution of the two-point boundary value problem. The first part deals with the role of the Green's function in solving both linear and nonlinear second order ordinary differential equations with boundary conditions and systems of such equations. The second part describes procedures for numerical construction of Green's functions and considers briefly the conditions for their existence. Finally, there is a description of some numerical experiments using nonlinear problems for which the known existence, uniqueness or convergence theorems do not apply. Examples here include some problems in finding rendezvous orbits of the restricted three body system.

Rapid finite-fault inversions in Southern California using Cybershake Green's functions

Science.gov (United States)

Thio, H. K.; Polet, J.

2017-12-01

We have developed a system for rapid finite fault inversion for intermediate and large Southern California earthquakes using local, regional and teleseismic seismic waveforms as well as geodetic data. For modeling the local seismic data, we use 3D Green's functions from the Cybershake project, which were made available to us courtesy of the Southern California Earthquake Center (SCEC). The use of 3D Green's functions allows us to extend the inversion to higher frequency waveform data and smaller magnitude earthquakes, in addition to achieving improved solutions in general. The ultimate aim of this work is to develop the ability to provide high quality finite fault models within a few hours after any damaging earthquake in Southern California, so that they may be used as input to various post-earthquake assessment tools such as ShakeMap, as well as by the scientific community and other interested parties. Additionally, a systematic determination of finite fault models has value as a resource for scientific studies on detailed earthquake processes, such as rupture dynamics and scaling relations. We are using an established least-squares finite fault inversion method that has been applied extensively both on large as well as smaller regional earthquakes, in conjunction with the 3D Green's functions, where available, as well as 1D Green's functions for areas for which the Cybershake library has not yet been developed. We are carrying out validation and calibration of this system using significant earthquakes that have occurred in the region over the last two decades, spanning a range of locations and magnitudes (5.4 and higher).

Characterization of nonequilibrium states of trapped Bose–Einstein condensates

Science.gov (United States)

Yukalov, V. I.; Novikov, A. N.; Bagnato, V. S.

2018-06-01

The generation of different nonequilibrium states in trapped Bose–Einstein condensates is studied by numerically solving the nonlinear Schrödinger equation. Inducing nonequilibrium states by shaking a trap creates the following states: weak nonequilibrium, the state of vortex germs, the state of vortex rings, the state of straight vortex lines, the state of deformed vortices, vortex turbulence, grain turbulence, and wave turbulence. A characterization of nonequilibrium states is advanced by introducing effective temperature, Fresnel number, and Mach number.

The Green function in the secondary model of thermalization; La funcion de GREEN en el Modelo secundario de Termalizacion

Energy Technology Data Exchange (ETDEWEB)

Guasp, J

1972-07-01

The Green Function of the thermalization problem is studied in the secondary model case through the spatial Fourier transform. A relation between singularities and eigenvalues allows the determination of the analyticity dominion. The eigenvalue spectrum has a purely discrete part, laying on an interval of the imaginary axis of the K complex plane (the Fourier parameter), and another part, purely continuous, laying in the reminder of the imaginary axis. A correspondence between discrete eigenvalues and exponential modes of the Green Function, extemal properties for the eigenvalues and some remarkable properties of the eigenfunctions are established. (Author) 32 refs.

Green's function for a neutral particle of spin 1/2 in a magnetic field

International Nuclear Information System (INIS)

Rodrigues, Rafael de Lima; Vaidya, Arvind Narayan

2001-12-01

Using the spectral theorema in context of Green's function in momentum space of neutrons in the magnetic field of a linear conductor with current the bound state energy spectrum and eigenfunctions are deduced. It's also pointed out that this problem present a new scenary of Green's function in non-relativistic quantum mechanics. (author)

A time-dependent Green's function-based model for stream ...

African Journals Online (AJOL)

DRINIE

2003-07-03

Jul 3, 2003 ... applications, this Green's function has found use primarily in linear heat transfer and flow ... based on the mathematical description of the flow with the nonlinear .... i∂/∂x + j∂/∂y is the two-dimensional gradient operator,.

convergent methods for calculating thermodynamic Green functions

OpenAIRE

Bowen, S. P.; Williams, C. D.; Mancini, J. D.

1984-01-01

A convergent method of approximating thermodynamic Green functions is outlined briefly. The method constructs a sequence of approximants which converges independently of the strength of the Hamiltonian's coupling constants. Two new concepts associated with the approximants are introduced: the resolving power of the approximation, and conditional creation (annihilation) operators. These ideas are illustrated on an exactly soluble model and a numerical example. A convergent expression for the s...

SDE decomposition and A-type stochastic interpretation in nonequilibrium processes

Science.gov (United States)

Yuan, Ruoshi; Tang, Ying; Ao, Ping

2017-12-01

An innovative theoretical framework for stochastic dynamics based on the decomposition of a stochastic differential equation (SDE) into a dissipative component, a detailed-balance-breaking component, and a dual-role potential landscape has been developed, which has fruitful applications in physics, engineering, chemistry, and biology. It introduces the A-type stochastic interpretation of the SDE beyond the traditional Ito or Stratonovich interpretation or even the α-type interpretation for multidimensional systems. The potential landscape serves as a Hamiltonian-like function in nonequilibrium processes without detailed balance, which extends this important concept from equilibrium statistical physics to the nonequilibrium region. A question on the uniqueness of the SDE decomposition was recently raised. Our review of both the mathematical and physical aspects shows that uniqueness is guaranteed. The demonstration leads to a better understanding of the robustness of the novel framework. In addition, we discuss related issues including the limitations of an approach to obtaining the potential function from a steady-state distribution.

Self-consistent green function calculations for isospin asymmetric nuclear matter

International Nuclear Information System (INIS)

Mansour, Hesham; Gad, Khalaf; Hassaneen, Khaled S.A.

2010-01-01

The one-body potentials for protons and neutrons are obtained from the self-consistent Green-function calculations of asymmetric nuclear matter, in particular their dependence on the degree of proton/neutron asymmetry. Results of the binding energy per nucleon as a function of the density and asymmetry parameter are presented for the self-consistent Green function approach using the CD-Bonn potential. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The contribution of the hole-hole terms leads to a repulsive contribution to the energy per nucleon which increases with the nuclear density. The incompressibility for asymmetric nuclear matter has been also investigated in the framework of the self-consistent Green-function approach using the CD-Bonn potential. The behavior of the incompressibility is studied for different values of the nuclear density and the neutron excess parameter. The nuclear symmetry potential at fixed nuclear density is also calculated and its value decreases with increasing the nucleon energy. In particular, the nuclear symmetry potential at saturation density changes from positive to negative values at nucleon kinetic energy of about 200 MeV. For the sake of comparison, the same calculations are performed using the Brueckner-Hartree-Fock approximation. The proton/neutron effective mass splitting in neutron-rich matter has been studied. The predicted isospin splitting of the proton/neutron effective mass splitting in neutron-rich matter is such that m n * ≥ m p * . (author)

Applications of Green's functions in science and engineering

CERN Document Server

Greenberg, Michael D

2015-01-01

Concise and highly regarded, this treatment of Green's functions and their applications in science and engineering is geared toward undergraduate and graduate students with only a moderate background in ordinary differential equations and partial differential equations. The text also includes a wealth of information of a more general nature on boundary value problems, generalized functions, eigenfunction expansions, partial differential equations, and acoustics. The two-part treatment begins with an overview of applications to ordinary differential equations. Topics include the adjoint operato

Green function and scattering amplitudes in many dimensional space

International Nuclear Information System (INIS)

Fabre de la Ripelle, M.

1991-06-01

Methods for solving scattering are studied in many dimensional space. Green function and scattering amplitudes are given in terms of the requested asymptotic behaviour of the wave function. The Born approximation and the optical theorem are derived in many dimensional space. Phase-shift analysis are developed for hypercentral potentials and for non-hypercentral potentials with the hyperspherical adiabatic approximation. (author) 16 refs., 3 figs

The effects of the Green House nursing home model on ADL function trajectory: A retrospective longitudinal study.

Science.gov (United States)

Yoon, Ju Young; Brown, Roger L; Bowers, Barbara J; Sharkey, Siobhan S; Horn, Susan D

2016-01-01

Growing attention in the past few decades has focused on improving care quality and quality of life for nursing home residents. Many traditional nursing homes have attempted to transform themselves to become more homelike emphasizing individualized care. This trend is referred to as nursing home culture change in the U.S. A promising culture change nursing home model, the Green House nursing home model, has shown positive psychological outcomes. However, little is known about whether the Green House nursing home model has positive effects on physical function compared to traditional nursing homes. To examine the longitudinal effects of the Green House nursing home model by comparing change patterns of activities of daily living function over time between Green House home residents and traditional nursing home residents. A retrospective longitudinal study. Four Green House organizations (nine Green House units and four traditional units). A total of 242 residents (93 Green House residents and 149 traditional home residents) who had stayed in the nursing home at least 6 months from admission. The outcome was activities of daily living function, and the main independent variable was the facility type in which the resident stayed: a Green House or traditional unit. Age, gender, comorbidity score, cognitive function, and depressive symptoms at baseline were controlled. All of these measures were from a minimum dataset. Growth curve modeling and growth mixture modeling were employed in this study for longitudinal analyses. The mean activities of daily living function showed deterioration over time, and the rates of deterioration between Green House and traditional home residents were not different over time. Four different activities of daily living function trajectories were identified for 18 months, but there was no statistical difference in the likelihood of being in one of the four trajectory classes between the two groups. Although Green House nursing homes are

Mechanism of H2O-Induced Conductance Changes in AuCl4-Functionalized CNTs

KAUST Repository

Murat, Altynbek

2015-04-30

We employ ab initio self-interaction corrected density functional theory combined with the nonequilibrium Green\\'s function method to study the electronic and quantum transport properties of carbon nanotubes (CNTs) functionalized with AuCl4 molecules. In particular, we investigate the electronic structure and characterize the conductance for different concentrations and configurations of randomly distributed AuCl4 molecules with and without the adsorption of H2O. We thus propose a mechanism that explains the origin of the recently observed resistivity changes of AuCl4-functionalized CNTs upon H2O adsorption. We find that water adsorption shifts the highest occupied Cl and Au states down in energy and thereby reduces the scattering of the electrons around the Fermi energy, hence enhancing the conductivity. Our results help in the development of highly sensitive nanoscale H2O vapor sensors based on AuCl4-functionalized CNTs. © 2015 American Chemical Society.

On Green's function retrieval by iterative substitution of the coupled Marchenko equations

Science.gov (United States)

van der Neut, Joost; Vasconcelos, Ivan; Wapenaar, Kees

2015-11-01

Iterative substitution of the coupled Marchenko equations is a novel methodology to retrieve the Green's functions from a source or receiver array at an acquisition surface to an arbitrary location in an acoustic medium. The methodology requires as input the single-sided reflection response at the acquisition surface and an initial focusing function, being the time-reversed direct wavefield from the acquisition surface to a specified location in the subsurface. We express the iterative scheme that is applied by this methodology explicitly as the successive actions of various linear operators, acting on an initial focusing function. These operators involve multidimensional crosscorrelations with the reflection data and truncations in time. We offer physical interpretations of the multidimensional crosscorrelations by subtracting traveltimes along common ray paths at the stationary points of the underlying integrals. This provides a clear understanding of how individual events are retrieved by the scheme. Our interpretation also exposes some of the scheme's limitations in terms of what can be retrieved in case of a finite recording aperture. Green's function retrieval is only successful if the relevant stationary points are sampled. As a consequence, internal multiples can only be retrieved at a subsurface location with a particular ray parameter if this location is illuminated by the direct wavefield with this specific ray parameter. Several assumptions are required to solve the Marchenko equations. We show that these assumptions are not always satisfied in arbitrary heterogeneous media, which can result in incomplete Green's function retrieval and the emergence of artefacts. Despite these limitations, accurate Green's functions can often be retrieved by the iterative scheme, which is highly relevant for seismic imaging and inversion of internal multiple reflections.

A single-sided representation for the homogeneous Green's function of a unified scalar wave equation.

Science.gov (United States)

Wapenaar, Kees

2017-06-01

A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.

Summable chains of instantons: Green's functions and the Prasad-Sommerfield limit

International Nuclear Information System (INIS)

Boutaleb-Joutei, H.; Chakrabarti, A.; Comtet, A.

1981-01-01

We construct, for each homotopy class, a type of instanton configuration which exhibits many special, simple properties. The basic reason behind such properties is indicated by deriving our configuration in the 't Hooft gauge, starting from a class of particularly simple, static, and self-dual solutions in de Sitter space. Apart from this we consider, in this paper, mostly results for flat Euclidean space. We show that the static solutions are equivalent to multiply charged instantons at the origin in Witten's sense. Green's functions for this class of instanton background are studied. The known flat-space results of Brown et al. are shown to be reducible, for our case, to totally explicit and relatively compact forms. The sums over different indices arising in their formalism are performed. The inversion of a matrix, necessary for the isospin-1 massless scalar field, is carried out explicitly, for our configuration, for arbitrary index of the background instanton field. Green's functions for the Prasad-Sommerfield case are obtained as limits of our results directly in summed-up forms. Green's functions are studied also in de Sitter space. Special features due to periodic time are pointed out

Enforcing conservation laws in nonequilibrium cluster perturbation theory

Science.gov (United States)

Gramsch, Christian; Potthoff, Michael

2017-05-01

Using the recently introduced time-local formulation of the nonequilibrium cluster perturbation theory (CPT), we construct a generalization of the approach such that macroscopic conservation laws are respected. This is achieved by exploiting the freedom for the choice of the starting point of the all-order perturbation theory in the intercluster hopping. The proposed conserving CPT is a self-consistent propagation scheme which respects the conservation of energy, particle number, and spin, which treats short-range correlations exactly up to the linear scale of the cluster, and which represents a mean-field-like approach on length scales beyond the cluster size. Using Green's functions, conservation laws are formulated as local constraints on the local spin-dependent particle and the doublon density. We consider them as conditional equations to self-consistently fix the time-dependent intracluster one-particle parameters. Thanks to the intrinsic causality of the CPT, this can be set up as a step-by-step time propagation scheme with a computational effort scaling linearly with the maximum propagation time and exponentially in the cluster size. As a proof of concept, we consider the dynamics of the two-dimensional, particle-hole-symmetric Hubbard model following a weak interaction quench by simply employing two-site clusters only. Conservation laws are satisfied by construction. We demonstrate that enforcing them has strong impact on the dynamics. While the doublon density is strongly oscillating within plain CPT, a monotonic relaxation is observed within the conserving CPT.

Relativistic Green function for atomic and molecular systems

Energy Technology Data Exchange (ETDEWEB)

Gruzdev, P.F.; Sherstyuk, A.I.

1981-12-01

The problem on Green function construction of Dirac equation is solved for a wide class of single electron potentials in the atom and molecule theory. The solution is obtained in the form of a spectrum analysis according to the total system of eigenfuctions of the generalized Dirac problem for eigenvalues. The problem possesses a purely discrete spectrum.

Measures of trajectory ensemble disparity in nonequilibrium statistical dynamics

International Nuclear Information System (INIS)

Crooks, Gavin E; Sivak, David A

2011-01-01

Many interesting divergence measures between conjugate ensembles of nonequilibrium trajectories can be experimentally determined from the work distribution of the process. Herein, we review the statistical and physical significance of several of these measures, in particular the relative entropy (dissipation), Jeffreys divergence (hysteresis), Jensen–Shannon divergence (time-asymmetry), Chernoff divergence (work cumulant generating function), and Rényi divergence

Foundations of atmospheric pressure non-equilibrium plasmas

Science.gov (United States)

Bruggeman, Peter J.; Iza, Felipe; Brandenburg, Ronny

2017-12-01

Non-equilibrium plasmas have been intensively studied over the past century in the context of material processing, environmental remediation, ozone generation, excimer lamps and plasma display panels. Research on atmospheric pressure non-equilibrium plasmas intensified over the last two decades leading to a large variety of plasma sources that have been developed for an extended application range including chemical conversion, medicine, chemical analysis and disinfection. The fundamental understanding of these discharges is emerging but there remain a lot of unexplained phenomena in these intrinsically complex plasmas. The properties of non-equilibrium plasmas at atmospheric pressure span over a huge range of electron densities as well as heavy particle and electron temperatures. This paper provides an overview of the key underlying processes that are important for the generation and stabilization of atmospheric pressure non-equilibrium plasmas. The unique physical and chemical properties of theses discharges are also summarized.

Green's functions of the induction equation on regions with boundary. 1

International Nuclear Information System (INIS)

Braeuer, H.J.; Raedler, K.H.

1986-01-01

The evolution of a magnetic field is considered which pervades an electrically conducting fluid and its non-conducting surroundings under the influence of electromotive forces due to internal motion and other causes. The governing equations - among which the induction equation of magnetohydrodynamics is the most prominent - pose an initial value problem for the magnetic flux density. Properties of this initial value problem and of the solving Green's function are reviewed and a general construction principle for the Green's function is given. Detailed treatment of cases where the fluid occupies a sphere or an evenly bounded half-space are presented in two subsequent papers. (author)

Monte Carlo estimates of interfacial tension in the two-dimensional Ising model from non-equilibrium methods

International Nuclear Information System (INIS)

Híjar, Humberto; Sutmann, Godehard

2008-01-01

Non-equilibrium methods for estimating free energy differences are used in order to calculate the interfacial tension between domains with opposite magnetizations in two-dimensional Ising lattices. Non-equilibrium processes are driven by changing the boundary conditions for two opposite sides of the lattice from periodic to antiperiodic and vice versa. This mechanism, which promotes the appearance and disappearance of the interface, is studied by means of Monte Carlo simulations performed at different rates and using different algorithms, thus allowing for testing the applicability of non-equilibrium methods for processes driven far from or close to equilibrium. Interfaces in lattices with different widths and heights are studied and the interface tension as a function of these quantities is obtained. It is found that the estimates of the interfacial tension from non-equilibrium procedures are in good agreement with previous reports as well as with exact results. The efficiency of the different procedures used is analyzed and the dynamics of the interface under these perturbations is briefly discussed. A method for determining the efficiency of non-equilibrium methods as regards thermodynamic perturbation is also presented. It is found that for all cases studied, the Crooks non-equilibrium method for estimating free energy differences is the most efficient one

Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

Science.gov (United States)

Yang, Cheng; Wan, Biao; Xu, Shun; Wang, Yanting; Zhou, Xin

2016-03-01

Based on equilibrium molecular simulations, it is usually difficult to efficiently visit the whole conformational space of complex systems, which are separated into some metastable regions by high free energy barriers. Nonequilibrium simulations could enhance transitions among these metastable regions and then be applied to sample equilibrium distributions in complex systems, since the associated nonequilibrium effects can be removed by employing the Jarzynski equality (JE). Here we present such a systematical method, named reweighted nonequilibrium ensemble dynamics (RNED), to efficiently sample equilibrium conformations. The RNED is a combination of the JE and our previous reweighted ensemble dynamics (RED) method. The original JE reproduces equilibrium from lots of nonequilibrium trajectories but requires that the initial distribution of these trajectories is equilibrium. The RED reweights many equilibrium trajectories from an arbitrary initial distribution to get the equilibrium distribution, whereas the RNED has both advantages of the two methods, reproducing equilibrium from lots of nonequilibrium simulation trajectories with an arbitrary initial conformational distribution. We illustrated the application of the RNED in a toy model and in a Lennard-Jones fluid to detect its liquid-solid phase coexistence. The results indicate that the RNED sufficiently extends the application of both the original JE and the RED in equilibrium sampling of complex systems.

Electromagnetically induced nuclear beta decay calculated by a Green's function method

International Nuclear Information System (INIS)

Reiss, H.R.

1984-01-01

The transition probability for enhancement of forbidden nuclear beta decay by an applied plane-wave electromagnetic field is calculated in a nonrelativistic spinless approximation by a Green's function method. The calculation involves a stationary-phase approximation. The stationary phase points in the presence of an intense field are located in very different positions than they are in the field-free case. In order-of-magnitude terms, the results are completely consistent with an earlier, much more complete wave-function calculation which includes spin and relativistic effects. Both the present Green's function calculation and the earlier wave function calculation give electromagnetic contributions in first-forbidden nuclear beta decay matrix elements which are of order (R 0 /lambda-dash-bar/sub C/) 2 with respect to allowed decays, where R 0 is the nuclear radius and lambda-dash-bar/sub C/ is the electron Compton wavelength

Relativistic dynamics, Green function and pseudodifferential operators

Energy Technology Data Exchange (ETDEWEB)

Cirilo-Lombardo, Diego Julio [National Institute of Plasma Physics (INFIP), Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires 1428 (Argentina); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation)

2016-06-15

The central role played by pseudodifferential operators in relativistic dynamics is known very well. In this work, operators like the Schrodinger one (e.g., square root) are treated from the point of view of the non-local pseudodifferential Green functions. Starting from the explicit construction of the Green (semigroup) theoretical kernel, a theorem linking the integrability conditions and their dependence on the spacetime dimensions is given. Relativistic wave equations with arbitrary spin and the causality problem are discussed with the algebraic interpretation of the radical operator and their relation with coherent and squeezed states. Also we perform by means of pure theoretical procedures (based in physical concepts and symmetry) the relativistic position operator which satisfies the conditions of integrability: it is a non-local, Lorentz invariant and does not have the same problems as the “local”position operator proposed by Newton and Wigner. Physical examples, as zitterbewegung and rogue waves, are presented and deeply analyzed in this theoretical framework.

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering

Science.gov (United States)

Vorberger, J.; Chapman, D. A.

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Quantum theory for the dynamic structure factor in correlated two-component systems in nonequilibrium: Application to x-ray scattering.

Science.gov (United States)

Vorberger, J; Chapman, D A

2018-01-01

We present a quantum theory for the dynamic structure factors in nonequilibrium, correlated, two-component systems such as plasmas or warm dense matter. The polarization function, which is needed as the input for the calculation of the structure factors, is calculated in nonequilibrium based on a perturbation expansion in the interaction strength. To make our theory applicable for x-ray scattering, a generalized Chihara decomposition for the total electron structure factor in nonequilibrium is derived. Examples are given and the influence of correlations and exchange on the structure and the x-ray-scattering spectrum are discussed for a model nonequilibrium distribution, as often encountered during laser heating of materials, as well as for two-temperature systems.

Nonequilibrium constitutive models for RELAP5/MOD2

International Nuclear Information System (INIS)

Lin, J.C.; Trapp, J.A.; Riemke, R.A.; Ransom, V.H.

1983-01-01

RELAP5/MOD2 is a new version of RELAP5 containing improved modeling features that provide a generic pressurized-water transient simulation capability. In particular, the nonequilibrium modeling capability has been generalized to include conditions that occur in operational transients including repressurization and emergency-feed-water injection with loss-of-coolant accidents. The improvements include addition of a second energy equation to the hydrodynamic model, addition of nonequilibrium heat-transfer models, and the associated nonequilibrium vapor-generation models. The objective of this paper is to describe these models and to report the developmental assessment results obtained from similar of several separate effects experiments. The assessment shows that RELAP5 calculated results are in good agreement with data and the nonequilibrium phenomena are properly modeled

Stresses in non-equilibrium fluids: Exact formulation and coarse-grained theory

Science.gov (United States)

Krüger, Matthias; Solon, Alexandre; Démery, Vincent; Rohwer, Christian M.; Dean, David S.

2018-02-01

Starting from the stochastic equation for the density operator, we formulate the exact (instantaneous) stress tensor for interacting Brownian particles and show that its average value agrees with expressions derived previously. We analyze the relation between the stress tensor and forces due to external potentials and observe that, out of equilibrium, particle currents give rise to extra forces. Next, we derive the stress tensor for a Landau-Ginzburg theory in generic, non-equilibrium situations, finding an expression analogous to that of the exact microscopic stress tensor, and discuss the computation of out-of-equilibrium (classical) Casimir forces. Subsequently, we give a general form for the stress tensor which is valid for a large variety of energy functionals and which reproduces the two mentioned cases. We then use these relations to study the spatio-temporal correlations of the stress tensor in a Brownian fluid, which we compute to leading order in the interaction potential strength. We observe that, after integration over time, the spatial correlations generally decay as power laws in space. These are expected to be of importance for driven confined systems. We also show that divergence-free parts of the stress tensor do not contribute to the Green-Kubo relation for the viscosity.

Evaluating green infrastructure in urban environments using a multi-taxa and functional diversity approach.

Science.gov (United States)

Pinho, Pedro; Correia, Otília; Lecoq, Miguel; Munzi, Silvana; Vasconcelos, Sasha; Gonçalves, Paula; Rebelo, Rui; Antunes, Cristina; Silva, Patrícia; Freitas, Catarina; Lopes, Nuno; Santos-Reis, Margarida; Branquinho, Cristina

2016-05-01

Forested areas within cities host a large number of species, responsible for many ecosystem services in urban areas. The biodiversity in these areas is influenced by human disturbances such as atmospheric pollution and urban heat island effect. To ameliorate the effects of these factors, an increase in urban green areas is often considered sufficient. However, this approach assumes that all types of green cover have the same importance for species. Our aim was to show that not all forested green areas are equal in importance for species, but that based on a multi-taxa and functional diversity approach it is possible to value green infrastructure in urban environments. After evaluating the diversity of lichens, butterflies and other-arthropods, birds and mammals in 31 Mediterranean urban forests in south-west Europe (Almada, Portugal), bird and lichen functional groups responsive to urbanization were found. A community shift (tolerant species replacing sensitive ones) along the urbanization gradient was found, and this must be considered when using these groups as indicators of the effect of urbanization. Bird and lichen functional groups were then analyzed together with the characteristics of the forests and their surroundings. Our results showed that, contrary to previous assumptions, vegetation density and more importantly the amount of urban areas around the forest (matrix), are more important for biodiversity than forest quantity alone. This indicated that not all types of forested green areas have the same importance for biodiversity. An index of forest functional diversity was then calculated for all sampled forests of the area. This could help decision-makers to improve the management of urban green infrastructures with the goal of increasing functionality and ultimately ecosystem services in urban areas. Copyright © 2016 Elsevier Inc. All rights reserved.

Green tea effects on cognition, mood and human brain function: A systematic review.

Science.gov (United States)

Mancini, Edele; Beglinger, Christoph; Drewe, Jürgen; Zanchi, Davide; Lang, Undine E; Borgwardt, Stefan

2017-10-15

Green tea (Camellia sinensis) is a beverage consumed for thousands of years. Numerous claims about the benefits of its consumption were stated and investigated. As green tea is experiencing a surge in popularity in Western culture and as millions of people all over the world drink it every day, it is relevant to understand its effects on the human brain. To assess the current state of knowledge in the literature regarding the effects of green tea or green tea extracts, l-theanine and epigallocatechin gallate both components of green tea-on general neuropsychology, on the sub-category cognition and on brain functions in humans. We systematically searched on PubMed database and selected studies by predefined eligibility criteria. We then assessed their quality and extracted data. We structured our effort according to the PRISMA statement. We reviewed and assessed 21 studies, 4 of which were randomised controlled trials, 12 cross-over studies (both assessed with an adapted version of the DELPHI-list), 4 were cross-sectional studies and one was a cohort study (both assessed with an adapted version of the Newcastle-Ottawa assessment scale). The average study quality as appraised by means of the DELPHI-list was good (8.06/9); the studies evaluated with the Newcastle-Ottawa-scale were also good (6.7/9). The reviewed studies presented evidence that green tea influences psychopathological symptoms (e.g. reduction of anxiety), cognition (e.g. benefits in memory and attention) and brain function (e.g. activation of working memory seen in functional MRI). The effects of green tea cannot be attributed to a single constituent of the beverage. This is exemplified in the finding that beneficial green tea effects on cognition are observed under the combined influence of both caffeine and l-theanine, whereas separate administration of either substance was found to have a lesser impact. Copyright © 2017. Published by Elsevier GmbH.

A review of Green's function methods in computational fluid mechanics: Background, recent developments and future directions

International Nuclear Information System (INIS)

Dorning, J.

1981-01-01

The research and development over the past eight years on local Green's function methods for the high-accuracy, high-efficiency numerical solution of nuclear engineering problems is reviewed. The basic concepts and key ideas are presented by starting with an expository review of the original fully two-dimensional local Green's function methods developed for neutron diffusion and heat conduction, and continuing through the progressively more complicated and more efficient nodal Green's function methods for neutron diffusion, heat conduction and neutron transport to establish the background for the recent development of Green's function methods in computational fluid mechanics. Some of the impressive numerical results obtained via these classes of methods for nuclear engineering problems are briefly summarized. Finally, speculations are proffered on future directions in which the development of these types of methods in fluid mechanics and other areas might lead. (orig.) [de

Small angle neutron scattering (SANS) under non-equilibrium conditions

International Nuclear Information System (INIS)

Oberthur, R.C.

1984-01-01

The use of small angle neutron scattering (SANS) for the study of systems under non-equilibrium conditions is illustrated by three types of experiments in the field of polymer research: - the relaxation of a system from an initial non-equilibrium state towards equilibrium, - the cyclic or repetitive installation of a series of non-equilibrium states in a system, - the steady non-equilibrium state maintained by a constant dissipation of energy within the system. Characteristic times obtained in these experiments with SANS are compared with the times obtained from quasi-elastic neutron and light scattering, which yield information about the equilibrium dynamics of the system. The limits of SANS applied to non-equilibrium systems for the measurement of relaxation times at different length scales are shown and compared to the limits of quasielastic neutron and light scattering

Band-limited Green's Functions for Quantitative Evaluation of Acoustic Emission Using the Finite Element Method

Science.gov (United States)

Leser, William P.; Yuan, Fuh-Gwo; Leser, William P.

2013-01-01

A method of numerically estimating dynamic Green's functions using the finite element method is proposed. These Green's functions are accurate in a limited frequency range dependent on the mesh size used to generate them. This range can often match or exceed the frequency sensitivity of the traditional acoustic emission sensors. An algorithm is also developed to characterize an acoustic emission source by obtaining information about its strength and temporal dependence. This information can then be used to reproduce the source in a finite element model for further analysis. Numerical examples are presented that demonstrate the ability of the band-limited Green's functions approach to determine the moment tensor coefficients of several reference signals to within seven percent, as well as accurately reproduce the source-time function.

Equilibrium and nonequilibrium solvation and solute electronic structure

International Nuclear Information System (INIS)

Kim, H.J.; Hynes, J.T.

1990-01-01

When a molecular solute is immersed in a polar and polarizable solvent, the electronic wave function of the solute system is altered compared to its vacuum value; the solute electronic structure is thus solvent-dependent. Further, the wave function will be altered depending upon whether the polarization of the solvent is or is not in equilibrium with the solute charge distribution. More precisely, while the solvent electronic polarization should be in equilibrium with the solute electronic wave function, the much more sluggish solvent orientational polarization need not be. We call this last situation non-equilibrium solvation. We outline a nonlinear Schroedinger equation approach to these issues

Nonequilibrium statistical physics a modern perspective

CERN Document Server

Livi, Roberto

2017-01-01

Statistical mechanics has been proven to be successful at describing physical systems at thermodynamic equilibrium. Since most natural phenomena occur in nonequilibrium conditions, the present challenge is to find suitable physical approaches for such conditions: this book provides a pedagogical pathway that explores various perspectives. The use of clear language, and explanatory figures and diagrams to describe models, simulations and experimental findings makes the book a valuable resource for undergraduate and graduate students, and also for lecturers organizing teaching at varying levels of experience in the field. Written in three parts, it covers basic and traditional concepts of nonequilibrium physics, modern aspects concerning nonequilibrium phase transitions, and application-orientated topics from a modern perspective. A broad range of topics is covered, including Langevin equations, Levy processes, directed percolation, kinetic roughening and pattern formation.

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

Science.gov (United States)

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

Improved quasi-static nodal green's function method

International Nuclear Information System (INIS)

Li Junli; Jing Xingqing; Hu Dapu

1997-01-01

Improved Quasi-Static Green's Function Method (IQS/NGFM) is presented, as an new kinetic method. To solve the three-dimensional transient problem, improved Quasi-Static Method is adopted to deal with the temporal problem, which will increase the time step as long as possible so as to decrease the number of times of space calculation. The time step of IQS/NGFM can be increased to 5∼10 times longer than that of Full Implicit Differential Method. In spatial calculation, the NGFM is used to get the distribution of shape function, and it's spatial mesh can be nearly 20 times larger than that of Definite Differential Method. So the IQS/NGFM is considered as an efficient kinetic method

Frontier of plasma physics. 'Research network on non-equilibrium and extreme state plasmas'

International Nuclear Information System (INIS)

Itoh, Sanae-I.; Fujisawa, Akihide; Kodama, Ryosuke; Sato, Motoyasu; Tanaka, Kazuo A.; Hatakeyama, Rikizo; Itoh, Kimitaka

2011-01-01

Plasma physics and fusion science have been applied to a wide variety of plasmas such as nuclear fusion plasmas, high-energy-density plasmas, processing plasmas and nanobio- plasmas. They are pioneering science and technology frontiers such as new energy sources and new functional materials. A large project 'research network on non-equilibrium and extreme state plasmas' is being proposed to reassess individual plasma researches from a common view of the non-equilibrium extreme plasma and to promote collaboration among plasma researchers all over the country. In the present review, recent collaborative works related to this project are being introduced. (T.I.)

Hyperbolic heat conduction, effective temperature, and third law for nonequilibrium systems with heat flux

Science.gov (United States)

Sobolev, S. L.

2018-02-01

Some analogies between different nonequilibrium heat conduction models, particularly random walk, the discrete variable model, and the Boltzmann transport equation with the single relaxation time approximation, have been discussed. We show that, under an assumption of a finite value of the heat carrier velocity, these models lead to the hyperbolic heat conduction equation and the modified Fourier law with relaxation term. Corresponding effective temperature and entropy have been introduced and analyzed. It has been demonstrated that the effective temperature, defined as a geometric mean of the kinetic temperatures of the heat carriers moving in opposite directions, acts as a criterion for thermalization and is a nonlinear function of the kinetic temperature and heat flux. It is shown that, under highly nonequilibrium conditions when the heat flux tends to its maximum possible value, the effective temperature, heat capacity, and local entropy go to zero even at a nonzero equilibrium temperature. This provides a possible generalization of the third law to nonequilibrium situations. Analogies and differences between the proposed effective temperature and some other definitions of a temperature in nonequilibrium state, particularly for active systems, disordered semiconductors under electric field, and adiabatic gas flow, have been shown and discussed. Illustrative examples of the behavior of the effective temperature and entropy during nonequilibrium heat conduction in a monatomic gas and a strong shockwave have been analyzed.

Negative differential conductance in two-dimensional C-functionalized boronitrene

KAUST Repository

Obodo, J T; Obodo, K O; Schwingenschlö gl, Udo

2015-01-01

It recently has been demonstrated that the large band gap of boronitrene can be significantly reduced by C functionalization. We show that specific defect configurations even can result in metallicity, raising interest in the material for electronic applications. We thus study the transport properties of C-functionalized boronitrene using the non-equilibrium Green's function formalism. We investigate various zigzag and armchair defect configurations, spanning wide band gap semiconducting to metallic states. Unusual I–V characteristics are found and explained in terms of the energy and bias-dependent transmission coefficient and wavefunction. In particular, we demonstrate negative differential conductance with high peak-to-valley ratios, depending on the details of the substitutional doping, and identify the finite bias effects that are responsible for this behavior.

From green architecture to architectural green

DEFF Research Database (Denmark)

Earon, Ofri

2011-01-01

that describes the architectural exclusivity of this particular architecture genre. The adjective green expresses architectural qualities differentiating green architecture from none-green architecture. Currently, adding trees and vegetation to the building’s facade is the main architectural characteristics...... they have overshadowed the architectural potential of green architecture. The paper questions how a green space should perform, look like and function. Two examples are chosen to demonstrate thorough integrations between green and space. The examples are public buildings categorized as pavilions. One......The paper investigates the topic of green architecture from an architectural point of view and not an energy point of view. The purpose of the paper is to establish a debate about the architectural language and spatial characteristics of green architecture. In this light, green becomes an adjective...

Connected Green function approach to symmetry breaking in Φ1+14-theory

International Nuclear Information System (INIS)

Haeuser, J.M.; Cassing, W.; Peter, A.; Thoma, M.H.

1995-01-01

Using the cluster expansions for n-point Green functions we derive a closed set of dynamical equations of motion for connected equal-time Green functions by neglecting all connected functions higher than 4 th order for the λΦ 4 -theory in 1+1 dimensions. We apply the equations to the investigation of spontaneous symmetry breaking, i.e. to the evaluation of the effective potential at temperature T=0. Within our momentum space discretization we obtain a second order phase transition (in agreement with the Simon-Griffith theorem) and a critical coupling of λ crit /4m 2 =2.446 ascompared to a first order phase transition and λ crit /4m 2 =2.568 from the Gaussian effective potential approach. (orig.)

Green's function of an infinite slot printed between two homogeneous dielectrics - Part II: Uniform asymptotic solution

NARCIS (Netherlands)

Maci, S.; Neto, A.

2004-01-01

This second part of a two-paper sequence deals with the uniform asymptotic description of the Green's function of an infinite slot printed between two different homogeneous dielectric media. Starting from the magnetic current derived in Part I, the dyadic green's function is first formulated in

Green's functions for a graphene sheet and quantum dot in a normal magnetic field

International Nuclear Information System (INIS)

Horing, Norman J Morgenstern; Liu, S Y

2009-01-01

This paper is concerned with the derivation of the retarded Green's function for a two-dimensional graphene layer in a perpendicular magnetic field in two explicit, analytic forms, which we employ in obtaining a closed-form solution for the Green's function of a tightly confined magnetized graphene quantum dot. The dot is represented by a δ (2) (r)-potential well and the system is subject to Landau quantization in the normal magnetic field

Green's functions and trace formulas for generalized Sturm-Liouville problems related by Darboux transformations

International Nuclear Information System (INIS)

Schulze-Halberg, Axel

2010-01-01

We study Green's functions of the generalized Sturm-Liouville problems that are related to each other by Darboux -equivalently, supersymmetrical - transformations. We establish an explicit relation between the corresponding Green's functions and derive a simple formula for their trace. The class of equations considered here includes the conventional Schroedinger equation and generalizations, such as for position-dependent mass and with linearly energy-dependent potential, as well as the stationary Fokker-Planck equation.

Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.

Science.gov (United States)

Vetterick, Gregory A; Gruber, Jacob; Suri, Pranav K; Baldwin, Jon K; Kirk, Marquis A; Baldo, Pete; Wang, Yong Q; Misra, Amit; Tucker, Garritt J; Taheri, Mitra L

2017-09-25

Many methods used to produce nanocrystalline (NC) materials leave behind non-equilibrium grain boundaries (GBs) containing excess free volume and higher energy than their equilibrium counterparts with identical 5 degrees of freedom. Since non-equilibrium GBs have increased amounts of both strain and free volume, these boundaries may act as more efficient sinks for the excess interstitials and vacancies produced in a material under irradiation as compared to equilibrium GBs. The relative sink strengths of equilibrium and non-equilibrium GBs were explored by comparing the behavior of annealed (equilibrium) and as-deposited (non-equilibrium) NC iron films on irradiation. These results were coupled with atomistic simulations to better reveal the underlying processes occurring on timescales too short to capture using in situ TEM. After irradiation, NC iron with non-equilibrium GBs contains both a smaller number density of defect clusters and a smaller average defect cluster size. Simulations showed that excess free volume contribute to a decreased survival rate of point defects in cascades occurring adjacent to the GB and that these boundaries undergo less dramatic changes in structure upon irradiation. These results suggest that non-equilibrium GBs act as more efficient sinks for defects and could be utilized to create more radiation tolerant materials in future.

On the infrared behaviour of Yang-Mills Greens functions

International Nuclear Information System (INIS)

Olesen, P.

1976-01-01

Making certain assumptions (valid to any finite order of perturbation theory), it is shown that non-perturbatively pure Yang-Mills Greens functions are power behaved in the momenta in a limit related to the infrared limit. It is also shown that the fundamental vertices have a more singular behaviour than indicated by perturbation theory. (Auth.)

Mehler's formulae for isotropic harmonic oscillator wave functions and application in the Green function calculus

International Nuclear Information System (INIS)

Caetano Neto, E.S.

1976-01-01

A stationary Green function is calculated for the Schroedinger Hamiltonian of the multidimensional isotropic harmonic oscillator and for physical systems, which may, somehow, have their Hamiltonian reduced to one in the form of a harmonic oscillator, for any dimension [pt

Plasma wave instabilities in nonequilibrium graphene

DEFF Research Database (Denmark)

Aryal, Chinta M.; Hu, Ben Yu-Kuang; Jauho, Antti-Pekka

2016-01-01

We study two-stream instabilities in a nonequilibrium system in which a stream of electrons is injected into doped graphene. As with equivalent nonequilibrium parabolic band systems, we find that the graphene systems can support unstable charge-density waves whose amplitudes grow with time. We...... of the injected electrons that maximizes the growth rate increases with increasing | q |. We compare the range and strength of the instability in graphene to that of two- and three-dimensional parabolic band systems....

Green Imidazolium Ionics-From Truly Sustainable Reagents to Highly Functional Ionic Liquids.

Science.gov (United States)

Tröger-Müller, Steffen; Brandt, Jessica; Antonietti, Markus; Liedel, Clemens

2017-09-04

We report the synthesis of task-specific imidazolium ionic compounds and ionic liquids with key functionalities of organic molecules from electro-, polymer-, and coordination chemistry. Such products are highly functional and potentially suitable for technology applications even though they are formed without elaborate reactions and from cheap and potentially green reagents. We further demonstrate the versatility of the used synthetic approach by introducing different functional and green counterions to the formed ionic liquids directly during the synthesis or after metathesis reactions. The influence of different cation structures and different anions on the thermal and electrochemical properties of the resulting ionic liquids is discussed. Our goal is to make progress towards economically competitive and sustainable task-specific ionic liquids. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Novel spectral features of nanoelectromechanical systems

KAUST Repository

Tahir, M.

2014-02-17

Electron transport through a quantum dot or single molecule coupled to a quantum oscillator is studied by the Keldysh nonequilibrium Green\\'s function formalism to obtain insight into the quantum dynamics of the electronic and oscillator degrees of freedom. We tune the electronic level of the quantum dot by a gate voltage, where the leads are kept at zero temperature. Due to the nonequilibrium distribution of the electrons in the quantum dot, the spectral function becomes a function of the gate voltage. Novel spectral features are identified for the ground and excited states of nanomechanical oscillators that can be used to enhance the measurement sensitivity.

Mass corrections to Green functions in instanton vacuum model

International Nuclear Information System (INIS)

Esaibegyan, S.V.; Tamaryan, S.N.

1987-01-01

The first nonvanishing mass corrections to the effective Green functions are calculated in the model of instanton-based vacuum consisting of a superposition of instanton-antiinstanton fluctuations. The meson current correlators are calculated with account of these corrections; the mass spectrum of pseudoscalar octet as well as the value of the kaon axial constant are found. 7 refs

Existence of Green's functions in perturbative Q.E.D

International Nuclear Information System (INIS)

Seneor, R.

1976-01-01

A report is made on some work done in collaboration with P. Blanchard which shows how, in the framework developped by H.Epstein and V.Glaser, one can prove the existence of Green's functions in quantum electrodynamics (Q.E.D.). The proof can be extended, in principle, to any theory involving massive and non massive particles. (Auth.)

Analytic properties for the honeycomb lattice Green function at the origin

Science.gov (United States)

Joyce, G. S.

2018-05-01

The analytic properties of the honeycomb lattice Green function are investigated, where is a complex variable which lies in a plane. This double integral defines a single-valued analytic function provided that a cut is made along the real axis from w  =  ‑3 to . In order to analyse the behaviour of along the edges of the cut it is convenient to define the limit function where . It is shown that and can be evaluated exactly for all in terms of various hypergeometric functions, where the argument function is always real-valued and rational. The second-order linear Fuchsian differential equation satisfied by is also used to derive series expansions for and which are valid in the neighbourhood of the regular singular points and . Integral representations are established for and , where with . In particular, it is proved that where J 0(z) and Y 0(z) denote Bessel functions of the first and second kind, respectively. The results derived in the paper are utilized to evaluate the associated logarithmic integral where w lies in the cut plane. A new set of orthogonal polynomials which are connected with the honeycomb lattice Green function are also briefly discussed. Finally, a link between and the theory of Pearson random walks in a plane is established.

Casimir energies in M4≥/sup N/ for even N. Green's-function and zeta-function techniques

International Nuclear Information System (INIS)

Kantowski, R.; Milton, K.A.

1987-01-01

The Green's-function technique developed in the first paper in this series is generalized to apply to massive scalar, vector, second-order tensor, and Dirac spinor fields, as a preliminary to a full graviton calculation. The Casimir energies are of the form u/sub Casimir/ = (1/a 4 )[α/sub N/lna/b)+β/sub N/], where N (even) is the dimension of the internal sphere, a is its radius, and b/sup -1/ is an ultraviolet cutoff (presumably at the Planck scale). The coefficient of the divergent logarithm, α/sub N/, is unambiguously obtained for each field considered. The Green's-function technique gives rise to no difficulties in the evaluation of imaginary-mass-mode contributions to the Casimir energy. In addition, a new, simplified zeta-function technique is presented which is very easily implemented by symbolic programs, and which, of course, gives the same results. An error in a previous zeta-function calculation of the Casimir energy for even N is pointed out

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

Improved dynamical scaling analysis using the kernel method for nonequilibrium relaxation.

Science.gov (United States)

Echinaka, Yuki; Ozeki, Yukiyasu

2016-10-01

The dynamical scaling analysis for the Kosterlitz-Thouless transition in the nonequilibrium relaxation method is improved by the use of Bayesian statistics and the kernel method. This allows data to be fitted to a scaling function without using any parametric model function, which makes the results more reliable and reproducible and enables automatic and faster parameter estimation. Applying this method, the bootstrap method is introduced and a numerical discrimination for the transition type is proposed.

Step-by-Step Simulation of Radiation Chemistry Using Green Functions for Diffusion-Influenced Reactions

Science.gov (United States)

Plante, Ianik; Cucinotta, Francis A.

2011-01-01

Radiolytic species are formed approximately 1 ps after the passage of ionizing radiation through matter. After their formation, they diffuse and chemically react with other radiolytic species and neighboring biological molecules, leading to various oxidative damage. Therefore, the simulation of radiation chemistry is of considerable importance to understand how radiolytic species damage biological molecules [1]. The step-by-step simulation of chemical reactions is difficult, because the radiolytic species are distributed non-homogeneously in the medium. Consequently, computational approaches based on Green functions for diffusion-influenced reactions should be used [2]. Recently, Green functions for more complex type of reactions have been published [3-4]. We have developed exact random variate generators of these Green functions [5], which will allow us to use them in radiation chemistry codes. Moreover, simulating chemistry using the Green functions is which is computationally very demanding, because the probabilities of reactions between each pair of particles should be evaluated at each timestep [2]. This kind of problem is well adapted for General Purpose Graphic Processing Units (GPGPU), which can handle a large number of similar calculations simultaneously. These new developments will allow us to include more complex reactions in chemistry codes, and to improve the calculation time. This code should be of importance to link radiation track structure simulations and DNA damage models.

Dynamics of mesoscopic systems: Non-equilibrium Green's functions approach

Czech Academy of Sciences Publication Activity Database

Špička, Václav; Kalvová, Anděla; Velický, B.

2010-01-01

Roč. 42, č. 3 (2010), s. 525-538 ISSN 1386-9477 R&D Projects: GA ČR GA202/08/0361 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : mesoscopic systems * NGF * initial condition * correlations * Ward identities * transients Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.304, year: 2010

Green Polymer Chemistry: Enzyme Catalysis for Polymer Functionalization

Directory of Open Access Journals (Sweden)

Sanghamitra Sen

2015-05-01

Full Text Available Enzyme catalyzed reactions are green alternative approaches to functionalize polymers compared to conventional methods. This technique is especially advantageous due to the high selectivity, high efficiency, milder reaction conditions, and recyclability of enzymes. Selected reactions can be conducted under solventless conditions without the application of metal catalysts. Hence this process is becoming more recognized in the arena of biomedical applications, as the toxicity created by solvents and metal catalyst residues can be completely avoided. In this review we will discuss fundamental aspects of chemical reactions biocatalyzed by Candida antarctica lipase B, and their application to create new functionalized polymers, including the regio- and chemoselectivity of the reactions.

Green polymer chemistry: enzyme catalysis for polymer functionalization.

Science.gov (United States)

Sen, Sanghamitra; Puskas, Judit E

2015-05-21

Enzyme catalyzed reactions are green alternative approaches to functionalize polymers compared to conventional methods. This technique is especially advantageous due to the high selectivity, high efficiency, milder reaction conditions, and recyclability of enzymes. Selected reactions can be conducted under solventless conditions without the application of metal catalysts. Hence this process is becoming more recognized in the arena of biomedical applications, as the toxicity created by solvents and metal catalyst residues can be completely avoided. In this review we will discuss fundamental aspects of chemical reactions biocatalyzed by Candida antarctica lipase B, and their application to create new functionalized polymers, including the regio- and chemoselectivity of the reactions.

Non-equilibrium thermodynamics, maximum entropy production and Earth-system evolution.

Science.gov (United States)

Kleidon, Axel

2010-01-13

The present-day atmosphere is in a unique state far from thermodynamic equilibrium. This uniqueness is for instance reflected in the high concentration of molecular oxygen and the low relative humidity in the atmosphere. Given that the concentration of atmospheric oxygen has likely increased throughout Earth-system history, we can ask whether this trend can be generalized to a trend of Earth-system evolution that is directed away from thermodynamic equilibrium, why we would expect such a trend to take place and what it would imply for Earth-system evolution as a whole. The justification for such a trend could be found in the proposed general principle of maximum entropy production (MEP), which states that non-equilibrium thermodynamic systems maintain steady states at which entropy production is maximized. Here, I justify and demonstrate this application of MEP to the Earth at the planetary scale. I first describe the non-equilibrium thermodynamic nature of Earth-system processes and distinguish processes that drive the system's state away from equilibrium from those that are directed towards equilibrium. I formulate the interactions among these processes from a thermodynamic perspective and then connect them to a holistic view of the planetary thermodynamic state of the Earth system. In conclusion, non-equilibrium thermodynamics and MEP have the potential to provide a simple and holistic theory of Earth-system functioning. This theory can be used to derive overall evolutionary trends of the Earth's past, identify the role that life plays in driving thermodynamic states far from equilibrium, identify habitability in other planetary environments and evaluate human impacts on Earth-system functioning. This journal is © 2010 The Royal Society

Non-Equilibrium Thermodynamics in Multiphase Flows

CERN Document Server

Mauri, Roberto

2013-01-01

Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...

Aspects of the generation of finite-difference Green's function sequences for arbitrary 3-D cubic lattice points

NARCIS (Netherlands)

de Hon, B.P.; Arnold, J.M.

2015-01-01

The robust and speedy evaluation of lattice Green's functions LGFs) is crucial to the effectiveness of finite-difference Green's function diakoptics schemes. We have recently determined a generic recurrence scheme for the construction of scalar LGF sequences at arbitrary points on a 3-D cubic

Construction of U-gauge Green's functions of gauge theories with spontaneous symmetry breaking and Slavnov identities

International Nuclear Information System (INIS)

Flume, R.

1978-01-01

The unitary (U) gauge Green's functions of the U(1) and SU(2) Higgs-Kibble models are constructed applying a renormalized point transformation and a non-local gauge changing transformation to a manifestly renormalizable (R gauge) version of the respective theory. It is shown that the cancellation mechanism known as 'tree graph unitarity' rendering in tree graph approximation a smooth high energy behaviour of the U gauge Green's functions on mass shell can in a natural way be extended to all orders of perturbation theory. The conditions imposed by this 'generalized tree graph unitarity' on the renormalization programme are shown to be equivalent with the requirement of renormalized Slavnov identities for the R gauge Green's functions

The function of green belt Jatibarang as quality control for the environment of Semarang city

Science.gov (United States)

Murtini, Titien Woro; Harani, Arnis Rochma; Ernadia, Loretta

2017-06-01

The quality of the healthy environment in a neighborhood city is decreasing in number. According to the government regulation, Act No. 26 of 2007, a city should have 20% of green areas from the total area of the city. Now, Semarang only has 7.5% of green areas from the total city area. One of the efforts made by the Government of Semarang is the establishment of a greenbelt in Jatibarang area. It consists of several parts, namely, the reservoirs in the green belt area and also the plant zone in other sectors. The reservoir has a function as the controller of water resources sustainability where the crops serve as the balance for the combination. Thus, it is interesting to study how the interplay of these two functions in a green belt area. The primary data used in this study was obtained from the locus of research by direct observation, interview, and physical data collection. Based on the data collection, data was then processed and analyzed in accordance with the indicators that had been compiled based on theories of reservoirs, green belts, and the quality of the urban environment. Government regulations regarding with the greenbelt and tanks were also used as references in the discussion. The research found out that the presence of the reservoir and the plants in the green belt of Jatibarang can improve the function of the green belt optimally which is a real influence for the improvement of the environment quality, especially water. The Greenbelt was divided into four zones, namely the Arboretum, Argo - Forestry, Ecotourism, Buffer - Zone also made the region became a beautiful greenbelt that brought a positive influence to environmental quality.

Green-Kubo relation for viscosity tested using experimental data for a two-dimensional dusty plasma

Science.gov (United States)

Feng, Yan; Goree, J.; Liu, Bin; Cohen, E. G. D.

2011-10-01

The theoretical Green-Kubo relation for viscosity is tested using experimentally obtained data. In a dusty plasma experiment, micron-sized dust particles are introduced into a partially ionized argon plasma, where they become negatively charged. They are electrically levitated to form a single-layer Wigner crystal, which is subsequently melted using laser heating. In the liquid phase, these dust particles experience interparticle electric repulsion, laser heating, and friction from the ambient neutral argon gas, and they can be considered to be in a nonequilibrium steady state. Direct measurements of the positions and velocities of individual dust particles are then used to obtain a time series for an off-diagonal element of the stress tensor and its time autocorrelation function. This calculation also requires the interparticle potential, which was not measured experimentally but was obtained using a Debye-Hückel-type model with experimentally determined parameters. Integrating the autocorrelation function over time yields the viscosity for shearing motion among dust particles. The viscosity so obtained is found to agree with results from a previous experiment using a hydrodynamical Navier-Stokes equation. This comparison serves as a test of the Green-Kubo relation for viscosity. Our result is also compared to the predictions of several simulations.

Canonical operator formulation of nonequilibrium thermodynamics

International Nuclear Information System (INIS)

Mehrafarin, M.

1992-09-01

A novel formulation of nonequilibrium thermodynamics is proposed which emphasises the fundamental role played by the Boltzmann constant k in fluctuations. The equivalence of this and the stochastic formulation is demonstrated. The k → 0 limit of this theory yields the classical deterministic description of nonequilibrium thermodynamics. The new formulation possesses unique features which bear two important results namely the thermodynamic uncertainty principle and the quantisation of entropy production rate. Such a theory becomes indispensable whenever fluctuations play a significant role. (author). 7 refs

Infra-red asymptotic behaviour of the one-fermion Green's function in a scalar model with isospin

International Nuclear Information System (INIS)

Popov, V.N.; Wu, T.T.

1979-01-01

In a theory where massive fermions interact with a massless scalar field of isospin 1, the behaviour of the one-fermion Green's function is found to differ from the free Green's function by a factor (1 - (2g 2 /π 2 )ln mmod(x-y))sup(-3/8), in the limit of large separation mod(x-y). (Auth.)

Non-equilibrium phase transitions in complex plasma

International Nuclear Information System (INIS)

Suetterlin, K R; Raeth, C; Ivlev, A V; Thomas, H M; Khrapak, S; Zhdanov, S; Rubin-Zuzic, M; Morfill, G E; Wysocki, A; Loewen, H; Goedheer, W J; Fortov, V E; Lipaev, A M; Molotkov, V I; Petrov, O F

2010-01-01

Complex plasma being the 'plasma state of soft matter' is especially suitable for investigations of non-equilibrium phase transitions. Non-equilibrium phase transitions can manifest in dissipative structures or self-organization. Two specific examples are lane formation and phase separation. Using the permanent microgravity laboratory PK-3 Plus, operating onboard the International Space Station, we performed unique experiments with binary mixtures of complex plasmas that showed both lane formation and phase separation. These observations have been augmented by comprehensive numerical and theoretical studies. In this paper we present an overview of our most important results. In addition we put our results in context with research of complex plasmas, binary systems and non-equilibrium phase transitions. Necessary and promising future complex plasma experiments on phase separation and lane formation are briefly discussed.

QCD Green's Functions and Phases of Strongly-Interacting Matter

Directory of Open Access Journals (Sweden)

Schaefer B.J.

2011-04-01

Full Text Available After presenting a brief summary of functional approaches to QCD at vanishing temperatures and densities the application of QCD Green's functions at non-vanishing temperature and vanishing density is discussed. It is pointed out in which way the infrared behavior of the gluon propagator reflects the (de-confinement transition. Numerical results for the quark propagator are given thereby verifying the relation between (de--confinement and dynamical chiral symmetry breaking (restoration. Last but not least some results of Dyson-Schwinger equations for the color-superconducting phase at large densities are shown.

Finite-difference Green's functions on a 3-D cubic lattice - Integer versus fixed-precision arithmetic recurrence schemes

NARCIS (Netherlands)

De Hon, B. P.; Arnold, J. M.

2016-01-01

Time-domain 3-D lattice Green's function (LGF) sequences can be evaluated using a single-lattice point recurrence scheme, and play an important role in finite-difference Green's function diakoptics. Asymptotically, at large distances, the LGFs in three dimensions can be described in terms of six

Green function iterative solution of ground state wave function for Yukawa potential

International Nuclear Information System (INIS)

Zhang Zhao

2003-01-01

The newly developed single trajectory quadrature method is applied to solve central potentials. First, based on the series expansion method an exact analytic solution of the ground state for Hulthen potential and an approximate solution for Yukawa potential are obtained respectively. Second, the newly developed iterative method based on Green function defined by quadratures along the single trajectory is applied to solve Yukawa potential using the Coulomb solution and Hulthen solution as the trial functions respectively. The results show that a more proper choice of the trial function will give a better convergence. To further improve the convergence the iterative method is combined with the variational method to solve the ground state wave function for Yukawa potential, using variational solutions of the Coulomb and Hulthen potentials as the trial functions. The results give much better convergence. Finally, the obtained critical screen coefficient is applied to discuss the dissociate temperature of J/ψ in high temperature QGP

Gas-kinetic unified algorithm for hypersonic flows covering various flow regimes solving Boltzmann model equation in nonequilibrium effect

International Nuclear Information System (INIS)

Li, Zhihui; Ma, Qiang; Wu, Junlin; Jiang, Xinyu; Zhang, Hanxin

2014-01-01

Based on the Gas-Kinetic Unified Algorithm (GKUA) directly solving the Boltzmann model equation, the effect of rotational non-equilibrium is investigated recurring to the kinetic Rykov model with relaxation property of rotational degrees of freedom. The spin movement of diatomic molecule is described by moment of inertia, and the conservation of total angle momentum is taken as a new Boltzmann collision invariant. The molecular velocity distribution function is integrated by the weight factor on the internal energy, and the closed system of two kinetic controlling equations is obtained with inelastic and elastic collisions. The optimization selection technique of discrete velocity ordinate points and numerical quadrature rules for macroscopic flow variables with dynamic updating evolvement are developed to simulate hypersonic flows, and the gas-kinetic numerical scheme is constructed to capture the time evolution of the discretized velocity distribution functions. The gas-kinetic boundary conditions in thermodynamic non-equilibrium and numerical procedures are studied and implemented by directly acting on the velocity distribution function, and then the unified algorithm of Boltzmann model equation involving non-equilibrium effect is presented for the whole range of flow regimes. The hypersonic flows involving non-equilibrium effect are numerically simulated including the inner flows of shock wave structures in nitrogen with different Mach numbers of 1.5-Ma-25, the planar ramp flow with the whole range of Knudsen numbers of 0.0009-Kn-10 and the three-dimensional re-entering flows around tine double-cone body

Memory Effects and Nonequilibrium Correlations in the Dynamics of Open Quantum Systems

Science.gov (United States)

Morozov, V. G.

2018-01-01

We propose a systematic approach to the dynamics of open quantum systems in the framework of Zubarev's nonequilibrium statistical operator method. The approach is based on the relation between ensemble means of the Hubbard operators and the matrix elements of the reduced statistical operator of an open quantum system. This key relation allows deriving master equations for open systems following a scheme conceptually identical to the scheme used to derive kinetic equations for distribution functions. The advantage of the proposed formalism is that some relevant dynamical correlations between an open system and its environment can be taken into account. To illustrate the method, we derive a non-Markovian master equation containing the contribution of nonequilibrium correlations associated with energy conservation.

Large thermoelectric efficiency of doped polythiophene junction: A density functional study

Science.gov (United States)

Golsanamlou, Zahra; Bagheri Tagani, Meysam; Rahimpour Soleimani, Hamid

2018-06-01

The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on the thermoelectric efficiency of the PT junction is investigated in different concentrations of the dopants for two lengths of the PT. Results show that the presence of dopants can bring the structural changes in the oligomer and modify the arrangement of the molecular levels leading to the dramatic changes in the transmission spectra of the junction. Therefore, the large enhancement in thermopower and consequently figure of merit is obtained by dopants which makes the doped PT junction as a beneficial thermoelectric device.

Generalized relations among N-dimensional Coulomb Green's functions using fractional derivatives

International Nuclear Information System (INIS)

Blinder, S.M.; Pollock, E.L.

1989-01-01

Hostler [J. Math. Phys. 11, 2966 (1970)] has shown that Coulomb Green's functions of different dimensionality N are related by G (N+2) =OG (N) , where O is a first-order derivative operator in the variables x and y. Thus all the even-dimensional functions are connected, as are analogously the odd-dimensional functions. It is shown that the operations of functional differentiation and integration can further connect the even- to the odd-dimensional functions, so that Hostler's relation can be extended to give G (N+1) =O 1/2 G (N)

The statistical error of Green's function Monte Carlo

International Nuclear Information System (INIS)

Ceperley, D.M.

1986-01-01

The statistical error in the ground state energy as calculated by Green's Function Monte Carlo (GFMC) is analyzed and a simple approximate formula is derived which relates the error to the number of steps of the random walk, the variational energy of the trial function, and the time step of the random walk. Using this formula it is argued that as the thermodynamic limit is approached with N identical molecules, the computer time needed to reach a given error per molecule increases as N/sup n/ where 0.5 < b < 1.5 and as the nuclear charge Z of a system is increased the computer time necessary to reach a given error grows as Z/sup 5.5/. Thus GFMC simulations will be most useful for calculating the properties of low Z elements. The implications for choosing the optimal trial function from a series of trial functions is also discussed

Nonequilibrium fluctuations in a resistor.

Science.gov (United States)

Garnier, N; Ciliberto, S

2005-06-01

In small systems where relevant energies are comparable to thermal agitation, fluctuations are of the order of average values. In systems in thermodynamical equilibrium, the variance of these fluctuations can be related to the dissipation constant in the system, exploiting the fluctuation-dissipation theorem. In nonequilibrium steady systems, fluctuations theorems (FT) additionally describe symmetry properties of the probability density functions (PDFs) of the fluctuations of injected and dissipated energies. We experimentally probe a model system: an electrical dipole driven out of equilibrium by a small constant current I, and show that FT are experimentally accessible and valid. Furthermore, we stress that FT can be used to measure the dissipated power P = R I2 in the system by just studying the PDFs' symmetries.

Estimates for the mixed derivatives of the Green functions on homogeneous manifolds of negative curvature

Directory of Open Access Journals (Sweden)

Roman Urban

2004-12-01

Full Text Available We consider the Green functions for second-order left-invariant differential operators on homogeneous manifolds of negative curvature, being a semi-direct product of a nilpotent Lie group $N$ and $A=mathbb{R}^+$. We obtain estimates for mixed derivatives of the Green functions both in the coercive and non-coercive case. The current paper completes the previous results obtained by the author in a series of papers [14,15,16,19].

Nonequilibrium thermodynamics and a fluctuation theorem for individual reaction steps in a chemical reaction network

International Nuclear Information System (INIS)

Pal, Krishnendu; Das, Biswajit; Banerjee, Kinshuk; Gangopadhyay, Gautam

2015-01-01

We have introduced an approach to nonequilibrium thermodynamics of an open chemical reaction network in terms of the propensities of the individual elementary reactions and the corresponding reverse reactions. The method is a microscopic formulation of the dissipation function in terms of the relative entropy or Kullback-Leibler distance which is based on the analogy of phase space trajectory with the path of elementary reactions in a network of chemical process. We have introduced here a fluctuation theorem valid for each opposite pair of elementary reactions which is useful in determining the contribution of each sub-reaction on the nonequilibrium thermodynamics of overall reaction. The methodology is applied to an oligomeric enzyme kinetics at a chemiostatic condition that leads the reaction to a nonequilibrium steady state for which we have estimated how each step of the reaction is energy driven or entropy driven to contribute to the overall reaction. (paper)

VALIDITY OF EXCESS ENTROPY PRODUCTION CRITERION OF THERMODYNAMIC STABILITY FOR NONEQUILIBRIUM STEADY STATES

Institute of Scientific and Technical Information of China (English)

吴金平

1991-01-01

The relation between the excess entropy production criterion of thermodynamic stabilityfor nonequilibrium states and kinetic linear stability principle is discussed. It is shown thatthe condition required by the excess entropy production criterion generally is sufficient, butnot necessary to judge the system stability. The condition required by the excess entropyproduction criterion is stronger than that of the linear stability principle. Only when theproduct matrix between the linearized matrix of kinetic equations and matrix of quadraticform of second-order excess entropy is symmetric, is the condition required by the excessentropy production criterion that the steady steate is asymptotically stable (δ_xP>0) necessaryand sufficient. The counterexample given by Fox to prove that the excess entropy, (δ~2S)ss,is not a Liapunov function is incorrect. Contradictory to his conclusion, the counterexampleis just a positive one that proves that the excess entropy is a Liapunov function. Moreover,the excess entropy production criterion is not limited by symmetric conditions of the linear-ized matrix of kinetic equations. The excess entropy around nonequilibrium steady states,(δ~2S)ss, is a Liapunov function of thermodynamic system.

Finite-Source Inversion for the 2004 Parkfield Earthquake using 3D Velocity Model Green's Functions

Science.gov (United States)

Kim, A.; Dreger, D.; Larsen, S.

2008-12-01

We determine finite fault models of the 2004 Parkfield earthquake using 3D Green's functions. Because of the dense station coverage and detailed 3D velocity structure model in this region, this earthquake provides an excellent opportunity to examine how the 3D velocity structure affects the finite fault inverse solutions. Various studies (e.g. Michaels and Eberhart-Phillips, 1991; Thurber et al., 2006) indicate that there is a pronounced velocity contrast across the San Andreas Fault along the Parkfield segment. Also the fault zone at Parkfield is wide as evidenced by mapped surface faults and where surface slip and creep occurred in the 1966 and the 2004 Parkfield earthquakes. For high resolution images of the rupture process"Ait is necessary to include the accurate 3D velocity structure for the finite source inversion. Liu and Aurchuleta (2004) performed finite fault inversions using both 1D and 3D Green's functions for 1989 Loma Prieta earthquake using the same source paramerization and data but different Green's functions and found that the models were quite different. This indicates that the choice of the velocity model significantly affects the waveform modeling at near-fault stations. In this study, we used the P-wave velocity model developed by Thurber et al (2006) to construct the 3D Green's functions. P-wave speeds are converted to S-wave speeds and density using by the empirical relationships of Brocher (2005). Using a finite difference method, E3D (Larsen and Schultz, 1995), we computed the 3D Green's functions numerically by inserting body forces at each station. Using reciprocity, these Green's functions are recombined to represent the ground motion at each station due to the slip on the fault plane. First we modeled the waveforms of small earthquakes to validate the 3D velocity model and the reciprocity of the Green"fs function. In the numerical tests we found that the 3D velocity model predicted the individual phases well at frequencies lower than 0

Nonequilibrium dynamics in an interacting Fe-C nanoparticle system

DEFF Research Database (Denmark)

Jönsson, P.; Hansen, Mikkel Fougt; Nordblad, P.

2000-01-01

Nonequilibrium dynamics in an interacting Fe-C nanoparticle sample, exhibiting a low-temperature spin-glass-like phase, has been studied by low-frequency ac susceptibility and magnetic relaxation experiments. The nonequilibrium behavior shows characteristic spin-glass features, but some qualitative...

Nonequilibrium molecular dynamics theory, algorithms and applications

CERN Document Server

Todd, Billy D

2017-01-01

Written by two specialists with over twenty-five years of experience in the field, this valuable text presents a wide range of topics within the growing field of nonequilibrium molecular dynamics (NEMD). It introduces theories which are fundamental to the field - namely, nonequilibrium statistical mechanics and nonequilibrium thermodynamics - and provides state-of-the-art algorithms and advice for designing reliable NEMD code, as well as examining applications for both atomic and molecular fluids. It discusses homogenous and inhomogenous flows and pays considerable attention to highly confined fluids, such as nanofluidics. In addition to statistical mechanics and thermodynamics, the book covers the themes of temperature and thermodynamic fluxes and their computation, the theory and algorithms for homogenous shear and elongational flows, response theory and its applications, heat and mass transport algorithms, applications in molecular rheology, highly confined fluids (nanofluidics), the phenomenon of slip and...

Nonequilibrium mesoscopic transport: a genealogy

International Nuclear Information System (INIS)

Das, Mukunda P; Green, Frederick

2012-01-01

Models of nonequilibrium quantum transport underpin all modern electronic devices, from the largest scales to the smallest. Past simplifications such as coarse graining and bulk self-averaging served well to understand electronic materials. Such particular notions become inapplicable at mesoscopic dimensions, edging towards the truly quantum regime. Nevertheless a unifying thread continues to run through transport physics, animating the design of small-scale electronic technology: microscopic conservation and nonequilibrium dissipation. These fundamentals are inherent in quantum transport and gain even greater and more explicit experimental meaning in the passage to atomic-sized devices. We review their genesis, their theoretical context, and their governing role in the electronic response of meso- and nanoscopic systems. (topical review)

Numerical simulation of electromagnetic waves in Schwarzschild space-time by finite difference time domain method and Green function method

Science.gov (United States)

Jia, Shouqing; La, Dongsheng; Ma, Xuelian

2018-04-01

The finite difference time domain (FDTD) algorithm and Green function algorithm are implemented into the numerical simulation of electromagnetic waves in Schwarzschild space-time. FDTD method in curved space-time is developed by filling the flat space-time with an equivalent medium. Green function in curved space-time is obtained by solving transport equations. Simulation results validate both the FDTD code and Green function code. The methods developed in this paper offer a tool to solve electromagnetic scattering problems.

Wave resistance calculation method combining Green functions based on Rankine and Kelvin source

Directory of Open Access Journals (Sweden)

LI Jingyu

2017-12-01

Full Text Available [Ojectives] At present, the Boundary Element Method(BEM of wave-making resistance mostly uses a model in which the velocity distribution near the hull is solved first, and the pressure integral is then calculated using the Bernoulli equation. However,the process of this model of wave-making resistance is complex and has low accuracy.[Methods] To address this problem, the present paper deduces a compound method for the quick calculation of ship wave resistance using the Rankine source Green function to solve the hull surface's source density, and combining the Lagally theorem concerning source point force calculation based on the Kelvin source Green function so as to solve the wave resistance. A case for the Wigley model is given.[Results] The results show that in contrast to the thin ship method of the linear wave resistance theorem, this method has higher precision, and in contrast to the method which completely uses the Kelvin source Green function, this method has better computational efficiency.[Conclusions] In general, the algorithm in this paper provides a compromise between precision and efficiency in wave-making resistance calculation.

Nonequilibrium thermodynamics of nucleation

NARCIS (Netherlands)

Schweizer, M.; Sagis, L.M.C.

2014-01-01

We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a

Nonequilibrium fermion production in quantum field theory

International Nuclear Information System (INIS)

Pruschke, Jens

2010-01-01

The creation of matter in the early universe or in relativistic heavy-ion collisions is inevitable connected to nonequilibrium physics. One of the key challenges is the explanation of the corresponding thermalization process following nonequilibrium instabilities. The role of fermionic quantum fields in such scenarios is discussed in the literature by using approximations of field theories which neglect important quantum corrections. This thesis goes beyond such approximations. A quantum field theory where scalar bosons interact with Dirac fermions via a Yukawa coupling is analyzed in the 2PI effective action formalism. The chosen approximation allows for a correct description of the dynamics including nonequilibrium instabilities. In particular, fermion-boson loop corrections allow to study the interaction of fermions with large boson fluctuations. The applied initial conditions generate nonequilibrium instabilities like parametric resonance or spinodal instabilities. The equations of motion for correlation functions are solved numerically and major characteristics of the fermion dynamics are described by analytical solutions. New mechanisms for the production of fermions are found. Simulations in the case of spinodal instability show that unstable boson fluctuations induce exponentially growing fermion modes with approximately the same growth rate. If the unstable regime lasts long enough a thermalization of the infrared part of the fermion occupation number occurs on time scales much shorter than the time scale on which bosonic quantum fields thermalize. Fermions acquire an excess of occupation in the ultraviolet regime compared to a Fermi-Dirac statistic characterized by a power-law with exponent two. The fermion production mechanism via parametric resonance is found to be most efficient after the instability ends. Quantum corrections then provide a very efficient particle creation mechanism which is interpreted as an amplification of decay processes. The ratio

Nonequilibrium fermion production in quantum field theory

Energy Technology Data Exchange (ETDEWEB)

Pruschke, Jens

2010-06-16

The creation of matter in the early universe or in relativistic heavy-ion collisions is inevitable connected to nonequilibrium physics. One of the key challenges is the explanation of the corresponding thermalization process following nonequilibrium instabilities. The role of fermionic quantum fields in such scenarios is discussed in the literature by using approximations of field theories which neglect important quantum corrections. This thesis goes beyond such approximations. A quantum field theory where scalar bosons interact with Dirac fermions via a Yukawa coupling is analyzed in the 2PI effective action formalism. The chosen approximation allows for a correct description of the dynamics including nonequilibrium instabilities. In particular, fermion-boson loop corrections allow to study the interaction of fermions with large boson fluctuations. The applied initial conditions generate nonequilibrium instabilities like parametric resonance or spinodal instabilities. The equations of motion for correlation functions are solved numerically and major characteristics of the fermion dynamics are described by analytical solutions. New mechanisms for the production of fermions are found. Simulations in the case of spinodal instability show that unstable boson fluctuations induce exponentially growing fermion modes with approximately the same growth rate. If the unstable regime lasts long enough a thermalization of the infrared part of the fermion occupation number occurs on time scales much shorter than the time scale on which bosonic quantum fields thermalize. Fermions acquire an excess of occupation in the ultraviolet regime compared to a Fermi-Dirac statistic characterized by a power-law with exponent two. The fermion production mechanism via parametric resonance is found to be most efficient after the instability ends. Quantum corrections then provide a very efficient particle creation mechanism which is interpreted as an amplification of decay processes. The ratio

Order- N Green's Function Technique for Local Environment Effects in Alloys

DEFF Research Database (Denmark)

Abrikosov, I. A.; Niklasson, A. M. N.; Simak, S. I.

1996-01-01

We have developed a new approach to the calculations of ground state properties of large crystalline systems with arbitrary atomic configurations based on a Green's function technique in conjunction with a self-consistent effective medium for the underlying randomly occupied lattice. The locally...

Optimum Design of Multi-Function Robot Arm Gripper for Varying Shape Green Product

Directory of Open Access Journals (Sweden)

Razali Zol Bahri

2016-01-01

Full Text Available The project focuses on thorough experimentally studies of the optimum design of Multi-function Robot Arm Gripper for varying shape green product. The purpose of this project is to design a few of robot arm gripper for multi-functionally grip a green product with varying shape. The main character of the gripper is that it can automated adjust its finger to suit with the shape of the product. An optimum design of multi-function robot arm gripper is verified through experimental study. The expected result is a series of analytical results on the proposal of gripper design and material that will be selected for the gripper. The analysis of the gripper design proposal by using ANSYS and CATIA software is described in detail in this paper.

Efficiency bounds for nonequilibrium heat engines

International Nuclear Information System (INIS)

Mehta, Pankaj; Polkovnikov, Anatoli

2013-01-01

We analyze the efficiency of thermal engines (either quantum or classical) working with a single heat reservoir like an atmosphere. The engine first gets an energy intake, which can be done in an arbitrary nonequilibrium way e.g. combustion of fuel. Then the engine performs the work and returns to the initial state. We distinguish two general classes of engines where the working body first equilibrates within itself and then performs the work (ergodic engine) or when it performs the work before equilibrating (non-ergodic engine). We show that in both cases the second law of thermodynamics limits their efficiency. For ergodic engines we find a rigorous upper bound for the efficiency, which is strictly smaller than the equivalent Carnot efficiency. I.e. the Carnot efficiency can be never achieved in single reservoir heat engines. For non-ergodic engines the efficiency can be higher and can exceed the equilibrium Carnot bound. By extending the fundamental thermodynamic relation to nonequilibrium processes, we find a rigorous thermodynamic bound for the efficiency of both ergodic and non-ergodic engines and show that it is given by the relative entropy of the nonequilibrium and initial equilibrium distributions. These results suggest a new general strategy for designing more efficient engines. We illustrate our ideas by using simple examples. -- Highlights: ► Derived efficiency bounds for heat engines working with a single reservoir. ► Analyzed both ergodic and non-ergodic engines. ► Showed that non-ergodic engines can be more efficient. ► Extended fundamental thermodynamic relation to arbitrary nonequilibrium processes

Crossover from Nonequilibrium Fractal Growth to Equilibrium Compact Growth

DEFF Research Database (Denmark)

Sørensen, Erik Schwartz; Fogedby, Hans C.; Mouritsen, Ole G.

1988-01-01

Solidification controlled by vacancy diffusion is studied by Monte Carlo simulations of a two-dimensional Ising model defined by a Hamiltonian which models a thermally driven fluid-solid phase transition. The nonequilibrium morphology of the growing solid is studied as a function of time as the s...... as the system relaxes into equilibrium described by a temperature. At low temperatures the model exhibits fractal growth at early times and crossover to compact solidification as equilibrium is approached....

The Hadamard construction of Green's functions on a curved space-time: physics and explicit rigorous results

International Nuclear Information System (INIS)

John, R.W.

1987-01-01

First, in connection with their construction due to Hadamard, the mathematical and physical meaning of covariant Green's functions in relativistic gravitational fields - according to Einstein: on curved space-time - is discussed. Then, in the case of a general static spherically symmetric space-time the construction equations for a scalar Green's function are cast into symmetry-adapted form providing a convenient starting point for an explicit calculation of the Hadamard building elements. In applying the obtained basic scheme to a special one-parameter family of model metrics one succeeds in advancing to the explicit exact calculation of tail-term coefficients of a massless Green's function which are simultaneously coefficients in the Schwinger-De Witt expansion of the Feynman propagator for the corresponding massive Klein-Gordon equation on curved space-time. (author)

Anomalous non-equilibrium electron transport in one-dimensional quantum nano wire at half-filling: time dependent density renormalization group study

Energy Technology Data Exchange (ETDEWEB)

Okumura, M; Onishi, H; Yamada, S; Machida, M, E-mail: okumura@riken.j

2010-11-01

We study non-equilibrium properties of one-dimensional Hubbard model by the density-matrix renormalization-group method. First, we demonstrate stability of 'doublon', which characterized by double occupation on a site due to the integrability of the model. Next, we present a kind of anomalous transport caused by the doublons created under strong non-equilibrium conditions in an optical lattice system regarded as an ideal testbed to investigate fundamental properties of the Hubbard model. Finally, we give a result on development of the pair correlation function in a strong non-equilibrium condition. This can be understood as a development of coherence among many excited doublons.

Green functions for an electron in an external electromagnetic field

International Nuclear Information System (INIS)

Khokhlov, I.A.

1982-01-01

New representations permitting to considerably simplify their calculation have been obtained for the Green functions of electron. These representations are based on an idea, used in the quantum electrodynamics formulation in variables of a zero plane, of writing down the Dirac field operator psi through its part psisub((-)). It is shown that T product of psi and psi + operators can be expressed through T product of their parts psisub((-)) and psisub((-))sup(+). At that, if the anticommutator of the operators psisub((-)) and psisub((-))sup(+) satisfies the initial condition, the operations of the chronological ordering of the operator product psi(-) and psisub((-))sup(+) with respect to variable x 0 and variable u 0 playing a part of time in the formulation of the zero plane (Pu 0 product) coincide. In correspondence with this fact all the Green functions of electron can be expressed depending on the convenience of concrete calculations through vacuum averages of either from T product or from Pu 0 product of psisub((-)) and psisub((-))sup(+) operators only [ru

Green's function method for perturbed Korteweg-de Vries equation

International Nuclear Information System (INIS)

Cai Hao; Huang Nianning

2003-01-01

The x-derivatives of squared Jost solution are the eigenfunctions with the zero eigenvalue of the linearized equation derived from the perturbed Korteweg-de Vries equation. A method similar to Green's function formalism is introduced to show the completeness of the squared Jost solutions in multi-soliton cases. It is not related to Lax equations directly, and thus it is beneficial to deal with the nonlinear equations with complicated Lax pair

On the fundamental equation of nonequilibrium statistical physics—Nonequilibrium entropy evolution equation and the formula for entropy production rate

Institute of Scientific and Technical Information of China (English)

无

2010-01-01

In this paper the author presents an overview on his own research works. More than ten years ago, we proposed a new fundamental equation of nonequilibrium statistical physics in place of the present Liouville equation. That is the stochastic velocity type’s Langevin equation in 6N dimensional phase space or its equivalent Liouville diffusion equation. This equation is time-reversed asymmetrical. It shows that the form of motion of particles in statistical thermodynamic systems has the drift-diffusion duality, and the law of motion of statistical thermodynamics is expressed by a superposition of both the law of dynamics and the stochastic velocity and possesses both determinism and probability. Hence it is different from the law of motion of particles in dynamical systems. The stochastic diffusion motion of the particles is the microscopic origin of macroscopic irreversibility. Starting from this fundamental equation the BBGKY diffusion equation hierarchy, the Boltzmann collision diffusion equation, the hydrodynamic equations such as the mass drift-diffusion equation, the Navier-Stokes equation and the thermal conductivity equation have been derived and presented here. What is more important, we first constructed a nonlinear evolution equation of nonequilibrium entropy density in 6N, 6 and 3 dimensional phase space, predicted the existence of entropy diffusion. This entropy evolution equation plays a leading role in nonequilibrium entropy theory, it reveals that the time rate of change of nonequilibrium entropy density originates together from its drift, diffusion and production in space. From this evolution equation, we presented a formula for entropy production rate (i.e. the law of entropy increase) in 6N and 6 dimensional phase space, proved that internal attractive force in nonequilibrium system can result in entropy decrease while internal repulsive force leads to another entropy increase, and derived a common expression for this entropy decrease rate or

Green's function Monte Carlo calculations of /sup 4/He

Energy Technology Data Exchange (ETDEWEB)

Carlson, J.A.

1988-01-01

Green's Function Monte Carlo methods have been developed to study the ground state properties of light nuclei. These methods are shown to reproduce results of Faddeev calculations for A = 3, and are then used to calculate ground state energies, one- and two-body distribution functions, and the D-state probability for the alpha particle. Results are compared to variational Monte Carlo calculations for several nuclear interaction models. 31 refs.

Nonequilibrium statistical mechanics ensemble method

CERN Document Server

Eu, Byung Chan

1998-01-01

In this monograph, nonequilibrium statistical mechanics is developed by means of ensemble methods on the basis of the Boltzmann equation, the generic Boltzmann equations for classical and quantum dilute gases, and a generalised Boltzmann equation for dense simple fluids The theories are developed in forms parallel with the equilibrium Gibbs ensemble theory in a way fully consistent with the laws of thermodynamics The generalised hydrodynamics equations are the integral part of the theory and describe the evolution of macroscopic processes in accordance with the laws of thermodynamics of systems far removed from equilibrium Audience This book will be of interest to researchers in the fields of statistical mechanics, condensed matter physics, gas dynamics, fluid dynamics, rheology, irreversible thermodynamics and nonequilibrium phenomena

A Novel Derivation of the Time Evolution of the Entropy for Macroscopic Systems in Thermal Non-Equilibrium

Directory of Open Access Journals (Sweden)

Enrico Sciubba

2017-11-01

Full Text Available The paper discusses how the two thermodynamic properties, energy (U and exergy (E, can be used to solve the problem of quantifying the entropy of non-equilibrium systems. Both energy and exergy are a priori concepts, and their formal dependence on thermodynamic state variables at equilibrium is known. Exploiting the results of a previous study, we first calculate the non-equilibrium exergy En-eq can be calculated for an arbitrary temperature distributions across a macroscopic body with an accuracy that depends only on the available information about the initial distribution: the analytical results confirm that En-eq exponentially relaxes to its equilibrium value. Using the Gyftopoulos-Beretta formalism, a non-equilibrium entropy Sn-eq(x,t is then derived from En-eq(x,t and U(x,t. It is finally shown that the non-equilibrium entropy generation between two states is always larger than its equilibrium (herein referred to as “classical” counterpart. We conclude that every iso-energetic non-equilibrium state corresponds to an infinite set of non-equivalent states that can be ranked in terms of increasing entropy. Therefore, each point of the Gibbs plane corresponds therefore to a set of possible initial distributions: the non-equilibrium entropy is a multi-valued function that depends on the initial mass and energy distribution within the body. Though the concept cannot be directly extended to microscopic systems, it is argued that the present formulation is compatible with a possible reinterpretation of the existing non-equilibrium formulations, namely those of Tsallis and Grmela, and answers at least in part one of the objections set forth by Lieb and Yngvason. A systematic application of this paradigm is very convenient from a theoretical point of view and may be beneficial for meaningful future applications in the fields of nano-engineering and biological sciences.

An integral transform of Green's function, off-shell Jost solution and T ...

Indian Academy of Sciences (India)

integral transform of the Green's function for motion in Coulomb–Yamaguchi potential is derived via the r-space ... use in the calculation of the corresponding off-shell quantities without the explicit use of two-potential theorem and ..... (x), spherical Bessel function and gli(βli,r)s, the form factors of the sep- arable potential the ...

Nonequilibrium entropies

International Nuclear Information System (INIS)

Maes, Christian

2012-01-01

In contrast to the quite unique entropy concept useful for systems in (local) thermodynamic equilibrium, there is a variety of quite distinct nonequilibrium entropies, reflecting different physical points. We disentangle these entropies as they relate to heat, fluctuations, response, time asymmetry, variational principles, monotonicity, volume contraction or statistical forces. However, not all of those extensions yield state quantities as understood thermodynamically. At the end we sketch how aspects of dynamical activity can take over for obtaining an extended Clausius relation.

Spectral non-equilibrium property in homogeneous isotropic turbulence and its implication in subgrid-scale modeling

Energy Technology Data Exchange (ETDEWEB)

Fang, Le [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Zhu, Ying [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Liu, Yangwei, E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Lu, Lipeng [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

2015-10-09

The non-equilibrium property in turbulence is a non-negligible problem in large-eddy simulation but has not yet been systematically considered. The generalization from equilibrium turbulence to non-equilibrium turbulence requires a clear recognition of the non-equilibrium property. As a preliminary step of this recognition, the present letter defines a typical non-equilibrium process, that is, the spectral non-equilibrium process, in homogeneous isotropic turbulence. It is then theoretically investigated by employing the skewness of grid-scale velocity gradient, which permits the decomposition of resolved velocity field into an equilibrium one and a time-reversed one. Based on this decomposition, an improved Smagorinsky model is proposed to correct the non-equilibrium behavior of the traditional Smagorinsky model. The present study is expected to shed light on the future studies of more generalized non-equilibrium turbulent flows. - Highlights: • A spectral non-equilibrium process in isotropic turbulence is defined theoretically. • A decomposition method is proposed to divide a non-equilibrium turbulence field. • An improved Smagorinsky model is proposed to correct the non-equilibrium behavior.

Development of multi-functional streetscape green infrastructure using a performance index approach

Czech Academy of Sciences Publication Activity Database

Tiwary, A.; Williams, L. D.; Heidrich, O.; Namdeo, A.; Bandaru, V.; Calfapietra, Carlo

2016-01-01

Roč. 208, jan (2016), s. 209-220 ISSN 0269-7491 Institutional support: RVO:67179843 Keywords : Green infrastructure * Multi-functional * Pollution * Performance index * Streetscape Subject RIV: EH - Ecology, Behaviour Impact factor: 5.099, year: 2016

Quantum Transport Through Tunable Molecular Diodes

KAUST Repository

Obodo, Tobechukwu Joshua; Murat, Altynbek; Schwingenschlö gl, Udo

2017-01-01

Employing self-interaction corrected density functional theory combined with the non-equilibrium Green's function method, we study the quantum transport through molecules with different numbers of phenyl (donor) and pyrimidinyl (acceptor) rings

Current-induced energy barrier suppression for electromigration from first principles

KAUST Repository

Zhang, Ruoxing; Rungger, Ivan; Sanvito, Stefano; Hou, Shimin

2011-01-01

We present an efficient method for evaluating current-induced forces in nanoscale junctions, which naturally integrates into the nonequilibrium Green's function formalism implemented within density functional theory. This allows us to perform

An extended diffraction tomography method for quantifying structural damage using numerical Green's functions.

Science.gov (United States)

Chan, Eugene; Rose, L R Francis; Wang, Chun H

2015-05-01

Existing damage imaging algorithms for detecting and quantifying structural defects, particularly those based on diffraction tomography, assume far-field conditions for the scattered field data. This paper presents a major extension of diffraction tomography that can overcome this limitation and utilises a near-field multi-static data matrix as the input data. This new algorithm, which employs numerical solutions of the dynamic Green's functions, makes it possible to quantitatively image laminar damage even in complex structures for which the dynamic Green's functions are not available analytically. To validate this new method, the numerical Green's functions and the multi-static data matrix for laminar damage in flat and stiffened isotropic plates are first determined using finite element models. Next, these results are time-gated to remove boundary reflections, followed by discrete Fourier transform to obtain the amplitude and phase information for both the baseline (damage-free) and the scattered wave fields. Using these computationally generated results and experimental verification, it is shown that the new imaging algorithm is capable of accurately determining the damage geometry, size and severity for a variety of damage sizes and shapes, including multi-site damage. Some aspects of minimal sensors requirement pertinent to image quality and practical implementation are also briefly discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation

Science.gov (United States)

Plante, Ianik; Wu, Honglu

2014-01-01

Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the

Essential equivalence of the general equation for the nonequilibrium reversible-irreversible coupling (GENERIC) and steepest-entropy-ascent models of dissipation for nonequilibrium thermodynamics.

Science.gov (United States)

Montefusco, Alberto; Consonni, Francesco; Beretta, Gian Paolo

2015-04-01

By reformulating the steepest-entropy-ascent (SEA) dynamical model for nonequilibrium thermodynamics in the mathematical language of differential geometry, we compare it with the primitive formulation of the general equation for the nonequilibrium reversible-irreversible coupling (GENERIC) model and discuss the main technical differences of the two approaches. In both dynamical models the description of dissipation is of the "entropy-gradient" type. SEA focuses only on the dissipative, i.e., entropy generating, component of the time evolution, chooses a sub-Riemannian metric tensor as dissipative structure, and uses the local entropy density field as potential. GENERIC emphasizes the coupling between the dissipative and nondissipative components of the time evolution, chooses two compatible degenerate structures (Poisson and degenerate co-Riemannian), and uses the global energy and entropy functionals as potentials. As an illustration, we rewrite the known GENERIC formulation of the Boltzmann equation in terms of the square root of the distribution function adopted by the SEA formulation. We then provide a formal proof that in more general frameworks, whenever all degeneracies in the GENERIC framework are related to conservation laws, the SEA and GENERIC models of the dissipative component of the dynamics are essentially interchangeable, provided of course they assume the same kinematics. As part of the discussion, we note that equipping the dissipative structure of GENERIC with the Leibniz identity makes it automatically SEA on metric leaves.

Non-equilibrium phase transition

International Nuclear Information System (INIS)

Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.

1998-01-01

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken

The Impact of Working in a Green Certified Building on Cognitive Function and Health.

Science.gov (United States)

MacNaughton, Piers; Satish, Usha; Laurent, Jose Guillermo Cedeno; Flanigan, Skye; Vallarino, Jose; Coull, Brent; Spengler, John D; Allen, Joseph G

2017-03-01

Thirty years of public health research have demonstrated that improved indoor environmental quality is associated with better health outcomes. Recent research has demonstrated an impact of the indoor environment on cognitive function. We recruited 109 participants from 10 high-performing buildings (i.e. buildings surpassing the ASHRAE Standard 62.1-2010 ventilation requirement and with low total volatile organic compound concentrations) in five U.S. cities. In each city, buildings were matched by week of assessment, tenant, type of worker and work functions. A key distinction between the matched buildings was whether they had achieved green certification. Workers were administered a cognitive function test of higher order decision-making performance twice during the same week while indoor environmental quality parameters were monitored. Workers in green certified buildings scored 26.4% (95% CI: [12.8%, 39.7%]) higher on cognitive function tests, controlling for annual earnings, job category and level of schooling, and had 30% fewer sick building symptoms than those in non-certified buildings. These outcomes may be partially explained by IEQ factors, including thermal conditions and lighting, but the findings suggest that the benefits of green certification standards go beyond measureable IEQ factors. We describe a holistic "buildingomics" approach for examining the complexity of factors in a building that influence human health.

Investigation of Non-Equilibrium Radiation for Earth Entry

Science.gov (United States)

Brandis, A. M.; Johnston, C. O.; Cruden, B. A.

2016-01-01

For Earth re-entry at velocities between 8 and 11.5 km/s, the accuracy of NASA's computational uid dynamic and radiative simulations of non-equilibrium shock layer radiation is assessed through comparisons with measurements. These measurements were obtained in the NASA Ames Research Center's Electric Arc Shock Tube (EAST) facility. The experiments were aimed at measuring the spatially and spectrally resolved radiance at relevant entry conditions for both an approximate Earth atmosphere (79% N2 : 21% O2 by mole) as well as a more accurate composition featuring the trace species Ar and CO2 (78.08% N2 : 20.95% O2 : 0.04% CO2 : 0.93% Ar by mole). The experiments were configured to target a wide range of conditions, of which shots from 8 to 11.5 km/s at 0.2 Torr (26.7 Pa) are examined in this paper. The non-equilibrium component was chosen to be the focus of this study as it can account for a significant percentage of the emitted radiation for Earth re-entry, and more importantly, non-equilibrium has traditionally been assigned a large uncertainty for vehicle design. The main goals of this study are to present the shock tube data in the form of a non-equilibrium metric, evaluate the level of agreement between the experiment and simulations, identify key discrepancies and to examine critical aspects of modeling non-equilibrium radiating flows. Radiance pro les integrated over discreet wavelength regions, ranging from the Vacuum Ultra Violet (VUV) through to the Near Infra-Red (NIR), were compared in order to maximize both the spectral coverage and the number of experiments that could be used in the analysis. A previously defined non-equilibrium metric has been used to allow comparisons with several shots and reveal trends in the data. Overall, LAURA/HARA is shown to under-predict EAST by as much as 40% and over-predict by as much as 12% depending on the shock speed. DPLR/NEQAIR is shown to under-predict EAST by as much as 50% and over-predict by as much as 20% depending

Lennard-Jones triple-point bulk and shear viscosities. Green-Kubo theory, Hamiltonian mechanics, and nonequilibrium molecular dynamics

International Nuclear Information System (INIS)

Hoover, W.G.; Evans, D.J.; Hickman, R.B.; Ladd, A.J.C.; Ashurst, W.T.; Moran, B.

1980-01-01

A new Hamiltonian method for deformation simulations is related to the Green-Kubo fluctuation theory through perturbation theory and linear-response theory. Numerical results for the bulk and shear viscosity coefficients are compared to corresponding Green-Kubo calculations. Both viscosity coefficients depend similarly on frequency, in a way consistent with enhanced ''long-time tails.''

The behavior of matter under nonequilibrium conditions: Fundamental aspects and applications

International Nuclear Information System (INIS)

Prigogine, I.

1989-10-01

As in the previous period, our work has been concerned with the study of the properties of nonequilibrium systems and especially with the mechanism of self-organization. As is well-known, the study of self-organization began with the investigation of hydrodynamical or chemical instabilities studied from the point of view of macroscopic physics. The main outcome is that nonequilibrium generates spatial correlations of macroscopic physics. The main outcome is that nonequilibrium generates spatial correlations of macroscopic range whose characteristics length is an intrinsic property and whose amplitude is determined by nonequilibrium constraints. A survey of the macroscopic approach to nonequilibrium states is given in the paper ''Nonequilibrium States and Long Range Correlations in Chemical Dynamics,'' by G. Nicolis et al. However, over the last few years important progress has been made in the simulation of nonequilibrium situations using mainly molecular dynamics. It appears now that processes corresponding to self-organization as well as the appearance of long-range correlations can be obtained in this way starting from a program involving Newtonian dynamics (generally the laws of interaction correspond to hard spheres or hard disks). Examples of such types of studies leading to Benard instabilities, to chemical clocks, or to spatial structure formation are given in this report. As a result, we may now view self-organization as a direct expression of an appropriate microscopic dynamics. This is the reason why we have devoted much work to the study of large Poincare systems (LPS) involving continuous sets of resonances. These systems have been shown to lead, according to the constraints, either to equilibrium situations or to nonequilibrium states involving long range correlations. We discuss LPS in the frame of classical mechanics

Non-equilibrium Quasi-Chemical Nucleation Model

Science.gov (United States)

Gorbachev, Yuriy E.

2018-04-01

Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

The bosonic thermal Green function, its dual, and the fermion correlators of the massive Thirring model at finite temperature

International Nuclear Information System (INIS)

Mondaini, Leonardo; Marino, E.C.

2011-01-01

Full text: Despite the fact that quantum field theories are usually formulated in coordinate space, calculations, in both T = 0 and T ≠ 0 cases, are almost always performed in momentum space. However, when we are faced with the exact calculation of correlation functions we are naturally led to the problem of finding closed-form expressions for Green functions in coordinate space. In the present work, we derive an exact closed-form representation for the Euclidian thermal Green function of the two-dimensional (2D) free massless scalar field in coordinate space. This can be interpreted as the real part of a complex analytic function of a variable that conformally maps the infinite strip -∞ < x < ∞ (0 < τ < β of the z = x + iτ (τ: imaginary time) plane into the upper-half-plane. Use of the Cauchy-Riemann conditions, then allows us to identify the dual thermal Green function as the imaginary part of that function. Using both the thermal Green function and its dual, we obtain an explicit series expression for the fermionic correlation functions of the massive Thirring model (MTM) at a finite temperature. (author)

A hybrid method for the parallel computation of Green's functions

DEFF Research Database (Denmark)

Petersen, Dan Erik; Li, Song; Stokbro, Kurt

2009-01-01

of the large number of times this calculation needs to be performed, this is computationally very expensive even on supercomputers. The classical approach is based on recurrence formulas which cannot be efficiently parallelized. This practically prevents the solution of large problems with hundreds...... of thousands of atoms. We propose new recurrences for a general class of sparse matrices to calculate Green's and lesser Green's function matrices which extend formulas derived by Takahashi and others. We show that these recurrences may lead to a dramatically reduced computational cost because they only...... require computing a small number of entries of the inverse matrix. Then. we propose a parallelization strategy for block tridiagonal matrices which involves a combination of Schur complement calculations and cyclic reduction. It achieves good scalability even on problems of modest size....

Nonideal plasmas as non-equilibrium media

International Nuclear Information System (INIS)

Morozov, I V; Norman, G E; Valuev, A A; Valuev, I A

2003-01-01

Various aspects of the collective behaviour of non-equilibrium nonideal plasmas are studied. The relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics (MD) method for two-component non-degenerate strongly non-equilibrium plasmas. The initial non-exponential stage, its duration and the subsequent exponential stage of the relaxation process are studied for a wide range of ion charge, nonideality parameter and ion mass. A simulation model of the nonideal plasma excited by an electron beam is proposed. An approach is developed to calculate the dynamic structure factor in non-stationary conditions. Instability increment is obtained from MD simulations

Transport properties of hydrogen passivated silicon nanotubes and silicon nanotube field effect transistors

KAUST Repository

Montes Muñ oz, Enrique; Schwingenschlö gl, Udo

2017-01-01

We investigate the electronic transport properties of silicon nanotubes attached to metallic electrodes from first principles, using density functional theory and the non-equilibrium Green's function method. The influence of the surface termination

Transition voltages of vacuum-spaced and molecular junctions with Ag and Pt electrodes

KAUST Repository

Wu, Kunlin; Bai, Meilin; Sanvito, Stefano; Hou, Shimin

2014-01-01

The transition voltage of vacuum-spaced and molecular junctions constructed with Ag and Pt electrodes is investigated by non-equilibrium Green's function formalism combined with density functional theory. Our calculations show that, similarly

Discontinuities of Green functions in field theory at finite temperature and density

International Nuclear Information System (INIS)

Kobes, R.L.; Semenoff, G.W.

1985-01-01

We derive systematic rules for calculating the imaginary parts of Minkowski space Green functions in quantum field theory at finite temperature and density. Self-energy corrections are used as an example of the application of these rules. (orig.)

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Liu, Yen, E-mail: yen.liu@nasa.gov; Vinokur, Marcel [NASA Ames Research Center, Moffett Field, California 94035 (United States); Panesi, Marco; Sahai, Amal [University of Illinois, Urbana-Champaign, Illinois 61801 (United States)

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures.

Science.gov (United States)

Liu, Yen; Panesi, Marco; Sahai, Amal; Vinokur, Marcel

2015-04-07

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model's accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

General multi-group macroscopic modeling for thermo-chemical non-equilibrium gas mixtures

International Nuclear Information System (INIS)

Liu, Yen; Vinokur, Marcel; Panesi, Marco; Sahai, Amal

2015-01-01

This paper opens a new door to macroscopic modeling for thermal and chemical non-equilibrium. In a game-changing approach, we discard conventional theories and practices stemming from the separation of internal energy modes and the Landau-Teller relaxation equation. Instead, we solve the fundamental microscopic equations in their moment forms but seek only optimum representations for the microscopic state distribution function that provides converged and time accurate solutions for certain macroscopic quantities at all times. The modeling makes no ad hoc assumptions or simplifications at the microscopic level and includes all possible collisional and radiative processes; it therefore retains all non-equilibrium fluid physics. We formulate the thermal and chemical non-equilibrium macroscopic equations and rate coefficients in a coupled and unified fashion for gases undergoing completely general transitions. All collisional partners can have internal structures and can change their internal energy states after transitions. The model is based on the reconstruction of the state distribution function. The internal energy space is subdivided into multiple groups in order to better describe non-equilibrium state distributions. The logarithm of the distribution function in each group is expressed as a power series in internal energy based on the maximum entropy principle. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients succinctly to any order. The model’s accuracy depends only on the assumed expression of the state distribution function and the number of groups used and can be self-checked for accuracy and convergence. We show that the macroscopic internal energy transfer, similar to mass and momentum transfers, occurs through nonlinear collisional processes and is not a simple relaxation process described by, e.g., the Landau-Teller equation. Unlike the classical vibrational energy

Solving two-dimensions heat conduction problem for fuel elements in reactor by nodal green's function method

International Nuclear Information System (INIS)

Tang Jian; Peng Muzhang; Cao Dongxing

1989-01-01

A new numerical method-nodal green's function method is used for solving heat conduction function. A heat conduction problem in cylindrical geometry with axial conduction is solved in this paper. The Kirchhoff transformation is used to deal with the problem with temperature dependent conductivity. Therefor, the calculation for the function is simplified. On the basis of the formulas developed, the code named NGMEFC is programmed. A sample problem which has been calculated by the code COBRA-IV is chosen as checking. A good agreement between both codes is achieved. The calculation shows that the calculation efficiency of the nodel green's function method is much higher than that of finite difference method

METHOD OF GREEN FUNCTIONS IN MATHEMATICAL MODELLING FOR TWO-POINT BOUNDARY-VALUE PROBLEMS

Directory of Open Access Journals (Sweden)

E. V. Dikareva

2015-01-01

Full Text Available Summary. In many applied problems of control, optimization, system theory, theoretical and construction mechanics, for problems with strings and nods structures, oscillation theory, theory of elasticity and plasticity, mechanical problems connected with fracture dynamics and shock waves, the main instrument for study these problems is a theory of high order ordinary differential equations. This methodology is also applied for studying mathematical models in graph theory with different partitioning based on differential equations. Such equations are used for theoretical foundation of mathematical models but also for constructing numerical methods and computer algorithms. These models are studied with use of Green function method. In the paper first necessary theoretical information is included on Green function method for multi point boundary-value problems. The main equation is discussed, notions of multi-point boundary conditions, boundary functionals, degenerate and non-degenerate problems, fundamental matrix of solutions are introduced. In the main part the problem to study is formulated in terms of shocks and deformations in boundary conditions. After that the main results are formulated. In theorem 1 conditions for existence and uniqueness of solutions are proved. In theorem 2 conditions are proved for strict positivity and equal measureness for a pair of solutions. In theorem 3 existence and estimates are proved for the least eigenvalue, spectral properties and positivity of eigenfunctions. In theorem 4 the weighted positivity is proved for the Green function. Some possible applications are considered for a signal theory and transmutation operators.

Broken detailed balance and non-equilibrium dynamics in living systems: a review

Science.gov (United States)

Gnesotto, F. S.; Mura, F.; Gladrow, J.; Broedersz, C. P.

2018-06-01

Living systems operate far from thermodynamic equilibrium. Enzymatic activity can induce broken detailed balance at the molecular scale. This molecular scale breaking of detailed balance is crucial to achieve biological functions such as high-fidelity transcription and translation, sensing, adaptation, biochemical patterning, and force generation. While biological systems such as motor enzymes violate detailed balance at the molecular scale, it remains unclear how non-equilibrium dynamics manifests at the mesoscale in systems that are driven through the collective activity of many motors. Indeed, in several cellular systems the presence of non-equilibrium dynamics is not always evident at large scales. For example, in the cytoskeleton or in chromosomes one can observe stationary stochastic processes that appear at first glance thermally driven. This raises the question how non-equilibrium fluctuations can be discerned from thermal noise. We discuss approaches that have recently been developed to address this question, including methods based on measuring the extent to which the system violates the fluctuation-dissipation theorem. We also review applications of this approach to reconstituted cytoskeletal networks, the cytoplasm of living cells, and cell membranes. Furthermore, we discuss a more recent approach to detect actively driven dynamics, which is based on inferring broken detailed balance. This constitutes a non-invasive method that uses time-lapse microscopy data, and can be applied to a broad range of systems in cells and tissue. We discuss the ideas underlying this method and its application to several examples including flagella, primary cilia, and cytoskeletal networks. Finally, we briefly discuss recent developments in stochastic thermodynamics and non-equilibrium statistical mechanics, which offer new perspectives to understand the physics of living systems.

Broken detailed balance and non-equilibrium dynamics in living systems: a review.

Science.gov (United States)

Gnesotto, F S; Mura, F; Gladrow, J; Broedersz, C P

2018-03-05

Living systems operate far from thermodynamic equilibrium. Enzymatic activity can induce broken detailed balance at the molecular scale. This molecular scale breaking of detailed balance is crucial to achieve biological functions such as high-fidelity transcription and translation, sensing, adaptation, biochemical patterning, and force generation. While biological systems such as motor enzymes violate detailed balance at the molecular scale, it remains unclear how non-equilibrium dynamics manifests at the mesoscale in systems that are driven through the collective activity of many motors. Indeed, in several cellular systems the presence of non-equilibrium dynamics is not always evident at large scales. For example, in the cytoskeleton or in chromosomes one can observe stationary stochastic processes that appear at first glance thermally driven. This raises the question how non-equilibrium fluctuations can be discerned from thermal noise. We discuss approaches that have recently been developed to address this question, including methods based on measuring the extent to which the system violates the fluctuation-dissipation theorem. We also review applications of this approach to reconstituted cytoskeletal networks, the cytoplasm of living cells, and cell membranes. Furthermore, we discuss a more recent approach to detect actively driven dynamics, which is based on inferring broken detailed balance. This constitutes a non-invasive method that uses time-lapse microscopy data, and can be applied to a broad range of systems in cells and tissue. We discuss the ideas underlying this method and its application to several examples including flagella, primary cilia, and cytoskeletal networks. Finally, we briefly discuss recent developments in stochastic thermodynamics and non-equilibrium statistical mechanics, which offer new perspectives to understand the physics of living systems.

Nonequilibrium two-dimensional Ising model with stationary uphill diffusion

Science.gov (United States)

Colangeli, Matteo; Giardinà, Cristian; Giberti, Claudio; Vernia, Cecilia

2018-03-01

Usually, in a nonequilibrium setting, a current brings mass from the highest density regions to the lowest density ones. Although rare, the opposite phenomenon (known as "uphill diffusion") has also been observed in multicomponent systems, where it appears as an artificial effect of the interaction among components. We show here that uphill diffusion can be a substantial effect, i.e., it may occur even in single component systems as a consequence of some external work. To this aim we consider the two-dimensional ferromagnetic Ising model in contact with two reservoirs that fix, at the left and the right boundaries, magnetizations of the same magnitude but of opposite signs.We provide numerical evidence that a class of nonequilibrium steady states exists in which, by tuning the reservoir magnetizations, the current in the system changes from "downhill" to "uphill". Moreover, we also show that, in such nonequilibrium setup, the current vanishes when the reservoir magnetization attains a value approaching, in the large volume limit, the magnetization of the equilibrium dynamics, thus establishing a relation between equilibrium and nonequilibrium properties.

Green's functions of one-dimensional quasicrystal bi-material with piezoelectric effect

Energy Technology Data Exchange (ETDEWEB)

Zhang, Liangliang [College of Engineering, China Agricultural University, Beijing 100083 (China); Sinomatech Wind Power Blade Co., Ltd, Beijing 100092 (China); Wu, Di [College of Engineering, China Agricultural University, Beijing 100083 (China); Xu, Wenshuai [College of Science, China Agricultural University, Beijing 100083 (China); Yang, Lianzhi [Civil and Environmental Engineering School, University of Science and Technology Beijing, Beijing 100083 (China); Ricoeur, Andreas; Wang, Zhibin [Institute of Mechanics, University of Kassel, 34125 Kassel (Germany); Gao, Yang, E-mail: gaoyangg@gmail.com [College of Science, China Agricultural University, Beijing 100083 (China)

2016-09-16

Based on the Stroh formalism of one-dimensional quasicrystals with piezoelectric effect, the problems of an infinite plane composed of two different quasicrystal half-planes are taken into account. The solutions of the internal and interfacial Green's functions of quasicrystal bi-material are obtained. Moreover, numerical examples are analyzed for a quasicrystal bi-material subjected to line forces or line dislocations, showing the contour maps of the coupled fields. The impacts of changing material constants on the coupled field components are investigated. - Highlights: • Green's functions of 1D piezoelectric quasicrystal bi-material are studied. • The coupled fields subjected to line forces or line dislocations are obtained. • Mechanical behavior under the effect of different material constants is researched.

Deterministic thermostats, theories of nonequilibrium systems and parallels with the ergodic condition

International Nuclear Information System (INIS)

Jepps, Owen G; Rondoni, Lamberto

2010-01-01

Deterministic 'thermostats' are mathematical tools used to model nonequilibrium steady states of fluids. The resulting dynamical systems correctly represent the transport properties of these fluids and are easily simulated on modern computers. More recently, the connection between such thermostats and entropy production has been exploited in the development of nonequilibrium fluid theories. The purpose and limitations of deterministic thermostats are discussed in the context of irreversible thermodynamics and the development of theories of nonequilibrium phenomena. We draw parallels between the development of such nonequilibrium theories and the development of notions of ergodicity in equilibrium theories. (topical review)

Adaptation of light-harvesting functions of unicellular green algae to different light qualities.

Science.gov (United States)

Ueno, Yoshifumi; Aikawa, Shimpei; Kondo, Akihiko; Akimoto, Seiji

2018-05-28

Oxygenic photosynthetic organisms perform photosynthesis efficiently by distributing captured light energy to photosystems (PSs) at an appropriate balance. Maintaining photosynthetic efficiency under changing light conditions requires modification of light-harvesting and energy-transfer processes. In the current study, we examined how green algae regulate their light-harvesting functions in response to different light qualities. We measured low-temperature time-resolved fluorescence spectra of unicellular green algae Chlamydomonas reinhardtii and Chlorella variabilis cells grown under different light qualities. By observing the delayed fluorescence spectra, we demonstrated that both types of green algae primarily modified the associations between light-harvesting chlorophyll protein complexes (LHCs) and PSs (PSII and PSI). Under blue light, Chlamydomonas transferred more energy from LHC to chlorophyll (Chl) located far from the PSII reaction center, while energy was transferred from LHC to PSI via different energy-transfer pathways in Chlorella. Under green light, both green algae exhibited enhanced energy transfer from LHCs to both PSs. Red light induced fluorescence quenching within PSs in Chlamydomonas and LHCs in Chlorella. In Chlorella, energy transfer from PSII to PSI appears to play an important role in balancing excitation between PSII and PSI.

On the excess energy of nonequilibrium plasma

International Nuclear Information System (INIS)

Timofeev, A. V.

2012-01-01

The energy that can be released in plasma due to the onset of instability (the excess plasma energy) is estimated. Three potentially unstable plasma states are considered, namely, plasma with an anisotropic Maxwellian velocity distribution of plasma particles, plasma with a two-beam velocity distribution, and an inhomogeneous plasma in a magnetic field with a local Maxwellian velocity distribution. The excess energy can serve as a measure of the degree to which plasma is nonequilibrium. In particular, this quantity can be used to compare plasmas in different nonequilibrium states.

Magnetic field effects on the quantum wire energy spectrum and Green's function

International Nuclear Information System (INIS)

Morgenstern Horing, Norman J.

2010-01-01

We analyze the energy spectrum and propagation of electrons in a quantum wire on a 2D host medium in a normal magnetic field, representing the wire by a 1D Dirac delta function potential which would support just a single subband state in the absence of the magnetic field. The associated Schroedinger Green's function for the quantum wire is derived in closed form in terms of known functions and the Landau quantized subband energy spectrum is examined.

Nonequilibrium thermodynamics and fluctuation relations for small systems

International Nuclear Information System (INIS)

Cao Liang; Ke Pu; Qiao Li-Yan; Zheng Zhi-Gang

2014-01-01

In this review, we give a retrospect of the recent progress in nonequilibrium statistical mechanics and thermodynamics in small dynamical systems. For systems with only a few number of particles, fluctuations and nonlinearity become significant and contribute to the nonequilibrium behaviors of the systems, hence the statistical properties and thermodynamics should be carefully studied. We review recent developments of this topic by starting from the Gallavotti—Cohen fluctuation theorem, and then to the Evans—Searles transient fluctuation theorem, Jarzynski free-energy equality, and the Crooks fluctuation relation. We also investigate the nonequilibrium free energy theorem for trajectories involving changes of the heat bath temperature and propose a generalized free-energy relation. It should be noticed that the non-Markovian property of the heat bath may lead to the violation of the free-energy relation. (topical review - statistical physics and complex systems)

Nonequilibrium Microscopic Distribution of Thermal Current in Particle Systems

KAUST Repository

Yukawa, Satoshi

2009-02-15

A nonequilibrium distribution function of microscopic thermal current is studied by a direct numerical simulation in a thermal conducting steady state of particle systems. Two characteristic temperatures of the thermal current are investigated on the basis of the distribution. It is confirmed that the temperature depends on the current direction; Parallel temperature to the heat-flux is higher than antiparallel one. The difference between the parallel temperature and the antiparallel one is proportional to a macroscopic temperature gradient. ©2009 The Physical Society of Japan.

Nonequilibrium Microscopic Distribution of Thermal Current in Particle Systems

KAUST Repository

Yukawa, Satoshi; Shimada, Takashi; Ogushi, Fumiko; Ito, Nobuyasu

2009-01-01

A nonequilibrium distribution function of microscopic thermal current is studied by a direct numerical simulation in a thermal conducting steady state of particle systems. Two characteristic temperatures of the thermal current are investigated on the basis of the distribution. It is confirmed that the temperature depends on the current direction; Parallel temperature to the heat-flux is higher than antiparallel one. The difference between the parallel temperature and the antiparallel one is proportional to a macroscopic temperature gradient. ©2009 The Physical Society of Japan.

Experimental study of nonequilibrium post-chf heat transfer in rod bundles

International Nuclear Information System (INIS)

Unal, C.; Tuzla, K.; Badr, O.; Neti, S.; Chen, J.

1986-01-01

Verifications and improvements of nonequilibrium heat transfer models, for post-critical-heat-flux convective boiling, has been greatly affected by the lack of experimental data regarding the degree of thermodynamic nonequilibrium. Recent studies had been successful in measuring vapor superheats in a vertical single tube. This paper extends the nonequilibrium convective boiling data to a rod bundle geometry. Vapor superheat measurements were obtained in a rod bundle with nine heated rods and a heated shroud. Tests were carried out with water at low mass fluxes with a wide range of dryout conditions. Significant nonequilibrium was observed, with vapor superheats of up to 600 0 C. Parametric effects of mass flux, heat flux and inlet conditions on vapor superheat are presented

About sign-constancy of Green's functions for impulsive second order delay equations

Directory of Open Access Journals (Sweden)

Alexander Domoshnitsky

2014-01-01

Full Text Available We consider the following second order differential equation with delay \\[\\begin{cases} (Lx(t\\equiv{x''(t+\\sum_{j=1}^p {b_{j}(tx(t-\\theta_{j}(t}}=f(t, \\quad t\\in[0,\\omega],\\\\ x(t_j=\\gamma_{j}x(t_j-0, x'(t_j=\\delta_{j}x'(t_j-0, \\quad j=1,2,\\ldots,r. \\end{cases}\\] In this paper we find necessary and sufficient conditions of positivity of Green's functions for this impulsive equation coupled with one or two-point boundary conditions in the form of theorems about differential inequalities. By choosing the test function in these theorems, we obtain simple sufficient conditions. For example, the inequality \\(\\sum_{i=1}^p{b_i(t\\left(\\frac{1}{4}+r\\right}\\lt \\frac{2}{\\omega^2}\\ is a basic one, implying negativity of Green's function of two-point problem for this impulsive equation in the case \\(0\\lt \\gamma_i\\leq{1}\\, \\(0\\lt \\delta_i\\leq{1}\\ for \\(i=1,\\ldots ,p\\.

A two-temperature chemical non-equilibrium modeling of DC arc plasma

International Nuclear Information System (INIS)

Qian Haiyang; Wu Bin

2011-01-01

To a better understanding of non-equilibrium characteristics of DC arc plasma,a two-dimensional axisymmetric two-temperature chemical non-equilibrium (2T-NCE) model is applied for direct current arc argon plasma generator with water-cooled constrictor at atmospheric pressure. The results show that the electron temperature and heavy particle temperature has a relationship under different working parameters, indicating that DC arc plasma has a strong non-equilibrium characteristic, and the variation is obvious. (authors)

Green's function for a neutral particle of spin 1/2 in a magnetic field; Funcoes de Green para uma particula neutra de spin 1/2 num campo magnetico

Energy Technology Data Exchange (ETDEWEB)

Rodrigues, Rafael de Lima [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Vaidya, Arvind Narayan [Universidade Federal, Rio de Janeiro, RJ (Brazil). Inst. de Fisica

2001-12-01

Using the spectral theorema in context of Green's function in momentum space of neutrons in the magnetic field of a linear conductor with current the bound state energy spectrum and eigenfunctions are deduced. It's also pointed out that this problem present a new scenary of Green's function in non-relativistic quantum mechanics. (author)

Nonequilibrium states of high tc YBCO superconductors under tunnel injection of quasiparticles

International Nuclear Information System (INIS)

Iguchi, I.; Wang, Q.; Lee, K.; Yoshida, K.

1995-01-01

The nonequilibrium states of high Tc superconductors are investigated by means of tunnel injection of quasiparticles using Pb(or Au)/MgO/YBCO tunnel junctions. The effective critical-current reduction due to tunnel injection is observed, whose behaviour is different from simple heating. The observed results suggest that the resultant nonequilibrium states may also differ from those described by conventional nonequilibrium models

Nonequilibrium quantum fluctuations of work.

Science.gov (United States)

Allahverdyan, A E

2014-09-01

The concept of work is basic for statistical thermodynamics. To gain a fuller understanding of work and its (quantum) features, it needs to be represented as an average of a fluctuating quantity. Here I focus on the work done between two moments of time for a thermally isolated quantum system driven by a time-dependent Hamiltonian. I formulate two natural conditions needed for the fluctuating work to be physically meaningful for a system that starts its evolution from a nonequilibrium state. The existing definitions do not satisfy these conditions due to issues that are traced back to noncommutativity. I propose a definition of fluctuating work that is free of previous drawbacks and that applies for a wide class of nonequilibrium initial states. It allows the deduction of a generalized work-fluctuation theorem that applies for an arbitrary (out-of-equilibrium) initial state.

Off-Shell Green Functions: One-Loop with Growing Legs

International Nuclear Information System (INIS)

Bashir, A.; Concha-Sanchez, Y.; Delbourgo, R.; Tejeda-Yeomans, M. E.

2008-01-01

One loop calculations in gauge theories in arbitrary gauge and dimensions become exceedingly hard with growing number of external off-shell legs. Let alone higher point functions, such a calculation for even the three point one-loop vertices for quantum electrodynamics (QED) and quantum chromodynamics (QCD) has been made available only recently. In this article, we discuss how Ward-Fradkin-Green-Takahashi identities (WFGTI) may provide a helpful tool in these computations. After providing a glimpse of our suggestion for the case of the 3-point vertex, we present our preliminary findings towards our similar efforts for the 4-point function. We restrict ourselves to the example of scalar quantum electrodynamics (SQED)

Computation of Green function of the Schroedinger-like partial differential equations by the numerical functional integration

International Nuclear Information System (INIS)

Lobanov, Yu.Yu.; Shahbagian, R.R.; Zhidkov, E.P.

1991-01-01

A new method for numerical solution of the boundary problem for Schroedinger-like partial differential equations in R n is elaborated. The method is based on representation of multidimensional Green function in the form of multiple functional integral and on the use of approximation formulas which are constructed for such integrals. The convergence of approximations to the exact value is proved, the remainder of the formulas is estimated. Method reduces the initial differential problem to quadratures. 16 refs.; 7 tabs

Wall ablation of heated compound-materials into non-equilibrium discharge plasmas

Science.gov (United States)

Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing

2017-02-01

The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results

A line source in Minkowski for the de Sitter spacetime scalar Green's function: Massless minimally coupled case

International Nuclear Information System (INIS)

Chu, Yi-Zen

2014-01-01

Motivated by the desire to understand the causal structure of physical signals produced in curved spacetimes – particularly around black holes – we show how, for certain classes of geometries, one might obtain its retarded or advanced minimally coupled massless scalar Green's function by using the corresponding Green's functions in the higher dimensional Minkowski spacetime where it is embedded. Analogous statements hold for certain classes of curved Riemannian spaces, with positive definite metrics, which may be embedded in higher dimensional Euclidean spaces. The general formula is applied to (d ≥ 2)-dimensional de Sitter spacetime, and the scalar Green's function is demonstrated to be sourced by a line emanating infinitesimally close to the origin of the ambient (d + 1)-dimensional Minkowski spacetime and piercing orthogonally through the de Sitter hyperboloids of all finite sizes. This method does not require solving the de Sitter wave equation directly. Only the zero mode solution to an ordinary differential equation, the “wave equation” perpendicular to the hyperboloid – followed by a one-dimensional integral – needs to be evaluated. A topological obstruction to the general construction is also discussed by utilizing it to derive a generalized Green's function of the Laplacian on the (d ≥ 2)-dimensional sphere

Green Functions For Multiple Scattering As Mathematical Tools For Dense Cloud Remote Sensing: Theory, With Passive And Active Applications

International Nuclear Information System (INIS)

Davis, A.B.; Marshak, A.; Cahalan, R.F.

2001-01-01

We survey radiative Green function theory (1) in linear transport theory where numerical procedures are required to obtain specific results and (2) in the photon diffusion limit (large optical depths) where it is analytically tractable, at least for homogeneous plane-parallel media. We then describe two recent applications of Green function theory to passive cloud remote sensing in the presence of strong three-dimensional transport effects. Finally, we describe recent instrumental breakthroughs in 'off-beam' cloud lidar which is based on direct measurements of radiative Green functions with special attention to the data collected during the Shuttle-based Lidar In-space Technology Experiment (LITE) mission.

Green Functions for the Radial Electric Component of the Monopole Wake Field in a Round Resistive Chamber

International Nuclear Information System (INIS)

Zimmermann, Frank

1998-01-01

We compare different approximations to the point-charge Green function for the radial electric monopole field excited by an ultrarelativistic particle propagating through a resistive pipe, and study the applicability of these approximations for calculating the field of a bunch with finite length. It has been speculated that the exact form of the electric field could be important for simulations of the electron-cloud instability. In this paper, we show, however, that the usual approximation of the Green function by a delta function is adequate, except for extremely short bunch lengths

A theoretical approach to dynamical diffraction of X-rays in the Bragg case with the Green's function method

International Nuclear Information System (INIS)

Ishida, Hidenobu

2015-01-01

The dynamical diffraction theory of X-rays for a distorted crystal with the Green's function method is applied to the Bragg case. The transmitted and diffracted crystal waves are represented as the solutions of the integral equations using the Green's function. For a perfect crystal, the most exact form of the solution of the equations is given by the Green's function and its derivatives, and the waves are analytically expressed by using them. The results can be applied in a general case where the amplitude modulation of the incident wave is not negligibly small compared with the wave vector. If the amplitude modulation is small, those results are reduced essentially to the same as those given by Takagi's theory. (author)

Genus one super-Green function revisited and superstring amplitudes with non-maximal supersymmetry

International Nuclear Information System (INIS)

Itoyama, H.; Yano, Kohei

2016-01-01

We reexamine genus one super-Green functions with general boundary conditions twisted by (α,β) for (σ,τ) directions in the eigenmode expansion and derive expressions as infinite series of hypergeometric functions. Using these, we compute one-loop superstring amplitudes with non-maximal supersymmetry, taking the example of massless vector emissions of open string type I Z 2 orbifold

Energy level alignment and quantum conductance of functionalized metal-molecule junctions

DEFF Research Database (Denmark)

Jin, Chengjun; Strange, Mikkel; Markussen, Troels

2013-01-01

We study the effect of functional groups (CH3*4, OCH3, CH3, Cl, CN, F*4) on the electronic transport properties of 1,4-benzenediamine molecular junctions using the non-equilibrium Green function method. Exchange and correlation effects are included at various levels of theory, namely density...... functional theory (DFT), energy level-corrected DFT (DFT+Σ), Hartree-Fock and the many-body GW approximation. All methods reproduce the expected trends for the energy of the frontier orbitals according to the electron donating or withdrawing character of the substituent group. However, only the GW method...... predicts the correct ordering of the conductance amongst the molecules. The absolute GW (DFT) conductance is within a factor of two (three) of the experimental values. Correcting the DFT orbital energies by a simple physically motivated scissors operator, Σ, can bring the DFT conductances close...

Nonequilibrium dynamics of moving mirrors in quantum fields: Influence functional and the Langevin equation

International Nuclear Information System (INIS)

Wu, C.-H.; Lee, D.-S.

2005-01-01

We employ the Schwinger-Keldysh formalism to study the nonequilibrium dynamics of the mirror with perfect reflection moving in a quantum field. In the case where the mirror undergoes the small displacement, the coarse-grained effective action is obtained by integrating out the quantum field with the method of influence functional. The semiclassical Langevin equation is derived, and is found to involve two levels of backreaction effects on the dynamics of mirrors: radiation reaction induced by the motion of the mirror and backreaction dissipation arising from fluctuations in quantum field via a fluctuation-dissipation relation. Although the corresponding theorem of fluctuation and dissipation for the case with the small mirror's displacement is of model independence, the study from the first principles derivation shows that the theorem is also independent of the regulators introduced to deal with short-distance divergences from the quantum field. Thus, when the method of regularization is introduced to compute the dissipation and fluctuation effects, this theorem must be fulfilled as the results are obtained by taking the short-distance limit in the end of calculations. The backreaction effects from vacuum fluctuations on moving mirrors are found to be hardly detected while those effects from thermal fluctuations may be detectable

Cumulants in perturbation expansions for non-equilibrium field theory

International Nuclear Information System (INIS)

Fauser, R.

1995-11-01

The formulation of perturbation expansions for a quantum field theory of strongly interacting systems in a general non-equilibrium state is discussed. Non-vanishing initial correlations are included in the formulation of the perturbation expansion in terms of cumulants. The cumulants are shown to be the suitable candidate for summing up the perturbation expansion. Also a linked-cluster theorem for the perturbation series with cumulants is presented. Finally a generating functional of the perturbation series with initial correlations is studied. We apply the methods to a simple model of a fermion-boson system. (orig.)

Consequences of Molecular-Scale Non-Equilibrium Activity on the Dynamics and Mechanics of Self-Assembled Actin-Based Structures and Materials

Science.gov (United States)

Marshall Mccall, Patrick

Living cells are hierarchically self-organized forms of active soft matter: molecules on the nanometer scale form functional structures and organelles on the micron scale, which then compose cells on the scale of 10s of microns. While the biological functions of intracellular organelles are defined by the composition and properties of the structures themselves, how those bulk properties emerge from the properties and interactions of individual molecules remains poorly understood. Actin, a globular protein which self-assembles into dynamic semi-flexible polymers, is the basic structural material of cells and the major component of many functional organelles. In this thesis, I have used purified actin as a model system to explore the interplay between molecular-scale dynamics and organelle-scale functionality, with particular focus on the role of molecular-scale non-equilibrium activity. One of the most canonical forms of molecular-scale non-equilibrium activity is that of mechanoenzymes, also called motor proteins. These proteins utilized the free energy liberated by hydrolysis of ATP to perform mechanical work, thereby introducing non-equilibrium "active" stresses on the molecular scale. Combining experiments with mathematical modeling, we demonstrate in this thesis that non-equilibrium motor activity is sufficient to drive self-organization and pattern formation of the multimeric actin-binding motor protein Myosin II on 1D reconstituted actomyosin bundles. Like myosin, actin is itself an ATPase. However, nono-equilibrium ATP hydrolysis on actin is known to regulate the stability and assembly kinetics of actin filaments rather than generate active stresses per se. At the level of single actin filaments, the inhomogeneous nucleotide composition generated along the filament length by hydrolysis directs binding of regulatory proteins like cofilin, which mediate filament disassembly and thereby accelerate actin filament turnover. The concequences of this non-equilibrium

Modelling Thomson scattering for systems with non-equilibrium electron distributions

Directory of Open Access Journals (Sweden)

Chapman D.A.

2013-11-01

Full Text Available We investigate the effect of non-equilibrium electron distributions in the analysis of Thomson scattering for a range of conditions of interest to inertial confinement fusion experiments. Firstly, a generalised one-component model based on quantum statistical theory is given in the random phase approximation (RPA. The Chihara expression for electron-ion plasmas is then adapted to include the new non-equilibrium electron physics. The theoretical scattering spectra for both diffuse and dense plasmas in which non-equilibrium electron distributions are expected to arise are considered. We find that such distributions strongly influence the spectra and are hence an important consideration for accurately determining the plasma conditions.

Non-equilibrium plasma chemistry at high pressure and its applications

International Nuclear Information System (INIS)

Bai Xiyao; Zhang Zhitao; Bai Mindong; Zhu Qiaoying

2000-01-01

A review is presented of research and development of gas discharge and non-equilibrium plasma including, new ideas of non-equilibrium plasma at high gas pressure. With special technology, strong electric fields (>400 Td) can be achieved by which electrons are accelerated suddenly, becoming high energy electrons (> 10 eV) at high pressure. On impact with the electrons, the gas molecules dissociate into ions, atomic ions, atoms and free radicals, and new substances or molecules can be synthesized through custom design. Chemical reaction difficult to achieve by conventional method can be realized or accelerated. Non-equilibrium plasma chemistry at high pressure has wide application prospects

The Role of Stakeholders Related to the Management of Ecological Function of Urban Green Open Space. Case Study: City of Depok, Indonesia

Science.gov (United States)

Mangopa Malik, Andy Anton

2017-12-01

Urban green open space is one of the assets that provide substantial benefits to the urban community. One important function of urban green open space is a function of ecology. This study will provide initial explanation on the various studies related to the ecological function of urban green open space. The study of urban space management approach related to ecological function will explain the extent of the role of stakeholders in the urban areas that will further strengthen the importance of the existence of green open space, especially in city of Depok. With so many problems related to the supply and use of green open space in the city of Depok. This approach was originally applied by the private sector and many applications made a great contribution, so it began to be used by the government in managing public assets there. This study will use descriptive method, at the beginning of the study will explain the existence of the reality of urban green open space as part of the urban space by viewing it from theoretical overview of space, function and role of the various problems that occur in it. The results of this study indicate there are six problems in the management of green open spaces in city of Depok. Using the stages in asset management will provide space for participation of existing stakeholders in the management of green open spaces in city of Depok.

Evolution and non-equilibrium physics

DEFF Research Database (Denmark)

Becker, Nikolaj; Sibani, Paolo

2014-01-01

We argue that the stochastic dynamics of interacting agents which replicate, mutate and die constitutes a non-equilibrium physical process akin to aging in complex materials. Specifically, our study uses extensive computer simulations of the Tangled Nature Model (TNM) of biological evolution...

Limiting processes in non-equilibrium classical statistical mechanics

International Nuclear Information System (INIS)

Jancel, R.

1983-01-01

After a recall of the basic principles of the statistical mechanics, the results of ergodic theory, the transient at the thermodynamic limit and his link with the transport theory near the equilibrium are analyzed. The fundamental problems put by the description of non-equilibrium macroscopic systems are investigated and the kinetic methods are stated. The problems of the non-equilibrium statistical mechanics are analyzed: irreversibility and coarse-graining, macroscopic variables and kinetic description, autonomous reduced descriptions, limit processes, BBGKY hierarchy, limit theorems [fr

Nonequilibrium work relation in a macroscopic system

International Nuclear Information System (INIS)

Sughiyama, Yuki; Ohzeki, Masayuki

2013-01-01

We reconsider a well-known relationship between the fluctuation theorem and the second law of thermodynamics by evaluating stochastic evolution of the density field (probability measure valued process). In order to establish a bridge between microscopic and macroscopic behaviors, we must take the thermodynamic limit of a stochastic dynamical system following the standard procedure in statistical mechanics. The thermodynamic path characterizing a dynamical behavior in the macroscopic scale can be formulated as an infimum of the action functional for the stochastic evolution of the density field. In our formulation, the second law of thermodynamics can be derived only by symmetry of the action functional without recourse to the Jarzynski equality. Our formulation leads to a nontrivial nonequilibrium work relation for metastable (quasi-stationary) states, which are peculiar in the macroscopic system. We propose a prescription for computing the free energy for metastable states based on the resultant work relation. (paper)

Source analysis using regional empirical Green's functions: The 2008 Wells, Nevada, earthquake

Science.gov (United States)

Mendoza, C.; Hartzell, S.

2009-01-01

We invert three-component, regional broadband waveforms recorded for the 21 February 2008 Wells, Nevada, earthquake using a finite-fault methodology that prescribes subfault responses using eight MW∼4 aftershocks as empirical Green's functions (EGFs) distributed within a 20-km by 21.6-km fault area. The inversion identifies a seismic moment of 6.2 x 1024 dyne-cm (5.8 MW) with slip concentrated in a compact 6.5-km by 4-km region updip from the hypocenter. The peak slip within this localized area is 88 cm and the stress drop is 72 bars, which is higher than expected for Basin and Range normal faults in the western United States. The EGF approach yields excellent fits to the complex regional waveforms, accounting for strong variations in wave propagation and site effects. This suggests that the procedure is useful for studying moderate-size earthquakes with limited teleseismic or strong-motion data and for examining uncertainties in slip models obtained using theoretical Green's functions.

Nonequilibrium temperatures and second-sound propagation along nanowires and thin layers

International Nuclear Information System (INIS)

Jou, D.; Cimmelli, V.A.; Sellitto, A.

2009-01-01

It is shown that the dispersion relation of heat waves along nanowires or thin layers could allow to compare two different definitions of nonequilibrium temperature, since thermal waves are predicted to propagate with different phase speed depending on the definition of nonequilibrium temperature being used. The difference is small, but it could be in principle measurable in nanosystems, as for instance nanowires and thin layers, in a given frequency range. Such an experiment could provide a deeper view on the problem of the definition of temperature in nonequilibrium situations.

Inviscid flux-splitting algorithms for real gases with non-equilibrium chemistry

Science.gov (United States)

Shuen, Jian-Shun; Liou, Meng-Sing; Van Leer, Bram

1990-01-01

Formulations of inviscid flux splitting algorithms for chemical nonequilibrium gases are presented. A chemical system for air dissociation and recombination is described. Numerical results for one-dimensional shock tube and nozzle flows of air in chemical nonequilibrium are examined.