International Nuclear Information System (INIS)
Nagler, S.E.
1989-01-01
We report on the progress of our project entitled ''X-ray Scattering Studies of Non-Equilibrium Ordering Processes.'' In-house time-resolved x-ray scattering has been used to investigate ordering kinetics in single crystal thin films of Cu 3 Au. Scaling analysis of the results shows that two dimensional kinetic behavior is observed in 260 /angstrom/ thick films. Significant improvements have been made in the local capabilities for fast time resolved measurements and data analysis. Measurements of microphase separation and ordering kinetics have been made in block-co-polymers, and experiments on Au-Cd martensitic material are continuing. 15 refs., 7 figs
Energy Technology Data Exchange (ETDEWEB)
Swinney, H.L.
1992-10-01
We have used dynamical systems methods to study and characterize bifurcations and pattern formation in a variety of nonequilibrium systems. In this paper we describe our work on dynamical systems, chemical oscillations and chaos, chemical spatial patterns, instabilities in fluid dynamics, electrodeposition clusters, the ballast resistor, and crack propagation.
INTRODUCTION: Nonequilibrium Processes in Plasmas
Petrović, Zoran; Marić, Dragana; Malović, Gordana
2009-07-01
This book aims to give a cross section from a wide range of phenomena that, to different degrees, fall under the heading of non-equilibrium phenomenology. The selection is, of course, biased by the interests of the members of the scientific committee and of the FP6 Project 026328 IPB-CNP Reinforcing Experimental Centre for Non-equilibrium Studies with Application in Nano-technologies, Etching of Integrated Circuits and Environmental Research. Some of the papers included here are texts based on selected lectures presented at the Second International Workshop on Non-equilibrium Processes in Plasmas and Environmental Science. However, this volume is not just the proceedings of that conference as it contains a number of papers from authors that did not attend the conference. The goal was to put together a volume that would cover the interests of the project and support further work. It is published in the Institute of Physics journal Journal of Physics: Conference Series to ensure a wide accessibility of the articles. The texts presented here range from in-depth reviews of the current status and past achievements to progress reports of currently developed experimental devices and recently obtained still unpublished results. All papers have been refereed twice, first when speakers were selected based on their reputation and recently published results, and second after the paper was submitted both by the editorial board and individual assigned referees according to the standards of the conference and of the journal. Nevertheless, we still leave the responsibility (and honours) for the contents of the papers to the authors. The papers in this book are review articles that give a summary of the already published work or present the work in progress that will be published in full at a later date (or both). In the introduction to the first volume, in order to show how far reaching, ubiquitous and important non-equilibrium phenomena are, we claimed that ever since the early
Computer simulation of nonequilibrium processes
International Nuclear Information System (INIS)
Wallace, D.C.
1985-07-01
The underlying concepts of nonequilibrium statistical mechanics, and of irreversible thermodynamics, will be described. The question at hand is then, how are these concepts to be realize in computer simulations of many-particle systems. The answer will be given for dissipative deformation processes in solids, on three hierarchical levels: heterogeneous plastic flow, dislocation dynamics, an molecular dynamics. Aplication to the shock process will be discussed
Statistical thermodynamics of nonequilibrium processes
Keizer, Joel
1987-01-01
The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and...
X-ray scattering studies of non-equilibrium ordering processes
International Nuclear Information System (INIS)
Nagler, S.E.
1990-01-01
We report on the progress of our project entitled ''X-ray Scattering of Non-Equilibrium Ordering Processes.'' During the past year we have made the first synchrotron measurements of ordering in Cu 3 Au have revealed the presence of an intermediate, non-equilibrium ordered state. Preliminary work involving x-ray magnetic scattering has been carried out. Work is continuing in these areas as well as on related problems. 5 refs
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
Effects of vacancies on overshooting in nonequilibrium ordering processes
DEFF Research Database (Denmark)
Gilhøj, Henriette; Jeppesen, Claus; Mouritsen, Ole G.
1996-01-01
The effects of annealed site dilution on the nonequilibrium ordering process in the two-dimensional Ising model with a nonconserved order parameter have been studied using Monte Carlo simulation. It is found that the transient development of a local order that is larger than the equilibrium order...
Non-equilibrium quasiparticle processes in superconductor tunneling structures
International Nuclear Information System (INIS)
Perold, W.J.
1990-01-01
A broad overview is presented of the phenomenon of superconductivity. The tunneling of quasiparticles in superconducter-insulator structures is described. Related non-equilibrium processes, such as superconductor bandgap suppresion, quasiparticle diffusion and recombination, and excess quasiparticle collection are discussed. The processes are illustrated with numerical computer simulation data. The importance of the inter-relationship between these processes in practical multiple tunneling junction superconducting device structures is also emphasized. 14 refs., 8 figs
Non-equilibrium plasma reactor for natrual gas processing
International Nuclear Information System (INIS)
Shair, F.H.; Ravimohan, A.L.
1974-01-01
A non-equilibrium plasma reactor for natural gas processing into ethane and ethylene comprising means of producing a non-equilibrium chemical plasma wherein selective conversion of the methane in natural gas to desired products of ethane and ethylene at a pre-determined ethane/ethylene ratio in the chemical process may be intimately controlled and optimized at a high electrical power efficiency rate by mixing with a recycling gas inert to the chemical process such as argon, helium, or hydrogen, reducing the residence time of the methane in the chemical plasma, selecting the gas pressure in the chemical plasma from a wide range of pressures, and utilizing pulsed electrical discharge producing the chemical plasma. (author)
Linear response in the nonequilibrium zero range process
International Nuclear Information System (INIS)
Maes, Christian; Salazar, Alberto
2014-01-01
We explore a number of explicit response formulæ around the boundary driven zero range process to changes in the exit and entrance rates. In such a nonequilibrium regime kinetic (and not only thermodynamic) aspects make a difference in the response. Apart from a number of formal approaches, we illustrate a general decomposition of the linear response into entropic and frenetic contributions, the latter being realized from changes in the dynamical activity at the boundaries. In particular in this way one obtains nonlinear modifications to the Green–Kubo relation. We end by bringing some general remarks about the situation where that nonequilibrium response remains given by the (equilibrium) Kubo formula such as for the density profile in the boundary driven Lorentz gas
Free energy surfaces from nonequilibrium processes without work measurement
Adib, Artur B.
2006-04-01
Recent developments in statistical mechanics have allowed the estimation of equilibrium free energies from the statistics of work measurements during processes that drive the system out of equilibrium. Here a different class of processes is considered, wherein the system is prepared and released from a nonequilibrium state, and no external work is involved during its observation. For such "clamp-and-release" processes, a simple strategy for the estimation of equilibrium free energies is offered. The method is illustrated with numerical simulations and analyzed in the context of tethered single-molecule experiments.
X-ray scattering studies of non-equilibrium ordering processes
International Nuclear Information System (INIS)
Nagler, S.E.
1991-01-01
We report on the progress of the project entitled ''X-ray Scattering Studies of Non-Equilibrium Ordering Processes.'' The past year has seen continued progress in the study of kinetic effects in metallic binary alloys and polymers. In addition, work has begun on a low dimensional CDW system: blue bronze. A sample chamber has been constructed to perform small angle neutron scattering measurements on a model quantum system with phase separation: solid He3/He4. Work is continuing on magnetic systems. Planned future experiments include an investigation of crystallization in Rubidium
Nonequilibrium photochemical reactions induced by lasers. Technical progress report
International Nuclear Information System (INIS)
Steinfeld, J.I.
1978-04-01
Research has progressed in six principal subject areas of interest to DOE advanced (laser) isotope separation efforts. These are (1) Infrared double resonance spectroscopy of molecules excited by multiple infrared photon absorption, particularly SF 6 and vinyl chloride. (2) Infrared multiphoton excitation of metastable triplet-state molecules, e.g., biacetyl. (3) An Information Theory analysis of multiphoton excitation and collisional deactivation has been carried out. (4) The mechanism of infrared energy deposition and multiphoton-induced reactions in chlorinated ethylene derivatives; and RRKM (statistical) model accounts for all observed behavior of the system, and a deuterium-specific reaction pathway has been identified. (5) Diffusion-enhanced laser isotope separation in N 16 O/N 18 O. (6) A technical evaluation of laser-induced chemistry and isotope separation
Nonequilibrium synthesis of Nb-Al alloys by laser processing
International Nuclear Information System (INIS)
Tewari, S.K.; Mazumder, J.
1993-01-01
The technique of laser surface modification provides a unique means of synthesizing novel nonequilibrium materials in near net shape. Claddings of several NbAl 3 alloys with Ti, B and Hf as a ternary alloy addition were prepared using a CW CO 2 laser. Isothermal oxidation behavior of the clads were examined in air. Oxidation tests at 800, 1,200 and 1,400 C. Alternating layers of alumina and NbAlO 4 were not observed in any of the samples as reported in literature for conventionally processed NbAl 3 oxidized under similar conditions. The parabolic rate constants for all the alloys, except 0 B, were comparable to that for isothermal oxidation of β-NiAl, at 1,200 and 1,400 C in 0.1 atm oxygen, which is a known alumina former. Ternary alloying additions for improved oxidation resistance at 1,400 C accompanied with improved ductility were identified
International Nuclear Information System (INIS)
Swinney, H.L.
1988-09-01
Dynamical systems methods are being developed and used to characterize nonequilibrium processes and to address outstanding unresolved questions regarding bifurcations and chaos, especially in reaction-diffusion systems. An information-theoretic property, the mutual information, is being examined as a means for detecting and quantifying spatiotemporal chaos. A recent analysis has shown that information on dynamics deduced from noisy data can be used to reduce the noise in those data. These tools from dynamical systems and information theory are being applied to data obtained in laboratory experiments on homogeneous systems and on extended systems. A novel unstirred chemical reactor has been designed for studies of the development and evolution of chemical spatial patterns, and experiments with this reactor have yielded the first sustained chemical spatial patterns in a controlled laboratory environment. These laboratory experiments and numerical and analytic studies of models should provide general insights into spatiotemporal patterns in nonequilibrium systems. 14 refs
Progress in Non-equilibrium Green's Functions (PNGF VI)
International Nuclear Information System (INIS)
2016-01-01
The sixth interdisciplinary conference 'Progress in Non-equilibrium Green's Functions' (PNGF6) took place at Lund University, Sweden, on 17-21 August 2015. The conference was attended by 60 scientists, from Europe and overseas, sharing an interest in Green's function methods and/or non-equilibrium phenomena. At the conference, 34 invited and contributed talks were given, together with a poster session with 17 contributions. As its predecessors (Rostock 1999, Dresden 2002, Kiel 2005, Glasgow 2009, Jyväskylä 2012) did, the conference succeeded in gathering different communities for the exchange of recent developments and results. Among the topics of the conference, we mention approaches for strongly correlated systems, improvements of existing perturbative many-body schemes, electron-phonon/-photon interactions in time-dependent treatments, numerical scalability of NEGF approaches, connections with other non-equilibrium methods and concrete physical applications. For the latter, we mention quantum transport, semiconductor kinetics, multiply excited states in atoms and ions, nuclear reactions, high energy physics, quantum cascade lasers, strongly correlated model systems, graphene-nanostructures, optoelectronics, superconductors, spin-dynamics, photovoltaics, excitations in atoms and ions and time-resolved spectroscopy. The present volume contains 20 articles from participants of PNGF6, devoted to these topics. Compared to previous conferences, a completely novel and successful aspect of PNGF6 was the participation of experimentalists among the invited speakers, to establish a connection between emerging experimental techniques (for example, time-dependent spectroscopies) and the theoretical NEGF community. As at the previous PNGF conferences, the atmosphere was friendly and exciting at the same time, favoring vivid and stimulating discussions among experienced scientists, young researchers and students. The conference would not have been
Coalescent Processes with Skewed Offspring Distributions and Nonequilibrium Demography.
Matuszewski, Sebastian; Hildebrandt, Marcel E; Achaz, Guillaume; Jensen, Jeffrey D
2018-01-01
Nonequilibrium demography impacts coalescent genealogies leaving detectable, well-studied signatures of variation. However, similar genomic footprints are also expected under models of large reproductive skew, posing a serious problem when trying to make inference. Furthermore, current approaches consider only one of the two processes at a time, neglecting any genomic signal that could arise from their simultaneous effects, preventing the possibility of jointly inferring parameters relating to both offspring distribution and population history. Here, we develop an extended Moran model with exponential population growth, and demonstrate that the underlying ancestral process converges to a time-inhomogeneous psi-coalescent. However, by applying a nonlinear change of time scale-analogous to the Kingman coalescent-we find that the ancestral process can be rescaled to its time-homogeneous analog, allowing the process to be simulated quickly and efficiently. Furthermore, we derive analytical expressions for the expected site-frequency spectrum under the time-inhomogeneous psi-coalescent, and develop an approximate-likelihood framework for the joint estimation of the coalescent and growth parameters. By means of extensive simulation, we demonstrate that both can be estimated accurately from whole-genome data. In addition, not accounting for demography can lead to serious biases in the inferred coalescent model, with broad implications for genomic studies ranging from ecology to conservation biology. Finally, we use our method to analyze sequence data from Japanese sardine populations, and find evidence of high variation in individual reproductive success, but few signs of a recent demographic expansion. Copyright © 2018 by the Genetics Society of America.
D.C.-arc plasma generator for nonequilibrium plasmachemical processes
International Nuclear Information System (INIS)
Kvaltin, J.
1990-06-01
The analysis is made of the conditions for generation of nonequilibrium plasma in a plasmachemical reactor, and the design is described of a d.c. arc plasma generator based on the integral criterion. Results of measuring potentials on the plasma column of this generator are presented. (author)
Complex temporal and spatial patterns in nonequilibrium processes
International Nuclear Information System (INIS)
Swinney, H.L.
1992-01-01
We have used dynamical systems methods to study and characterize bifurcations and pattern formation in a variety of nonequilibrium systems. In this paper we describe our work on dynamical systems, chemical oscillations and chaos, chemical spatial patterns, instabilities in fluid dynamics, electrodeposition clusters, the ballast resistor, and crack propagation
Applications of non-equilibrium plasma in chemical processes
International Nuclear Information System (INIS)
Patino, P.; Castro, A.
2003-01-01
By means of optical emission spectroscopy the population of O( 3 P) in a non-equilibrium, high voltage, oxygen plasma, and O( 3 P), H and OH in another of steam in radio frequency, have been followed. Reactions of both plasmas with liquid hydrocarbons have produced oxidation and/or hydrogenation, depending on the conditions of each one. (Author)
Black hole evaporation in a heat bath as a nonequilibrium process and its final fate
International Nuclear Information System (INIS)
Saida, Hiromi
2007-01-01
We consider a black hole in a heat bath, and the whole system which consists of the black hole and the heat bath is isolated from outside environments. When the black hole evaporates, the Hawking radiation causes an energy flow from the black hole to the heat bath. Therefore, since no energy flow arises in an equilibrium state, the thermodynamic state of the whole system is not in equilibrium. That is, in a region around the black hole, the matter field of Hawking radiation and that of heat bath should be in a nonequilibrium state due to the energy flow. Using a simple model which reflects the nonequilibrium nature of energy flow, we find the nonequilibrium effect on a black hole evaporation as follows: if the nonequilibrium region around a black hole is not so large, the evaporation time scale of a black hole in a heat bath becomes longer than that in an empty space (a situation without heat bath), because of the incoming energy flow from the heat bath to the black hole. However, if the nonequilibrium region around a black hole is sufficiently large, the evaporation time scale in a heat bath becomes shorter than that in an empty space, because a nonequilibrium effect of the temperature difference between the black hole and heat bath appears as a strong energy extraction from the black hole by the heat bath. Further, a specific nonequilibrium phenomenon is found: a quasi-equilibrium evaporation stage under the nonequilibrium effect proceeds abruptly to a quantum evaporation stage at a semi-classical level (at black hole radius R g > Planck length) within a very short time scale with a strong burst of energy. (Contrarily, when the nonequilibrium effect is not taken into account, a quasi-equilibrium stage proceeds smoothly to a quantum stage at R g < Planck length without so strong an energy burst.) That is, the nonequilibrium effect of energy flow tends to make a black hole evaporation process more dynamical and to accelerate that process. Finally, on the final fate
Complex temporal and spatial patterns in nonequilibrium processes
International Nuclear Information System (INIS)
1992-01-01
Dynamical systems methods have been used to study bifurcations and pattern formation in nonequilibrium systems. Accomplishments during this period include: information-theoretic methods for analyzing chaos, chemical reactors for studying sustained reaction-diffusion patterns, a reactor exploiting pattern formation to extract short- lived intermediate species, observation of bifurcation from periodic to quasiperiodic rotating chemical spiral patterns, observation of a Turing bifurcation (transition from uniform state to a stationary chemical pattern), method for extracting noise strength in ramped convection, self-similar fractal structure of Zn clusters in electrodeposition, and dynamical instability in crack propagation
Petrović, Z. Lj; Malović, G.; Tasić, M.; Nikitović, Ž.
2007-06-01
This volume is a collection of papers associated with a series of invited lectures presented at the First Workshop on Nonequilibrium processes in Plasma Physics and studies of Environment that was held at Mt Kopaonik in August 2006. The workshop originated as a part of the FP6 COE 026328 which had the basic aim of promoting centers of excellence in Western Balkan countries, to facilitate dissemination of their results and to help them establish themselves in the broader arena of European and international science. So the best way to achieve all those goals was to prepare a workshop associated with the local conference SPIG (Symposium on Physics of Ionized Gases) where the participants could attend sessions in which the host Laboratory presented progress reports and papers and thereby gain a full perspective of our results. At the same time this allowed participants in the COE the opportunity to compare their results with the results of external speakers and to gain new perspectives and knowledge. The program of the workshop was augmented by inviting some of our colleagues who visited the COE in recent years or have an active collaboration with a participating member. In that respect this volume is not only a proceedings of the workshop but a collection of papers related to the topic of the workshop: Non-equilibrium phenomena in plasmas and in the science of our environment. The idea is to offer review articles either summarizing a broader area of published or about to be published work or to give overviews showing preliminary results of the works in progress. The refereeing of the papers consisted of two parts, first in selection of the invitees and second in checking the submitted manuscripts. The papers were refereed to the standard of the Journal. As the program of the COE covers a wide area of topics from application of plasmas in nano- electronics to monitoring and removal of pollutants in the atmosphere, so the program of the workshop covered an even broader
Emergence of a fluctuation relation for heat in nonequilibrium Landauer processes
Taranto, Philip; Modi, Kavan; Pollock, Felix A.
2018-05-01
In a generalized framework for the Landauer erasure protocol, we study bounds on the heat dissipated in typical nonequilibrium quantum processes. In contrast to thermodynamic processes, quantum fluctuations are not suppressed in the nonequilibrium regime and cannot be ignored, making such processes difficult to understand and treat. Here we derive an emergent fluctuation relation that virtually guarantees the average heat produced to be dissipated into the reservoir either when the system or reservoir is large (or both) or when the temperature is high. The implication of our result is that for nonequilibrium processes, heat fluctuations away from its average value are suppressed independently of the underlying dynamics exponentially quickly in the dimension of the larger subsystem and linearly in the inverse temperature. We achieve these results by generalizing a concentration of measure relation for subsystem states to the case where the global state is mixed.
Progressing batch hydrolysis process
Wright, J.D.
1985-01-10
A progressive batch hydrolysis process is disclosed for producing sugar from a lignocellulosic feedstock. It comprises passing a stream of dilute acid serially through a plurality of percolation hydrolysis reactors charged with feed stock, at a flow rate, temperature and pressure sufficient to substantially convert all the cellulose component of the feed stock to glucose. The cooled dilute acid stream containing glucose, after exiting the last percolation hydrolysis reactor, serially fed through a plurality of pre-hydrolysis percolation reactors, charged with said feedstock, at a flow rate, temperature and pressure sufficient to substantially convert all the hemicellulose component of said feedstock to glucose. The dilute acid stream containing glucose is cooled after it exits the last prehydrolysis reactor.
Applications of nonequilibrium melting concept to damage-accumulation processes
International Nuclear Information System (INIS)
Lam, N.Q.; Okamoto, P.R.
1998-01-01
The authors recent study of crystalline-to-amorphous transformation led to the successful development of a unified thermodynamic description of disorder-induced amorphization and heat-induced melting, based on a generalized version of the Lindemann melting criterion. The generalized criterion requires that the melting temperature of a defective crystal decreases with increasing static atomic disorder. Hence, any crystal can melt at temperatures below the melting point of its perfect crystalline state when driven far from equilibrium by introducing critical amounts of misfitting solute atoms and lattice imperfections, radiation damage, and/or tensile stresses. This conceptual approach to nonequilibrium melting provides new insight into long-standing materials problems such as brittle fracture, embrittlement, and environmentally-induced cracking, for example irradiation-assisted stress corrosion cracking
Non-equilibrium condensation process in holographic superconductor with nonlinear electrodynamics
Energy Technology Data Exchange (ETDEWEB)
Liu, Yunqi; Gong, Yungui [School of Physics, Huazhong University of Science and Technology,Wuhan, Hubei 430074 (China); Wang, Bin [IFSA Collaborative Innovation Center, Department of Physics and Astronomy, Shanghai Jiao Tong University,Shanghai 200240 (China)
2016-02-17
We study the non-equilibrium condensation process in a holographic superconductor with nonlinear corrections to the U(1) gauge field. We start with an asymptotic Anti-de-Sitter(AdS) black hole against a complex scalar perturbation at the initial time, and solve the dynamics of the gravitational systems in the bulk. When the black hole temperature T is smaller than a critical value T{sub c}, the scalar perturbation grows exponentially till saturation, the final state of spacetime approaches to a hairy black hole. In the bulk theory, we find the clue of the influence of nonlinear corrections in the gauge filed on the process of the scalar field condensation. We show that the bulk dynamics in the non-equilibrium process is completely consistent with the observations on the boundary order parameter. Furthermore we examine the time evolution of horizons in the bulk non-equilibrium transformation process from the bald AdS black hole to the AdS hairy hole. Both the evolution of apparent and event horizons show that the original AdS black hole configuration requires more time to finish the transformation to become a hairy black hole if there is nonlinear correction to the electromagnetic field. We generalize our non-equilibrium discussions to the holographic entanglement entropy and find that the holographic entanglement entropy can give us further understanding of the influence of the nonlinearity in the gauge field on the scalar condensation.
Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes
Nagnibeda, Ekaterina; Nagnibeda, Ekaterina
2009-01-01
This volume develops the kinetic theory of transport phenomena and relaxation processes in the flows of reacting gas mixtures. The theory is applied to the modeling of non-equilibrium flows behind strong shock waves, in the boundary layer, and in nozzles.
Demirel, Yasar
2014-01-01
Natural phenomena consist of simultaneously occurring transport processes and chemical reactions. These processes may interact with each other and may lead to self-organized structures, fluctuations, instabilities, and evolutionary systems. Nonequilibrium Thermodynamics, 3rd edition emphasizes the unifying role of thermodynamics in analyzing the natural phenomena. This third edition updates and expands on the first and second editions by focusing on the general balance equations for coupled processes of physical, chemical, and biological systems. The new edition contains a new chapte
Continuum model of non-equilibrium solvation and solvent effect on ultra-fast processes
International Nuclear Information System (INIS)
Li Xiangyuan; Fu Kexiang; Zhu Quan
2006-01-01
In the past 50 years, non-equilibrium solvation theory for ultra-fast processes such as electron transfer and light absorption/emission has attracted particular interest. A great deal of research efforts was made in this area and various models which give reasonable qualitative descriptions for such as solvent reorganization energy in electron transfer and spectral shift in solution, were developed within the framework of continuous medium theory. In a series of publications by the authors, we clarified that the expression of the non-equilibrium electrostatic free energy that is at the dominant position of non-equilibrium solvation and serves as the basis of various models, however, was incorrectly formulated. In this work, the authors argue that reversible charging work integration was inappropriately applied in the past to an irreversible path linking the equilibrium or the non-equilibrium state. Because the step from the equilibrium state to the nonequilibrium state is factually thermodynamically irreversible, the conventional expression for non-equilibrium free energy that was deduced in different ways is unreasonable. Here the authors derive the non-equilibrium free energy to a quite different form according to Jackson integral formula. Such a difference throws doubts to the models including the famous Marcus two-sphere model for solvent reorganization energy of electron transfer and the Lippert-Mataga equation for spectral shift. By introducing the concept of 'spring energy' arising from medium polarizations, the energy constitution of the non-equilibrium state is highlighted. For a solute-solvent system, the authors separate the total electrostatic energy into different components: the self-energies of solute charge and polarized charge, the interaction energy between them and the 'spring energy' of the solvent polarization. With detailed reasoning and derivation, our formula for non-equilibrium free energy can be reached through different ways. Based on the
Rydalevskaya, Maria A.; Voroshilova, Yulia N.
2018-05-01
Vibrationally non-equilibrium flows of chemically homogeneous diatomic gases are considered under the conditions that the distribution of the molecules over vibrational levels differs significantly from the Boltzmann distribution. In such flows, molecular collisions can be divided into two groups: the first group corresponds to "rapid" microscopic processes whereas the second one corresponds to "slow" microscopic processes (their rate is comparable to or larger than that of gasdynamic parameters variation). The collisions of the first group form quasi-stationary vibrationally non-equilibrium distribution functions. The model kinetic equations are used to study the transport processes under these conditions. In these equations, the BGK-type approximation is used to model only the collision operators of the first group. It allows us to simplify derivation of the transport fluxes and calculation of the kinetic coefficients. Special attention is given to the connection between the formulae for the bulk viscosity coefficient and the sound velocity square.
Non-equilibrium phase transition in a spreading process on a timeline
International Nuclear Information System (INIS)
Barato, Andre C; Hinrichsen, Haye
2009-01-01
We consider a non-equilibrium process on a timeline with discrete sites which evolves following a non-Markovian update rule in such a way that an active site at time t activates one or several sites in the future at time t+Δt. The time intervals Δt are distributed algebraically as (Δt) −1−κ , where 0<κ<1 is a control parameter. Depending on the activation rate, the system displays a non-equilibrium phase transition which may be interpreted as directed percolation transition driven by temporal Lévy flights in the limit of zero space dimensions. The critical properties are investigated by means of extensive numerical simulations and compared with field-theoretic predictions
Free jet as an object of nonequilibrium processes investigation
International Nuclear Information System (INIS)
Rebrov, A.K.
1985-01-01
The investigation of energy exchange in jets is of particular interest not only because of statement of physical problems on the dynamics of relaxation processes; technological application of expansion of a uniform gas and heterogeneous media into vacuum are variable. They are such as jet vacuum pumps, gas fans, gaseous accelerators of heavy molecules and clusters, gas dynamical sources of various vehicles, jet technological devices, gas dynamical lasers, etc. The improvement of these techniques will require the development of analytical and numerical methods for jets with a minimum limitation of physical content
Radicals and Non-Equilibrium Processes in Low-Temperature Plasmas
Petrović, Zoran; Mason, Nigel; Hamaguchi, Satoshi; Radmilović-Radjenović, Marija
2007-06-01
This volume is a selection from papers presented at the 5th EU - Japan Symposium. Unfortunately not all of the authors invited to prepare a review could finalize their papers in time for publication. Thus this book displays only a part of what has been enjoyed by the audience during the conference and what was expected to be in the book. On the other hand it provides the possibility to view some of the issues in greater detail and a chance for those who attended the meeting to revisit some of the presentations and discussion. The particular value of this symposia series is the opportunity for participants to discuss the issues confronting modern plasma physics and evolve a collaborative strategy to address these issues. The resulting synergism from having the leading researchers in this field all in the same room unfortunately could not be captured in this book but will certainly be reflected in the results presented at future symposia. The 29 invited lectures and 4 progress reports (with the addition of 10 posters) presented at the conference came from 12 different countries from 4 continents. A similar distribution is maintained in the 21 articles in this book. All the papers presented here have been refereed according to the standards of the conference and the journal, first by selecting the renowned invited speakers and selecting the topics of their presentations and later on by reviewing the articles. However we still leave the responsibility (and honors) for the contents of the papers to the authors. The papers in this book are review articles giving a summary of the already published work or presenting the work in progress that will be published in full at a later date (or both). The EU - Japan Symposia were initiated in 2003 and have been held in Japan and in Europe (so far only in European countries starting with the letter `S': Sweden, Slovakia, Serbia). The 5th EU - Japan Joint Symposium on Plasma Processing was organized in Belgrade, 6-9 March at the
Nonlinear closure relations theory for transport processes in nonequilibrium systems
International Nuclear Information System (INIS)
Sonnino, Giorgio
2009-01-01
A decade ago, a macroscopic theory for closure relations has been proposed for systems out of Onsager's region. This theory is referred to as the thermodynamic field theory (TFT). The aim of this work was to determine the nonlinear flux-force relations that respect the thermodynamic theorems for systems far from equilibrium. We propose a formulation of the TFT where one of the basic restrictions, namely, the closed-form solution for the skew-symmetric piece of the transport coefficients, has been removed. In addition, the general covariance principle is replaced by the De Donder-Prigogine thermodynamic covariance principle (TCP). The introduction of TCP requires the application of an appropriate mathematical formalism, which is referred to as the entropy-covariant formalism. By geometrical arguments, we prove the validity of the Glansdorff-Prigogine universal criterion of evolution. A new set of closure equations determining the nonlinear corrections to the linear ('Onsager') transport coefficients is also derived. The geometry of the thermodynamic space is non-Riemannian. However, it tends to be Riemannian for high values of the entropy production. In this limit, we recover the transport equations found by the old theory. Applications of our approach to transport in magnetically confined plasmas, materials submitted to temperature, and electric potential gradients or to unimolecular triangular chemical reactions can be found at references cited herein. Transport processes in tokamak plasmas are of particular interest. In this case, even in the absence of turbulence, the state of the plasma remains close to (but, it is not in) a state of local equilibrium. This prevents the transport relations from being linear.
International Nuclear Information System (INIS)
Prigogine, I.
1987-01-01
This report briefly discusses progress on the following topics: state selection dynamics; polymerization under nonequilibrium conditions; inhomogeneous fluctuations in hydrodynamics and in completely mixed reactors; homoclinic bifurcations and mixed-mode oscillations; intrinsic randomness and spontaneous symmetry breaking in explosive systems; and microscopic means of irreversibility
SDE decomposition and A-type stochastic interpretation in nonequilibrium processes
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.
Energy Technology Data Exchange (ETDEWEB)
Starik, A.M.; Lebedev, A.B.; Titova, N.S. [Central Inst. of Aviation Motors, Moscow (Russian Federation)
1997-12-31
On the basic of quasi one dimensional mixing model the numerical analysis of nonequilibrium chemical processes in the plume of subsonic and hypersonic aircraft is presented. It was found that species HNO, HNO{sub 3}, HNO{sub 4}, N{sub 2}O{sub 5}, ClO{sub 2}, CH{sub 3}NO{sub 2} could be formed as a result of nonequilibrium processes in the plume and their concentrations can essentially exceed both background values in free stream of atmosphere and their values at the nozzle exit plane. (author) 10 refs.
Energy Technology Data Exchange (ETDEWEB)
Starik, A M; Lebedev, A B; Titova, N S [Central Inst. of Aviation Motors, Moscow (Russian Federation)
1998-12-31
On the basic of quasi one dimensional mixing model the numerical analysis of nonequilibrium chemical processes in the plume of subsonic and hypersonic aircraft is presented. It was found that species HNO, HNO{sub 3}, HNO{sub 4}, N{sub 2}O{sub 5}, ClO{sub 2}, CH{sub 3}NO{sub 2} could be formed as a result of nonequilibrium processes in the plume and their concentrations can essentially exceed both background values in free stream of atmosphere and their values at the nozzle exit plane. (author) 10 refs.
Tanaka, Shigenori
2016-03-07
A computational scheme to describe the temporal evolution of thermodynamic functions in stochastic nonequilibrium processes of isothermal classical systems is proposed on the basis of overdamped Langevin equation under given potential and temperature. In this scheme the associated Fokker-Planck-Smoluchowski equation for the probability density function is transformed into the imaginary-time Schrödinger equation with an effective Hamiltonian. The propagator for the time-dependent wave function is expressed in the framework of the path integral formalism, which can thus represent the dynamical behaviors of nonequilibrium molecular systems such as those conformational changes observed in protein folding and ligand docking. The present study then employs the diffusion Monte Carlo method to efficiently simulate the relaxation dynamics of wave function in terms of random walker distribution, which in the long-time limit reduces to the ground-state eigenfunction corresponding to the equilibrium Boltzmann distribution. Utilizing this classical-quantum correspondence, we can describe the relaxation processes of thermodynamic functions as an approach to the equilibrium state with the lowest free energy. Performing illustrative calculations for some prototypical model potentials, the temporal evolutions of enthalpy, entropy, and free energy of the classical systems are explicitly demonstrated. When the walkers initially start from a localized configuration in one- or two-dimensional harmonic or double well potential, the increase of entropy usually dominates the relaxation dynamics toward the equilibrium state. However, when they start from a broadened initial distribution or go into a steep valley of potential, the dynamics are driven by the decrease of enthalpy, thus causing the decrease of entropy associated with the spatial localization. In the cases of one- and two-dimensional asymmetric double well potentials with two minimal points and an energy barrier between them
Information Geometry of Non-Equilibrium Processes in a Bistable System with a Cubic Damping
Directory of Open Access Journals (Sweden)
Rainer Hollerbach
2017-06-01
Full Text Available A probabilistic description is essential for understanding the dynamics of stochastic systems far from equilibrium, given uncertainty inherent in the systems. To compare different Probability Density Functions (PDFs, it is extremely useful to quantify the difference among different PDFs by assigning an appropriate metric to probability such that the distance increases with the difference between the two PDFs. This metric structure then provides a key link between stochastic systems and information geometry. For a non-equilibrium process, we define an infinitesimal distance at any time by comparing two PDFs at times infinitesimally apart and sum these distances in time. The total distance along the trajectory of the system quantifies the total number of different states that the system undergoes in time and is called the information length. By using this concept, we investigate the information geometry of non-equilibrium processes involved in disorder-order transitions between the critical and subcritical states in a bistable system. Specifically, we compute time-dependent PDFs, information length, the rate of change in information length, entropy change and Fisher information in disorder-to-order and order-to-disorder transitions and discuss similarities and disparities between the two transitions. In particular, we show that the total information length in order-to-disorder transition is much larger than that in disorder-to-order transition and elucidate the link to the drastically different evolution of entropy in both transitions. We also provide the comparison of the results with those in the case of the transition between the subcritical and supercritical states and discuss implications for fitness.
Directory of Open Access Journals (Sweden)
J. G. Dyke
2011-06-01
Full Text Available Life has significantly altered the Earth's atmosphere, oceans and crust. To what extent has it also affected interior geological processes? To address this question, three models of geological processes are formulated: mantle convection, continental crust uplift and erosion and oceanic crust recycling. These processes are characterised as non-equilibrium thermodynamic systems. Their states of disequilibrium are maintained by the power generated from the dissipation of energy from the interior of the Earth. Altering the thickness of continental crust via weathering and erosion affects the upper mantle temperature which leads to changes in rates of oceanic crust recycling and consequently rates of outgassing of carbon dioxide into the atmosphere. Estimates for the power generated by various elements in the Earth system are shown. This includes, inter alia, surface life generation of 264 TW of power, much greater than those of geological processes such as mantle convection at 12 TW. This high power results from life's ability to harvest energy directly from the sun. Life need only utilise a small fraction of the generated free chemical energy for geochemical transformations at the surface, such as affecting rates of weathering and erosion of continental rocks, in order to affect interior, geological processes. Consequently when assessing the effects of life on Earth, and potentially any planet with a significant biosphere, dynamical models may be required that better capture the coupled nature of biologically-mediated surface and interior processes.
Definition of Nonequilibrium Entropy of General Systems
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.
Non-equilibrium thermodynamics of radiation-induced processes in solids
International Nuclear Information System (INIS)
Yurov, V.M.; Eshchanov, A.N.; Kuketaev, A.T.; Sidorenya, Yu.S.
2005-01-01
In the paper an item about a defect system response in solids on external action (temperature, pressure, light, etc.) from the point of view of non-equilibrium statistical thermodynamics is considered
Ogorodnikov, I N; Isaenko, L I; Zinin, E I; Kruzhalov, A V
2000-01-01
The paper presents the results of a study of the LiB sub 3 O sub 5 and Li sub 2 B sub 4 O sub 7 crystals by the use of the luminescent spectroscopy with the sub-nanosecond time resolution under excitation of the high-power synchrotron radiation. The commonness in the origin of the non-equilibrium processes in these crystals as well as the observed differences in the luminescence manifestations is discussed.
Energy Technology Data Exchange (ETDEWEB)
Ogorodnikov, I.N. E-mail: ogo@dpt.ustu.ru; Pustovarov, V.A.; Isaenko, L.I.; Zinin, E.I.; Kruzhalov, A.V
2000-06-21
The paper presents the results of a study of the LiB{sub 3}O{sub 5} and Li{sub 2}B{sub 4}O{sub 7} crystals by the use of the luminescent spectroscopy with the sub-nanosecond time resolution under excitation of the high-power synchrotron radiation. The commonness in the origin of the non-equilibrium processes in these crystals as well as the observed differences in the luminescence manifestations is discussed.
Theoretical investigation of nonequilibrium processes in shock wave in bubbly liquid
Bityurin, V. A.; Velikodnyi, V. Yu.; Bykov, A. A.
The effects related to a translational nonequilibrium at the shock wave front in a bubbly liquid flow with volume gas contents within 0.3 a parts per thousand currency sign phi a parts per thousand currency sign 0.98 have been theoretically studied. Analytical expressions for the longitudinal and
de Oliveira, Luciana Renata; Bazzani, Armando; Giampieri, Enrico; Castellani, Gastone C
2014-08-14
We propose a non-equilibrium thermodynamical description in terms of the Chemical Master Equation (CME) to characterize the dynamics of a chemical cycle chain reaction among m different species. These systems can be closed or open for energy and molecules exchange with the environment, which determines how they relax to the stationary state. Closed systems reach an equilibrium state (characterized by the detailed balance condition (D.B.)), while open systems will reach a non-equilibrium steady state (NESS). The principal difference between D.B. and NESS is due to the presence of chemical fluxes. In the D.B. condition the fluxes are absent while for the NESS case, the chemical fluxes are necessary for the state maintaining. All the biological systems are characterized by their "far from equilibrium behavior," hence the NESS is a good candidate for a realistic description of the dynamical and thermodynamical properties of living organisms. In this work we consider a CME written in terms of a discrete Kolmogorov forward equation, which lead us to write explicitly the non-equilibrium chemical fluxes. For systems in NESS, we show that there is a non-conservative "external vector field" whose is linearly proportional to the chemical fluxes. We also demonstrate that the modulation of these external fields does not change their stationary distributions, which ensure us to study the same system and outline the differences in the system's behavior when it switches from the D.B. regime to NESS. We were interested to see how the non-equilibrium fluxes influence the relaxation process during the reaching of the stationary distribution. By performing analytical and numerical analysis, our central result is that the presence of the non-equilibrium chemical fluxes reduces the characteristic relaxation time with respect to the D.B. condition. Within a biochemical and biological perspective, this result can be related to the "plasticity property" of biological systems and to their
International Nuclear Information System (INIS)
Oliveira, Luciana Renata de; Bazzani, Armando; Giampieri, Enrico; Castellani, Gastone C.
2014-01-01
We propose a non-equilibrium thermodynamical description in terms of the Chemical Master Equation (CME) to characterize the dynamics of a chemical cycle chain reaction among m different species. These systems can be closed or open for energy and molecules exchange with the environment, which determines how they relax to the stationary state. Closed systems reach an equilibrium state (characterized by the detailed balance condition (D.B.)), while open systems will reach a non-equilibrium steady state (NESS). The principal difference between D.B. and NESS is due to the presence of chemical fluxes. In the D.B. condition the fluxes are absent while for the NESS case, the chemical fluxes are necessary for the state maintaining. All the biological systems are characterized by their “far from equilibrium behavior,” hence the NESS is a good candidate for a realistic description of the dynamical and thermodynamical properties of living organisms. In this work we consider a CME written in terms of a discrete Kolmogorov forward equation, which lead us to write explicitly the non-equilibrium chemical fluxes. For systems in NESS, we show that there is a non-conservative “external vector field” whose is linearly proportional to the chemical fluxes. We also demonstrate that the modulation of these external fields does not change their stationary distributions, which ensure us to study the same system and outline the differences in the system's behavior when it switches from the D.B. regime to NESS. We were interested to see how the non-equilibrium fluxes influence the relaxation process during the reaching of the stationary distribution. By performing analytical and numerical analysis, our central result is that the presence of the non-equilibrium chemical fluxes reduces the characteristic relaxation time with respect to the D.B. condition. Within a biochemical and biological perspective, this result can be related to the “plasticity property” of biological
Temperature control in molecular dynamic simulations of non-equilibrium processes
International Nuclear Information System (INIS)
Toton, Dawid; Lorenz, Christian D; Rompotis, Nikolaos; Martsinovich, Natalia; Kantorovich, Lev
2010-01-01
Thermostats are often used in various condensed matter problems, e.g. when a biological molecule undergoes a transformation in a solution, a crystal surface is irradiated with energetic particles, a crack propagates in a solid upon applied stress, two surfaces slide with respect to each other, an excited local phonon dissipates its energy into a crystal bulk, and so on. In all of these problems, as well as in many others, there is an energy transfer between different local parts of the entire system kept at a constant temperature. Very often, when modelling such processes using molecular dynamics simulations, thermostatting is done using strictly equilibrium approaches serving to describe the NVT ensemble. In this paper we critically discuss the applicability of such approaches to non-equilibrium problems, including those mentioned above, and stress that the correct temperature control can only be achieved if the method is based on the generalized Langevin equation (GLE). Specifically, we emphasize that a meaningful compromise between computational efficiency and a physically appropriate implementation of the NVT thermostat can be achieved, at least for solid state and surface problems, if the so-called stochastic boundary conditions (SBC), recently derived from the GLE (Kantorovich and Rompotis 2008 Phys. Rev. B 78 094305), are used. For SBC, the Langevin thermostat is only applied to the outer part of the simulated fragment of the entire system which borders the surrounding environment (not considered explicitly) serving as a heat bath. This point is illustrated by comparing the performance of the SBC and some of the equilibrium thermostats in two problems: (i) irradiation of the Si(001) surface with an energetic CaF 2 molecule using an ab initio density functional theory based method, and (ii) the tribology of two amorphous SiO 2 surfaces coated with self-assembled monolayers of methyl-terminated hydrocarbon alkoxylsilane molecules using a classical atomistic
Rodrigues, Clóves G.; Silva, Antônio A. P.; Silva, Carlos A. B.; Vasconcellos, Áurea R.; Ramos, J. Galvão; Luzzi, Roberto
2010-01-01
The nowadays notable development of all the modern technology, fundamental for the progress and well being of world society, imposes a great deal of stress in the realm of basic Physics, more precisely on Thermo-Statistics. We do face situations in electronics and optoelectronics involving physical-chemical systems far-removed-from equilibrium, where ultrafast (in pico- and femto-second scale) and non-linear processes are present. Further, we need to be aware of the rapid unfolding of nano-te...
Energy Technology Data Exchange (ETDEWEB)
1992-12-31
Dynamical systems methods have been used to study bifurcations and pattern formation in nonequilibrium systems. Accomplishments during this period include: information-theoretic methods for analyzing chaos, chemical reactors for studying sustained reaction-diffusion patterns, a reactor exploiting pattern formation to extract short- lived intermediate species, observation of bifurcation from periodic to quasiperiodic rotating chemical spiral patterns, observation of a Turing bifurcation (transition from uniform state to a stationary chemical pattern), method for extracting noise strength in ramped convection, self-similar fractal structure of Zn clusters in electrodeposition, and dynamical instability in crack propagation.
International Nuclear Information System (INIS)
Komatsu, Nobuyoshi; Kiwata, Takahiro; Kimura, Shigeo
2010-01-01
To clarify the nonequilibrium processes of self-gravitating systems, we examine a system enclosed in a spherical container with reflecting walls, by N-body simulations. To simulate nonequilibrium processes, we consider loss of energy through the reflecting wall, i.e., a particle reflected at a non-adiabatic wall is cooled to mimic energy loss. We also consider quasi-equilibrium structures of stellar polytropes to compare with the nonequilibrium process, where the quasi-equilibrium structure is obtained from an extremum-state of Tsallis' entropy. Consequently, we numerically show that, with increasing cooling rates, the dependence of the temperature on energy, i.e., the ε-T curve, varies from that of microcanonical ensembles (or isothermal spheres) to a common curve. The common curve appearing in the nonequilibrium process agrees well with an ε-T curve for a quasi-equilibrium structure of the stellar polytrope, especially for the polytrope index n ∼ 5. In fact, for n > 5, the stellar polytrope within an adiabatic wall exhibits gravothermal instability [Taruya, Sakagami, Physica A, 322 (2003) 285]. The present study indicates that the stellar polytrope with n ∼ 5 likely plays an important role in quasi-attractors of the nonequilibrium process in self-gravitating systems with non-adiabatic walls.
Nonequilibrium thermodynamics of nucleation
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
Mechanochemically driven nonequilibrium processes in MNH2-CaH2 systems (M = Li or Na)
International Nuclear Information System (INIS)
Dolotko, Oleksandr; Zhang Haiqiao; Li Sa; Jena, Puru; Pecharsky, Vitalij
2010-01-01
Mechanochemical transformations of lithium and sodium amides with calcium hydride have been investigated using gas volumetric analysis, X-ray powder diffraction, and residual gas analysis. The overall mechanochemical transformations are equimolar, and they proceed as the following solid state reaction: MNH 2 + CaH 2 → CaNH + MH + H 2 , where M = Li or Na. The transformation kinetics of the lithium containing system is markedly faster compared to the system with sodium. The difference in the rates of solid state transformations, and therefore, in hydrogen release kinetics can be explained by difference in mobility of lithium and sodium atoms. Total energies and enthalpies of formation for different reaction products during the dehydrogenation of CaH 2 -MNH 2 mixtures were calculated using density functional theory. Compared to thermochemical transformations, which proceed in accordance with thermodynamic equilibrium, reactions induced by mechanical energy drive the MNH 2 -CaH 2 systems to nonequilibrium configurations with different final products.
Relations between dissipated work in non-equilibrium process and the family of Rényi divergences
International Nuclear Information System (INIS)
Wei, Bo-Bo; Plenio, M B
2017-01-01
In this paper, we establish a general relation which directly links the dissipated work done on a system driven arbitrarily far from equilibrium, a fundamental quantity in thermodynamics, and the family of Rényi divergences between two states along the forward and reversed dynamics, a fundamental concept in information theory. Specifically, we find that the generating function of the dissipated work under an arbitrary time-dependent driving is related to the family of Rényi divergences between a non-equilibrium state along the forward process and a non-equilibrium state along its time-reversed process. This relation is a consequence of the principle of conservation of information and time reversal symmetry and is universally applicable to both finite classical system and finite quantum system under arbitrary driving process. The significance of the relation between the generating function of dissipated work and the family of Rényi divergences are two fold. On the one hand, the relation establishes that the macroscopic entropy production and its fluctuations are determined by the family of Rényi divergences, a measure of distinguishability of two states, between a microscopic process and its time reversal. On the other hand, this relation tells us that we can extract the family of Renyi divergences from the work measurement in a microscopic process. For classical systems the work measurement is straightforward, from which the family of Rényi divergences can be obtained; for quantum systems under time-dependent driving the characteristic function of work distributions can be measured from Ramsey interferences of a single spin, then we can extract the family of Renyi divergences from Ramsey interferences of a single spin. (paper)
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.
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.
Kusaba, Akira; Li, Guanchen; von Spakovsky, Michael R; Kangawa, Yoshihiro; Kakimoto, Koichi
2017-08-15
Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and N ad -H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework that can predict the behavior of non-equilibrium processes, even those far from equilibrium where the state evolution is a combination of reversible and irreversible dynamics. SEAQT is an ideal choice to handle this problem on a first-principles basis since the chemical adsorption process starts from a highly non-equilibrium state. A result of the analysis shows that the probability of adsorption on 3Ga-H is significantly higher than that on N ad -H + Ga-H. Additionally, the growth temperature dependence of these adsorption probabilities and the temperature increase due to the heat of reaction is determined. The non-equilibrium thermodynamic modeling applied can lead to better control of the MOVPE process through the selection of preferable reconstructed surfaces. The modeling also demonstrates the efficacy of DFT-SEAQT coupling for determining detailed non-equilibrium process characteristics with a much smaller computational burden than would be entailed with mechanics-based, microscopic-mesoscopic approaches.
Non-equilibrium processes in p + Ag collisions at GeV energies
Fidelus, M.; Filges, D.; Goldenbaum, F.; Jarczyk, L.; Kamys, B.; Kistryn, M.; Kistryn, St.; Kozik, E.; Kulessa, P.; Machner, H.; Magiera, A.; Piskor-Ignatowicz, B.; Pysz, K.; Rudy, Z.; Sharma, Sushil K.; Siudak, R.; Wojciechowski, M.; PISA Collaboration
2017-12-01
The double differential spectra d2σ /d Ω d E of p , d , t , 3,4,6He, 6,7,8,9Li, 7,9,10Be, and 10,11,12B were measured at seven scattering angles, 15.6∘, 20∘, 35∘, 50∘, 65∘, 80∘, and 100∘, in the laboratory system for proton induced reactions on a silver target. Measurements were done for three proton energies: 1.2, 1.9, and 2.5 GeV. The experimental data were compared to calculations performed by means of two-step theoretical microscopic models. The first step of the reaction was described by the intranuclear cascade model incl4.6 and the second one by four different models (ABLA07, GEM2, gemini++, and SMM) using their standard parameter settings. Systematic deviations of the data from predictions of the models were observed. The deviations were especially large for the forward scattering angles and for the kinetic energy of emitted particles in the range from about 50 to 150 MeV. This suggests that some important non-equilibrium mechanism is lacking in the present day microscopic models of proton-nucleus collisions in the studied beam energy range.
Non-Equilibrium Plasma Processing for the Preparation of Antibacterial Surfaces
Directory of Open Access Journals (Sweden)
Eloisa Sardella
2016-06-01
Full Text Available Non-equilibrium plasmas offer several strategies for developing antibacterial surfaces that are able to repel and/or to kill bacteria. Due to the variety of devices, implants, and materials in general, as well as of bacteria and applications, plasma assisted antibacterial strategies need to be tailored to each specific surface. Nano-composite coatings containing inorganic (metals and metal oxides or organic (drugs and biomolecules compounds can be deposited in one step, and used as drug delivery systems. On the other hand, functional coatings can be plasma-deposited and used to bind antibacterial molecules, for synthesizing surfaces with long lasting antibacterial activity. In addition, non-fouling coatings can be produced to inhibit the adhesion of bacteria and reduce the formation of biofilm. This paper reviews plasma-based strategies aimed to reduce bacterial attachment and proliferation on biomedical materials and devices, but also onto materials used in other fields. Most of the activities described have been developed in the lab of the authors.
International Nuclear Information System (INIS)
Saida, Hiromi
2006-01-01
When a black hole is in an empty space in which there is no matter field except that of the Hawking radiation (Hawking field), then the black hole evaporates and the entropy of the black hole decreases. The generalized second law guarantees the increase of the total entropy of the whole system which consists of the black hole and the Hawking field. That is, the increase of the entropy of the Hawking field is faster than the decrease of the black hole entropy. In a naive sense, one may expect that the entropy increase of the Hawking field is due to the self-interaction among the composite particles of the Hawking field, and that the self-relaxation of the Hawking field results in the entropy increase. Then, when one considers a non-self-interacting matter field as the Hawking field, it is obvious that self-relaxation does not take place, and one may think that the total entropy does not increase. However, using nonequilibrium thermodynamics which has been developed recently, we find for the non-self-interacting Hawking field that the rate of entropy increase of the Hawking field (the entropy emission rate by the black hole) grows faster than the rate of entropy decrease of the black hole during the black hole evaporation in empty space. The origin of the entropy increase of the Hawking field is the increase of the black hole temperature. Hence an understanding of the generalized second law in the context of nonequilibrium thermodynamics is suggested; even if the self-relaxation of the Hawking field does not take place, the temperature increase of the black hole during the evaporation process causes the entropy increase of the Hawking field to result in the increase of the total entropy
Energy Technology Data Exchange (ETDEWEB)
Rajeswaran, Bharathi, E-mail: rajeswaran.bharathi@gmail.com; Umarji, A.M.
2017-04-01
VO{sub 2} displays a semiconducting to metallic (SMT) transition accessible near room temperature. This makes it one of the most sought after materials for electrical and optical switching. But this can be utilized only when the synthesis process yields phase pure VO{sub 2} without other oxides of vanadium. Across the SMT, VO{sub 2} exhibits difference crystal structures with a rich phase behavior of insulating monoclinic M1, M2 and T phases. The objective of this study is to synthesize phase pure VO{sub 2} and to investigate its structural evolution and infrared switching during the transition. In this work, a rapid non-equilibrium process namely Solution Combustion Synthesis (SCS) was employed. The structural phase transition (SPT) of VO{sub 2} nanostructures synthesized by SCS was investigated by in-situ temperature controlled XRD across the SMT. Gaussian curve fittings for measured XRD patterns revealed that competing phases of M1 and R significantly contribute to the observed pattern at every increase in temperature. The powders were further characterized by FTIR, DSC and DC electrical conductivity. These studies show that a sharp SMT was observed at 68–70 °C. Infrared transmittance experiments pinpointed the transition. Carrier density and mobility of VO{sub 2} were calculated. This suggests that this VO{sub 2} thus synthesized displays excellent phase transition behavior and can be utilized in optical and electrical switching. - Highlights: • VO{sub 2} has been synthesized by an easy, rapid, cost-effective, two-step, novel reaction. • High temperature XRD and DSC showed first order phase transition. • IR transmittance showed a decrease in transmittance at high temperatures enabling it to be used for IR sensing.
Non-equilibrium effects in the processing of materials using plasmas
Energy Technology Data Exchange (ETDEWEB)
Mangolini, Lorenzo [Univ. of California, Riverside, CA (United States)
2016-06-02
We have provided experimental evidence that nanoparticles in plasma are heated to temperatures that are significantly higher than that of the background gas. This result gives experimental confirmation to a number of theoretical/computational studies that predicted this behavior. Moreover, this study has provided with the first measurement of the temperature of nanoparticles in a processing dusty plasma, i.e. under conditions that are relevant for the growth and modification of nanopowders.
International Nuclear Information System (INIS)
Grigoryev, Yu.N.; Mikhalitsyn, A.N.; Yanenko, N.N.
1984-01-01
Quantitative characteristics of the nonmonotone relaxation process are studied in a gas of pseudo-Maxwell molecules. Basic results are obtained by a direct numerical integration of the nonlinear Boltzmann equation. The evolution of initial distributions being finite or having exponential asymptotics of tails was researched. In particular, initial data obtained by selective excitation (absorption) against the Maxwell background encountered in laser physics problems have been considered. It is shown that under conditions of a developed effect of nonmonotone relaxation the overpopulation in the velocity range 4 <= upsilon <= 10 exceeds on the average 2-3 times the equilibrium value. For the given particles energy the excitation is preserved during t = 5/6 and the total relaxation time of the overpopulation wave reaches t asymptotically equals 20. The amplitudes and the relaxation time of overpopulation in the ''cupola'' region of distribution are substantially lower than in the case of a developed effect in the tail. The influence of the effect on the kinetics of threshold chemical reaction is studied. From the results it follows that in the process of nonmonotone relaxation the mean rates of binary threshold reactions can exceed more than twice the equilibrium values. This estimate is valid for all power like intermolecular repulsive potentials from the pseudo-Maxwell model up to rigid spheres. Time intervals over which the mean reaction rate exceeds considerably the equilibrium one make from 5 to 15 mean free path times increasing with the decrease in the potential ''rigidity''. (author)
Escape rate for nonequilibrium processes dominated by strong non-detailed balance force
Tang, Ying; Xu, Song; Ao, Ping
2018-02-01
Quantifying the escape rate from a meta-stable state is essential to understand a wide range of dynamical processes. Kramers' classical rate formula is the product of an exponential function of the potential barrier height and a pre-factor related to the friction coefficient. Although many applications of the rate formula focused on the exponential term, the prefactor can have a significant effect on the escape rate in certain parameter regions, such as the overdamped limit and the underdamped limit. There have been continuous interests to understand the effect of non-detailed balance on the escape rate; however, how the prefactor behaves under strong non-detailed balance force remains elusive. In this work, we find that the escape rate formula has a vanishing prefactor with decreasing friction strength under the strong non-detailed balance limit. We both obtain analytical solutions in specific examples and provide a derivation for more general cases. We further verify the result by simulations and propose a testable experimental system of a charged Brownian particle in electromagnetic field. Our study demonstrates that a special care is required to estimate the effect of prefactor on the escape rate when non-detailed balance force dominates.
Garibov, A A; Agaev, T N
1999-01-01
The effect of the degree of order of SiO sub 2 on the localization process of non-equilibrium charge carriers (NCC) when exposed to gamma-quanta at 77 K has been investigated. It has been found that with decreasing SiO sub 2 structure degree of order, a localization probability of NCC increases. A contribution of surface defect states in SiO sub 2 to localization, migration and recombination annihilation processes of NCC induced by ionizing radiation has been determined.
Non-equilibrium thermodynamics
De Groot, Sybren Ruurds
1984-01-01
The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn
International Nuclear Information System (INIS)
Shiraishi, Hiroyuki
2008-01-01
Numerical Analyses on Laser-Supported Plasma (LSP) have been performed for researching the mechanism of laser absorption occurring in the laser propulsion system. Above all, Laser-Supported Detonation (LSD), categorized as one type of LSP, is considered as one of the most important phenomena because it can generate high pressure and high temperature for performing highly effective propulsion. For simulating generation and propagation of LSD wave, I have performed thermal non-equilibrium analyses by Navier-stokes equations, using a CO 2 gasdynamic laser into an inert gas, where the most important laser absorption mechanism for LSD propagation is Inverse Bremsstrahlung. As a numerical method, TVD scheme taken into account of real gas effects and thermal non-equilibrium effects by using a 2-temperature model, is applied. In this study, I analyze a LSD wave propagating through a conical nozzle, where an inner space of an actual laser propulsion system is simplified
Chen, Jiliang; Jiang, Fangming
2016-02-01
With a previously developed numerical model, we perform a detailed study of the heat extraction process in enhanced or engineered geothermal system (EGS). This model takes the EGS subsurface heat reservoir as an equivalent porous medium while it considers local thermal non-equilibrium between the rock matrix and the fluid flowing in the fractured rock mass. The application of local thermal non-equilibrium model highlights the temperature-difference heat exchange process occurring in EGS reservoirs, enabling a better understanding of the involved heat extraction process. The simulation results unravel the mechanism of preferential flow or short-circuit flow forming in homogeneously fractured reservoirs of different permeability values. EGS performance, e.g. production temperature and lifetime, is found to be tightly related to the flow pattern in the reservoir. Thermal compensation from rocks surrounding the reservoir contributes little heat to the heat transmission fluid if the operation time of an EGS is shorter than 15 years. We find as well the local thermal equilibrium model generally overestimates EGS performance and for an EGS with better heat exchange conditions in the heat reservoir, the heat extraction process acts more like the local thermal equilibrium process.
Progress in gamma processing of commercial products
International Nuclear Information System (INIS)
Fraser, F.M.
1988-01-01
In this paper the global outlook for gamma radiation processing of commercial products is discussed. Canada's contribution to the development of the industry is presented. New developments in the applications of the process and its marketing are discussed. (U.K.)
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
Progress in the processing of radioesterilized tissue
International Nuclear Information System (INIS)
Zarate S, H; Espinoza B, J; Ribbeck N, J; Vargas Q, M; Gutierrez D, K
2003-01-01
Since 1996, the Chilean Nuclear Energy Commission has been carrying out work to implement the first Radiosterilized Tissue Processing Laboratory (RTPL) in Chile, in order to introduce the use of sterilized biological tissue for clinical application. The International Atomic Energy Agency (IAEA) has provided collaboration and technical assistance for this work. The processing of biological tissues has been done in conjunction with physicians from different state hospital centers, mostly in the Metropolitan Region. Among the tissues primarily processed are allografts such as frozen human skin at - 80 o C, freeze-dried human bone and amniotic membrane. We have also been working with xenograft developments such as freeze-dried pig skin and demineralized ground cow bone. All these tissues are sterilized by means of gamma radiation, in order to obtain a sterility assurance level (SAL) of 10 -6 . This laboratory has already completed various stages, from the beginning when it was only just an idea up to the production stage where a large quantity of processed tissues have been delivered to physicians of different specialties, resulting in a contribution to medical science as well as to the treatment quality of a great many patients. The preliminary results and the opinions of those physicians who have used the processed products from our laboratory have encouraged us to continue developing new products, thus enlarging the scope of application (author)
Progress in radiation processing of polymers
Chmielewski, Andrzej G.; Haji-Saeid, Mohammad; Ahmed, Shamshad
2005-07-01
Modification in polymeric structure of plastic material can be brought either by conventional chemical means or by exposure to ionization radiation from ether radioactive sources or highly accelerated electrons. The prominent drawbacks of chemical cross-linking typically involve the generation of noxious fumes and by products of peroxide degradation. Both the irradiation sources have their merits and limitations. Increased utilization of electron beams for modification and enhancement of polymer materials has been in particular witnessed over the past 40 years. The paper highlights several recent cases of EB utilization to improve key properties of selected plastic products. In paper is provided a survey of radiation processing methods of industrial interest, encompassing technologies which are already commercially well established, through developments in the active R&D stage which show pronounced promise for future commercial use. Radiation cross-linking technologies discussed include: application in cable and wire, application in rubber tyres, radiation vulcanization of rubber latex, development of radiation crosslinked SiC fiber, polymer recycling, development of gamma compatible pp, hydrogels etc. Over the years, remarkable advancement has been achieved in radiation processing of natural polymers. Role of radiation in improving the processing of temperature of PCL for use as biodegradable polymer, in accelerated breakdown of cellulose into viscose and enhancement in yields of chitin/chitosan from sea-food waste, is described.
Progress in radiation processing of polymers
International Nuclear Information System (INIS)
Chmielewski, Andrzej G.; Haji-Saeid, Mohammad; Ahmed, Shamshad
2005-01-01
Modification in polymeric structure of plastic material can be brought either by conventional chemical means or by exposure to ionization radiation from ether radioactive sources or highly accelerated electrons. The prominent drawbacks of chemical cross-linking typically involve the generation of noxious fumes and by products of peroxide degradation. Both the irradiation sources have their merits and limitations. Increased utilization of electron beams for modification and enhancement of polymer materials has been in particular witnessed over the past 40 years. The paper highlights several recent cases of EB utilization to improve key properties of selected plastic products. In paper is provided a survey of radiation processing methods of industrial interest, encompassing technologies which are already commercially well established, through developments in the active R and D stage which show pronounced promise for future commercial use. Radiation cross-linking technologies discussed include: application in cable and wire, application in rubber tyres, radiation vulcanization of rubber latex, development of radiation crosslinked SiC fiber, polymer recycling, development of gamma compatible pp, hydrogels etc. Over the years, remarkable advancement has been achieved in radiation processing of natural polymers. Role of radiation in improving the processing of temperature of PCL for use as biodegradable polymer, in accelerated breakdown of cellulose into viscose and enhancement in yields of chitin/chitosan from sea-food waste, is described
Progress in radiation processing of polymers
Energy Technology Data Exchange (ETDEWEB)
Chmielewski, Andrzej G. [International Atomic Energy Agency, Industrial Applications and Chemistry Section, Division of Physical and Chemical Sciences, Department of Nuclear Sciences and Applications, Wagramer Street 5, Vienna 1400 (Austria) and Department of Process and Chemical Engineering, Warsaw University of Technology, Warsaw (Poland)]. E-mail: a-g.chmielewski@iaea.org; Haji-Saeid, Mohammad [International Atomic Energy Agency, Industrial Applications and Chemistry Section, Division of Physical and Chemical Sciences, Department of Nuclear Sciences and Applications, Wagramer Street 5, Vienna 1400 (Austria); Ahmed, Shamshad [Applied Chemistry Laboratories, Pakistan Institute of Nuclear Science and Technology, P.O. Box Nilore, Islamabad (Pakistan)
2005-07-01
Modification in polymeric structure of plastic material can be brought either by conventional chemical means or by exposure to ionization radiation from ether radioactive sources or highly accelerated electrons. The prominent drawbacks of chemical cross-linking typically involve the generation of noxious fumes and by products of peroxide degradation. Both the irradiation sources have their merits and limitations. Increased utilization of electron beams for modification and enhancement of polymer materials has been in particular witnessed over the past 40 years. The paper highlights several recent cases of EB utilization to improve key properties of selected plastic products. In paper is provided a survey of radiation processing methods of industrial interest, encompassing technologies which are already commercially well established, through developments in the active R and D stage which show pronounced promise for future commercial use. Radiation cross-linking technologies discussed include: application in cable and wire, application in rubber tyres, radiation vulcanization of rubber latex, development of radiation crosslinked SiC fiber, polymer recycling, development of gamma compatible pp, hydrogels etc. Over the years, remarkable advancement has been achieved in radiation processing of natural polymers. Role of radiation in improving the processing of temperature of PCL for use as biodegradable polymer, in accelerated breakdown of cellulose into viscose and enhancement in yields of chitin/chitosan from sea-food waste, is described.
Defense waste processing facility startup progress report
International Nuclear Information System (INIS)
Iverson, D.C.; Elder, H.H.
1992-01-01
The Savannah River Site (SRS) has been operating a nuclear fuel cycle since the 1950's to produce nuclear materials in support of the national defense effort. About 83 million gallons of high level waste produced since operation began have been consolidated into 33 million gallons by evaporation at the waste tank farm. The Department of Energy has authorized the construction of the Defense Waste Processing Facility (DWPF) to immobilize the waste as a durable borosilicate glass contained in stainless steel canisters, prior to emplacement in a federal repository. The DWPF is now mechanically complete and undergoing commissioning and run-in activities. Cold startup testing using simulated non-radioactive feeds is scheduled to begin in November 1992 with radioactive operation scheduled to begin in May 1994. While technical issues have been identified which can potentially affect DWPF operation, they are not expected to negatively impact the start of non-radioactive startup testing
Hachay, Olga; Khachay, Andrey; Khachay, Oleg
2016-04-01
The processes of oil extraction from deposit are linked with the movement of multi-phase multi-component media, which are characterized by non-equilibrium and non-linear rheological features. The real behavior of layered systems is defined by the complexity of the rheology of moving fluids and the morphology structure of the porous medium, and also by the great variety of interactions between the fluid and the porous medium [Hasanov and Bulgakova, 2003]. It is necessary to take into account these features in order to informatively describe the filtration processes due to the non-linearity, non-equilibrium and heterogeneity that are features of real systems. In this way, new synergetic events can be revealed (namely, a loss of stability when oscillations occur, and the formation of ordered structures). This allows us to suggest new methods for the control and management of complicated natural systems that are constructed on account of these phenomena. Thus the layered system, from which it is necessary to extract the oil, is a complicated dynamical hierarchical system. A comparison is provided of non-equilibrium effects of the influence of independent hydrodynamic and electromagnetic induction on an oil layer and the medium which it surrounds. It is known that by drainage and steeping the hysteresis effect on curves of the relative phase permeability in dependence on the porous medium's water saturation in some cycles of influence (drainage-steep-drainage) is observed. Using the earlier developed 3D method of induction electromagnetic frequency geometric monitoring, we showed the possibility of defining the physical and structural features of a hierarchical oil layer structure and estimating the water saturation from crack inclusions. This effect allows managing the process of drainage and steeping the oil out of the layer by water displacement. An algorithm was constructed for 2D modeling of sound diffraction on a porous fluid-saturated intrusion of a hierarchical
Esposti Ongaro, Tomaso; Cerminara, Matteo
2016-10-01
In the framework of the IAVCEI (International Association of Volcanology and Chemistry of the Earth Interior) initiative on volcanic plume models intercomparison, we discuss three-dimensional numerical simulations performed with the multiphase flow model PDAC (Pyroclastic Dispersal Analysis Code). The model describes the dynamics of volcanic and atmospheric gases (in absence of wind) and two pyroclastic phases by adopting a non-equilibrium Eulerian-Eulerian formulation. Accordingly, gas and particulate phases are treated as interpenetrating fluids, interacting with each other through momentum (drag) and heat exchange. Numerical results describe the time-wise and spatial evolution of weak (mass eruption rate: 1.5 × 106 kg/s) and strong (mass eruption rate: 1.5 × 109 kg/s) plumes. The two tested cases display a remarkably different phenomenology, associated with the different roles of atmospheric stratification, compressibility and mechanism of buoyancy reversal, reflecting in a different structure of the plume, of the turbulent eddies and of the atmospheric circulation. This also brings about different rates of turbulent mixing and atmospheric air entrainment. The adopted multiphase flow model allows to quantify temperature and velocity differences between the gas and particles, including settling, preferential concentration by turbulence and thermal non-equilibrium, as a function of their Stokes number, i.e., the ratio between their kinetic equilibrium time and the characteristic large-eddy turnover time of the turbulent plume. As a result, the spatial and temporal distribution of coarse ash in the atmosphere significantly differs from that of the fine ash, leading to a modification of the plume shape. Finally, three-dimensional numerical results have been averaged in time and across horizontal slices in order to obtain a one-dimensional picture of the plume in a stationary regime. For the weak plume, the results are consistent with one-dimensional models, at
International Nuclear Information System (INIS)
Swinney, H.L.; Swift, J.
1985-01-01
Methods of characterizing nonperiodic processes in nonlinear systems are being developed and tested on low dimensional mathematical models and applied to laboratory data for nonequilibrium systems, particularly the Belousov--Zhabotinskii (BZ) reaction. Methods developed for characterizing dynamical behavior are described first, followed by a discussion of the experimental work
Mechanochemically driven nonequilibrium processes in MNH{sub 2}-CaH{sub 2} systems (M = Li or Na)
Energy Technology Data Exchange (ETDEWEB)
Dolotko, Oleksandr; Zhang Haiqiao [Ames Laboratory, US Department of Energy, Iowa State University, Ames, IA 50011-3020 (United States); Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011-2030 (United States); Li Sa; Jena, Puru [Department of Physics, Virginia Commonwealth University, Richmond, VA 23284 (United States); Pecharsky, Vitalij, E-mail: vitkp@ameslab.go [Ames Laboratory, US Department of Energy, Iowa State University, Ames, IA 50011-3020 (United States); Department of Materials Science and Engineering, Iowa State University, Ames, IA 50011-2030 (United States)
2010-09-10
Mechanochemical transformations of lithium and sodium amides with calcium hydride have been investigated using gas volumetric analysis, X-ray powder diffraction, and residual gas analysis. The overall mechanochemical transformations are equimolar, and they proceed as the following solid state reaction: MNH{sub 2} + CaH{sub 2} {yields} CaNH + MH + H{sub 2}, where M = Li or Na. The transformation kinetics of the lithium containing system is markedly faster compared to the system with sodium. The difference in the rates of solid state transformations, and therefore, in hydrogen release kinetics can be explained by difference in mobility of lithium and sodium atoms. Total energies and enthalpies of formation for different reaction products during the dehydrogenation of CaH{sub 2}-MNH{sub 2} mixtures were calculated using density functional theory. Compared to thermochemical transformations, which proceed in accordance with thermodynamic equilibrium, reactions induced by mechanical energy drive the MNH{sub 2}-CaH{sub 2} systems to nonequilibrium configurations with different final products.
Nonequilibrium Phenomena in Plasmas
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.
Nonequilibrium Statistical Operator Method and Generalized Kinetic Equations
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.
Link prediction based on nonequilibrium cooperation effect
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.
Ruiz-Reina, Emilio; Carrique, Félix; Lechuga, Luis
2014-03-01
Most of the suspensions usually found in industrial applications are concentrated, aqueous and in contact with the atmospheric CO2. The case of suspensions with a high concentration of added salt is relatively well understood and has been considered in many studies. In this work we are concerned with the case of concentrated suspensions that have no ions different than: (1) those stemming from the charged colloidal particles (the added counterions, that counterbalance their surface charge); (2) the H(+) and OH(-) ions from water dissociation, and (3) the ions generated by the atmospheric CO2 contamination. We call this kind of systems "realistic salt-free suspensions". We show some theoretical results about the electrophoretic mobility of a colloidal particle and the electroviscous effect of realistic salt-free concentrated suspensions. The theoretical framework is based on a cell model that accounts for particle-particle interactions in concentrated suspensions, which has been successfully applied to many different phenomena in concentrated suspensions. On the other hand, the water dissociation and CO2 contamination can be described following two different levels of approximation: (a) by local equilibrium mass-action equations, because it is supposed that the reactions are so fast that chemical equilibrium is attained everywhere in the suspension, or (b) by non-equilibrium dissociation-association kinetic equations, because it is considered that some reactions are not rapid enough to ensure local chemical equilibrium. Both approaches give rise to different results in the range from dilute to semidilute suspensions, causing possible discrepancies when comparing standard theories and experiments concerning transport properties of realistic salt-free suspensions. Copyright © 2013 Elsevier Inc. All rights reserved.
Nonequilibrium statistical mechanics ensemble method
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
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.)
Aerospace Applications of Non-Equilibrium Plasma
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 theory of flame propagation
International Nuclear Information System (INIS)
Merzhanov, A.G.
1995-01-01
The nonequilibrium theory of flame propagation is considered as applied to the following three processes of wave propagation: the combustion waves of the second kind, the combustion waves with broad reaction zones, and the combustion waves with chemical stages. Kinetic and combustion wave parameters are presented for different in composition mixtures of boron and transition metals, such as Zr, Hf, Ti, Nb, Ta, Mo, as well as for the Ta-N, Zr-C-H, Nb-B-O systems to illustrate specific features of the above-mentioned processes [ru
Nonequilibrium statistical physics
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
On the Sustainability and Progress of Energy Neutral Mineral Processing
Directory of Open Access Journals (Sweden)
Frederik Reitsma
2018-01-01
Full Text Available A number of primary ores such as phosphate rock, gold-, copper- and rare earth ores contain considerable amounts of accompanying uranium and other critical materials. Energy neutral mineral processing is the extraction of unconventional uranium during primary ore processing to use it, after enrichment and fuel production, to generate greenhouse gas lean energy in a nuclear reactor. Energy neutrality is reached if the energy produced from the extracted uranium is equal to or larger than the energy required for primary ore processing, uranium extraction, -conversion, -enrichment and -fuel production. This work discusses the sustainability of energy neutral mineral processing and provides an overview of the current progress of a multinational research project on that topic conducted under the umbrella of the International Atomic Energy Agency.
Progress in ultrafast laser processing and future prospects
Sugioka, Koji
2017-03-01
The unique characteristics of ultrafast lasers have rapidly revolutionized materials processing after their first demonstration in 1987. The ultrashort pulse width of the laser suppresses heat diffusion to the surroundings of the processed region, which minimizes the formation of a heat-affected zone and thereby enables ultrahigh precision micro- and nanofabrication of various materials. In addition, the extremely high peak intensity can induce nonlinear multiphoton absorption, which extends the diversity of materials that can be processed to transparent materials such as glass. Nonlinear multiphoton absorption enables three-dimensional (3D) micro- and nanofabrication by irradiation with tightly focused femtosecond laser pulses inside transparent materials. Thus, ultrafast lasers are currently widely used for both fundamental research and practical applications. This review presents progress in ultrafast laser processing, including micromachining, surface micro- and nanostructuring, nanoablation, and 3D and volume processing. Advanced technologies that promise to enhance the performance of ultrafast laser processing, such as hybrid additive and subtractive processing, and shaped beam processing are discussed. Commercial and industrial applications of ultrafast laser processing are also introduced. Finally, future prospects of the technology are given with a summary.
Non-Equilibrium Thermodynamics in Multiphase Flows
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...
Nonequilibrium statistical physics a modern perspective
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.
Nonequilibrium thermodynamics of restricted Boltzmann machines
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.
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.
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
Electropolishing as a decontamination process: progress and applications
International Nuclear Information System (INIS)
Allen, R.P.; Arrowsmith, H.W.; Charlot, L.A.; Hooper, J.L.
1978-04-01
Research studies demonstrated the ability of electropolishing to reduce the radiation levels of steel tools and stainless steel vacuum system components, which were heavily contaminated with plutonium oxide, from 1 million dis/min x 100 cm 2 to background in less than 10 min. Other examples of objects that have been decontaminated within minutes using electropolishing include hot cell manipulator assemblies, analytical instrument components, laboratory transfer containers, offsite shipping containers, fission product storage capsules, laboratory animal cages, and nuclear reactor process tube components. One of the major activities of this research has been the establishment and intensive operation of a 400-gal immersion electropolishing system. Progress has also been made in developing in situ electropolishing techniques that can be used to decontaminate metallic surfaces that cannot readily be transported to or immersed in a conventional electropolishing tank. Sectioning/pretreatment studies are under way to develop and demonstrate optimum disassembly, sectioning, surface preparation, and gross contamination removal procedures. Arc saw, plasma arc torch, and explosive cutting techniques are being evaluated in terms of the thickness and characteristics of the disturbed metal layer. Some of the pretreatment methods under consideration for removal of paint, grease, corrosion layers, and gross contamination include vibratory finishing, ultrasonics, dry and liquid abrasive blasting, and high-pressure spray systems. Other supporting studies are also in progress to provide a sound technical basis for scale-up and widespread application of this new decontamination process. 44 figures
Generators of nonequilibrium low-temperature plasma
International Nuclear Information System (INIS)
Dautov, G.Yu.
1988-01-01
Results are described of a study and of the characteristics of sources of a non-equilibrium gas-discharge plasma. The plasma generators considered include glow, high frequency, and arc discharge generators. Thermodynamic, ionic, and electronic processes occurring in the plasmas are evaluated
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...
Non-equilibrium synergistic effects in atmospheric pressure plasmas.
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.
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
Progressive sample processing of band selection for hyperspectral imagery
Liu, Keng-Hao; Chien, Hung-Chang; Chen, Shih-Yu
2017-10-01
Band selection (BS) is one of the most important topics in hyperspectral image (HSI) processing. The objective of BS is to find a set of representative bands that can represent the whole image with lower inter-band redundancy. Many types of BS algorithms were proposed in the past. However, most of them can be carried on in an off-line manner. It means that they can only be implemented on the pre-collected data. Those off-line based methods are sometime useless for those applications that are timeliness, particular in disaster prevention and target detection. To tackle this issue, a new concept, called progressive sample processing (PSP), was proposed recently. The PSP is an "on-line" framework where the specific type of algorithm can process the currently collected data during the data transmission under band-interleavedby-sample/pixel (BIS/BIP) protocol. This paper proposes an online BS method that integrates a sparse-based BS into PSP framework, called PSP-BS. In PSP-BS, the BS can be carried out by updating BS result recursively pixel by pixel in the same way that a Kalman filter does for updating data information in a recursive fashion. The sparse regression is solved by orthogonal matching pursuit (OMP) algorithm, and the recursive equations of PSP-BS are derived by using matrix decomposition. The experiments conducted on a real hyperspectral image show that the PSP-BS can progressively output the BS status with very low computing time. The convergence of BS results during the transmission can be quickly achieved by using a rearranged pixel transmission sequence. This significant advantage allows BS to be implemented in a real time manner when the HSI data is transmitted pixel by pixel.
Deep Magnetic Diagenesis in Sediments: Progressive and Punctuated Processes.
Musgrave, R. J.; Kars, M. A. C.; Vega, M. E.
2017-12-01
Magnetic diagenesis in the tuffaceous muds, mudstones and volcaniclastic rocks cored at IODP Site U1437 is a product of progressive processes that continue throughout the 1800-m-thick sequence, punctuated by superimposed features corresponding to a series of influxes of fluids and concentrations of hydrocarbons. XRD, visual examination and SEM images indicate the presence of both magnetite and the magnetic sulfide greigite. Inferences from high values of saturation isothermal remanence normalised by magnetic susceptibility (SIRM/χ), distribution of hysteresis data near a diagenetic greigite curve on a Day plot, and 'humping' of low-temperature cycles of SIRM suggest that detrital magnetite and diagenetic greigite are both significant contributors to the magnetic assemblage, with greigite constituting a higher proportion in shallower samples. Progressive magnetic diagenesis is expressed as a continuing background decrease in SIRM/χ. FORC curves indicate an initial diagenetic growth of one or more higher-coercivity phases, followed downhole by increasing loss of all but low-coercivity material. The downhole pattern is consistent with progressive loss of fine-grained magnetite, initial authigenesis of greigite, and progressive pyritisation of the greigite. Some coarse-grained samples from the base of the sequence buck the trend, exhibiting SD behavior probably related to surviving magnetite inclusions in silicates. Shipboard fluid analysis revealed a complex profile of interstitial-water geochemistry, marked by several fluid influxes, including inputs of sulfate-rich water at about 275 and 460 meters below seafloor (mbsf). Methane concentrations, mostly low, markedly increase in the interval between 750 and 1460 mbsf, and ethane appears below an inferred fault at 1104 mbsf. Each of these fluid events is marked by offsets in the rock magnetic parameters SIRM/χ, S-0.3T, and DJH, representing repeated phases of late diagenetic growth of greigite in response to
Statistical mechanics of nonequilibrium liquids
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,
Progress in the development of the write process
Energy Technology Data Exchange (ETDEWEB)
Guffey, F.D.; Fahy, J.; Worman, D.; Lowry, C.; Mones, C. [Western Research Inst., Laramie, WY (United States); Corscadden, T.; Diduch, G. [MEG Energy Corp., Calgary, AB (Canada)
2009-07-01
This presentation described the commercialization of a field deployable upgrader developed by the Western Research Institute (WRI). The WRI Thermal Enhancement (WRITE) process was first tested in a 1-bbl/day bench scale unit. Based on the results of the testing program, a 5 bbl/day WRITE Process pilot plant was designed and built. It is currently in operation at WRI's Advanced Technology Center in Laramie, Wyoming. The 5 bbl/day WRITE Process pilot plant includes a 5 bbl/day distillate recovery unit (DRU) and a continuous coker that receives the produced bottoms. The DRU recovers diluent for recycling. The bitumen undergoes thermal conversion in the WRITE reactor to produce a pipeline quality product. The pyrolyzate produced by the coker is blended with the DRU to produce a synthetic crude oil (SCO) that is pipelined to existing refineries. Studies are currently underway at the pilot plant using dilbit produced at EMG's Christina Lake site. This presentation described the experimental program that is in progress. It also discussed the commercial viability of the technology for producing a pipeline quality product. tabs., figs.
Equilibrium and non-equilibrium phenomena in arcs and torches
Mullen, van der J.J.A.M.
2000-01-01
A general treatment of non-equilibrium plasma aspects is obtained by relating transport fluxes to equilibrium restoring processes in so-called disturbed Bilateral Relations. The (non) equilibrium stage of a small microwave induced plasma serves as case study.
Improving the process of progressive preliming in sugar production
Directory of Open Access Journals (Sweden)
V. A. Golybin
2016-01-01
Full Text Available Tasks progressive preliming are to conduct neutralization, coagulation, deposition of non-sugars, the formation of a precipitate structure. This is the first operation of physical and chemical cleaning of the raw juice in the case of it in optimum conditions enables the coagulation and transferred to precipitate a substantial portion of high-molecular non-sugars, poorly soluble calcium salts that provides the cleaning effect of 14–18%, that is, up to half of the total effect on the whole station lime-carbon dioxide purification. The results preliming felt not only on the properties of the filtration of the carbonated juices, but a lso on the quality of performance of all intermediates and produced of sugar, in particular the color and turbidity of an aqueous solution, the content of the ash. In our investigations using the raw juice from sugar beet low quality found that when a uniform progressi ve change in pH of the juice during warm preliming best results for deposition rate and volume solids of the resulting precipitate are achieved when the length of 7 to 10 minutes. If it increases to 15 minutes and further reduced the deposition rate of the solid phase with a significant increase in turbidity decantate. It found that as a result of excess visit a large part of the raw juice in a progressive preliming at 60 °C increase in color prelimed juice was 30–55%, which is in agreement with the calculated values decay reducing agents in alkaline solution and formation of any additional colorants. The results confirming the feasibility of the use preddefekatsionnoy for processing the raw juice of condensed carbonate refunds.
Nonequilibrium effects in Isoscaling
International Nuclear Information System (INIS)
Dorso, C. O.; Lopez, J. A.
2007-01-01
In this work we study within a simple model different properties of the system that allow us to understand the properties of the isoscaling observable. We first show that isoscaling is a general property of fragmenting systems. We show this by using a simple generalized percolation model. We show that the usual isoscaling property can be obtained in the case of bond percolation in bichromatic lattices with any regular topology. In this case the probabilities of each color (isospin) are independent. We then explore the effect of introducing 'non-equilibrium' effects
The nonequilibrium molecular dynamics
International Nuclear Information System (INIS)
Hoover, W.G.
1992-03-01
MOLECULAR DYNAMICS has been generalized in order to simulate a variety of NONEQUILIBRIUM systems. This generalization has been achieved by adopting microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress. Some of the problems already treated include rapid plastic deformation, intense heat conduction, strong shockwaves simulation, and far-from-equilibrium phase transformations. Continuing advances in technique and in the modeling of interatomic forces, coupled with qualitative improvements in computer hardware, are enabling such simulations to approximate real-world microscale and nanoscale experiments
Instabilities and nonequilibrium structures
International Nuclear Information System (INIS)
Tirapegui, E.; Villarroel, D.
1987-01-01
Physical systems can be studied both near to and far from equilibrium where instabilities appear. The behaviour in these two regions is reviewed in this book, from both the theoretical and application points of view. The influence of noise in these situations is an essential feature which cannot be ignored. It is therefore discussed using phenomenological and theoretical approaches for the numerous problems which still remain in the field. This volume should appeal to mathematicians and physicists interested in the areas of instability, bifurcation theory, dynamical systems, pattern formation, nonequilibrium structures and statistical mechanics. (Auth.)
Resurrecting the chimera: Progressions in parenting and peer processes.
Forgatch, Marion S; Snyder, James J; Patterson, Gerald R; Pauldine, Michael R; Chaw, Yvonne; Elish, Katie; Harris, Jasmine B; Richardson, Eric B
2016-08-01
This report uses 6-year outcomes of the Oregon Divorce Study to examine the processes by which parenting practices affect deviant peer association during two developmental stages: early to middle childhood and late childhood to early adolescence. The participants were 238 newly divorced mothers and their 5- to 8-year-old sons who were randomly assigned to Parent Management Training-Oregon Model (PMTO®) or to a no-treatment control group. Parenting practices, child delinquent behavior, and deviant peer association were repeatedly assessed from baseline to 6 years after baseline using multiple methods and informants. PMTO had a beneficial effect on parenting practices relative to the control group. Two stage models linking changes in parenting generated by PMTO to children's growth in deviant peer association were supported. During the early to middle childhood stage, the relationship of improved parenting practices on deviant peer association was moderated by family socioeconomic status (SES); effective parenting was particularly important in mitigating deviant peer association for lower SES families whose children experience higher densities of deviant peers in schools and neighborhoods. During late childhood and early adolescence, the relationship of improved parenting to youths' growth in deviant peer association was mediated by reductions in the growth of delinquency during childhood; higher levels of early delinquency are likely to promote deviant peer association through processes of selective affiliation and reciprocal deviancy training. The results are discussed in terms of multilevel developmental progressions of diminished parenting, child involvement in deviancy producing processes in peer groups, and increased variety and severity of antisocial behavior, all exacerbated by ecological risks associated with low family SES.
New progressive technology of flat gears processing development
Directory of Open Access Journals (Sweden)
Михайло Володимирович Маргуліс
2015-11-01
Full Text Available Relevant scientific and technical problems in relation to mechanical engineering is development of new technological processes that make it possible to achieve high accuracy and durability of machine parts that meet the requirements imposed on them. So it is important to develop a new method to make a flat gear teeth by plastic deformation of the ingot. The article deals with the actual problem of improving productivity and quality of plane wheels teeth that are widely used in advanced wave, planetary and other transmissions. A progressive method to produce flat gear teeth gear by plastic deformation of the ingot with two knurl rollers alternately moving reciprocally in the direction not intersecting the axis of the ingot mounting surface has been described in the article. The working surface of the rollers corresponds to the resulting shape of the teeth. The schemes of the teeth installing and knurling have been shown. The necessary material and the heat treatment of the knurling tools have been described. Its use will significantly increase the wear resistance of the working surfaces of the teeth and their durability as well as to increase productivity and its manufacturing costs. The material of the rollers is BC15steel. The surface layer of the knurling tools was subjected to nitration, surface hardness being up to 65 HRC. Knurling is made in the5236P shaper suited for this purpose
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....
Foundations of atmospheric pressure non-equilibrium plasmas
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.
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)
Directory of Open Access Journals (Sweden)
Katalin Martinás
2007-02-01
Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.
Students' Progress throughout Examination Process as a Markov Chain
Hlavatý, Robert; Dömeová, Ludmila
2014-01-01
The paper is focused on students of Mathematical methods in economics at the Czech university of life sciences (CULS) in Prague. The idea is to create a model of students' progress throughout the whole course using the Markov chain approach. Each student has to go through various stages of the course requirements where his success depends on the…
AECL's progress in developing the DUPIC fuel fabrication process
International Nuclear Information System (INIS)
Sullivan, J.D.; Cox, D.S.
1995-01-01
Spent Pressurized Water Reactor (PWR) fuel can be used directly in CANDU reactors without the need for wet chemical reprocessing or reenrichment. Considerable experimental progress has been made in verifying the practicality of this fuel cycle, including hot-cell experiments using spent PWR fuels and out-cell trials using surrogate fuels. This paper describes the current status of these experiments. (author)
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
Finite Progressive Planning for the Assembly Process in Footwear
Reyes, John; Aldás, Darwin; Salazar, Edisson; Armendáriz, Evelyn; Álvarez, Kevin; Núñez, José; García, Mario
2017-06-01
The scheduling of the operations of a manufacturing system is recognized for its efficiency in establishing a characteristic rate of production based on the forecasting of the ending date of an order. However, progressive planning focused on the footwear industries has not been studied in detail, since it is limited by the use of machines and supply according to the demand of the production line, whose development is based on just in time. The study proposes a finite progressive planning model in the area of footwear assembly that begins with analysis of the demand and identification of manufacturing constraints in order to establish an optimal ordering sequence. The results show manufacturing requirements through production orders that automatically determine production shifts per order, through experimentation of scenarios, the 25% increase in productivity indicators and a 31% improvement in efficiency are established. This improvement represents higher benefits for the industrial sector when establishing planning in the workplace.
Anisotropic nonequilibrium hydrodynamic attractor
Strickland, Michael; Noronha, Jorge; Denicol, Gabriel S.
2018-02-01
We determine the dynamical attractors associated with anisotropic hydrodynamics (aHydro) and the DNMR equations for a 0 +1 d conformal system using kinetic theory in the relaxation time approximation. We compare our results to the nonequilibrium attractor obtained from the exact solution of the 0 +1 d conformal Boltzmann equation, the Navier-Stokes theory, and the second-order Mueller-Israel-Stewart theory. We demonstrate that the aHydro attractor equation resums an infinite number of terms in the inverse Reynolds number. The resulting resummed aHydro attractor possesses a positive longitudinal-to-transverse pressure ratio and is virtually indistinguishable from the exact attractor. This suggests that an optimized hydrodynamic treatment of kinetic theory involves a resummation not only in gradients (Knudsen number) but also in the inverse Reynolds number. We also demonstrate that the DNMR result provides a better approximation of the exact kinetic theory attractor than the Mueller-Israel-Stewart theory. Finally, we introduce a new method for obtaining approximate aHydro equations which relies solely on an expansion in the inverse Reynolds number. We then carry this expansion out to the third order, and compare these third-order results to the exact kinetic theory solution.
Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.
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.
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)
Defining Incident Management Processes for CSIRTs: A Work in Progress
National Research Council Canada - National Science Library
Alberts, Chris; Dorofee, Audrey; Killcrece, Georgia; Ruefle, Robin; Zajicek, Mark
2004-01-01
.... Workflow diagrams and descriptions are provided for each of these processes. One advantage of the model is that it enables examination of incident management processes that cross organizational boundaries, both internally and externally...
Improving the process of progressive preliming in sugar production
V. A. Golybin; V. A. Fedoruk; N. A. Voronkova; I. S. Bushmin
2016-01-01
Tasks progressive preliming are to conduct neutralization, coagulation, deposition of non-sugars, the formation of a precipitate structure. This is the first operation of physical and chemical cleaning of the raw juice in the case of it in optimum conditions enables the coagulation and transferred to precipitate a substantial portion of high-molecular non-sugars, poorly soluble calcium salts that provides the cleaning effect of 14–18%, that is, up to half of the total effect on the whole stat...
Fundamental studies of separation processes. Technical progress report
International Nuclear Information System (INIS)
Rogers, L.B.
1975-06-01
Studies using high-precision gas chromatography and supercritical fluid chromatography have produced new types of information on liquid crystals and on behavior of substances in the region of the critical temperature, respectively. In addition, the first successful studies of the effects of pressure on cation exchange have been made using aqueous solutions of alkali metal nitrates. In contrast, progress on separations of isotopic species using gas chromatography has been disappointing. In that area, the chief accomplishment has been a determination of the levels of accuracy and precision with which isotopic abundances can be measured using our quadrupole mass spectrometer. (U.S.)
Recent status and progress of radiation processing in the world
International Nuclear Information System (INIS)
Lee, Yun Jong; Lee, Byoung Hun; Im, Don Sun; Kim, Jae Ho; Nho, Young Chang
2008-01-01
Radiation technology is currently used in a number of industrial processes such as sterilization, cross linking of polymer, food irradiation, rubber vulcanization in the tire manufacturing, contaminated medical waste, etc. Gamma ray and electron beam are the key examples of well-established economical applications of radiation processes. The purpose of this paper is to review the recent technological trends and activities for radiation processes in order for the industrial end users to better understand, and obtain useful information about the technology. It is clear that the radiation processing technology has potential for a variety of the industrial applications
Recent status and progress of radiation processing in the world
Energy Technology Data Exchange (ETDEWEB)
Lee, Yun Jong; Lee, Byoung Hun; Im, Don Sun; Kim, Jae Ho; Nho, Young Chang [Advanced Radiation Technology Institute, Korea Atomic Energy Research Institute, Jeongeup(Korea, Republic of)
2008-01-15
Radiation technology is currently used in a number of industrial processes such as sterilization, cross linking of polymer, food irradiation, rubber vulcanization in the tire manufacturing, contaminated medical waste, etc. Gamma ray and electron beam are the key examples of well-established economical applications of radiation processes. The purpose of this paper is to review the recent technological trends and activities for radiation processes in order for the industrial end users to better understand, and obtain useful information about the technology. It is clear that the radiation processing technology has potential for a variety of the industrial applications.
International Nuclear Information System (INIS)
Imai, Makoto; Shibata, Hiromi; Sataka, Masao; Sugai, Hiroyuki; Nishio, Katsuhisa; Sugiyama, Koji; Komaki, Ken-ichiro
2005-01-01
Charge state distributions of 2.0 MeV/u (64 MeV) sulfur ions of various initial charge states (6+, 10+, 11+, 13+) after passing through 0.9, 1.1, 1.5, 2.0, 3.0, 4.7, 6.9 and 10 μg/cm 2 carbon foils have been studied experimentally using the heavy ion spectrometer 'ENMA'. Measured charge state distributions do not flat off to establish equilibrium within the measured thickness, proving to be the first systematic measurement of non-equilibrium charge state distribution using solid target at this energy range. The mean charge states and their distribution widths almost saturate to 12.4 and 1.03, respectively, for all initial charge states examined. Calculation with ETACHA code, developed by Rozet et al. [Nucl. Instr. and Meth. B 107 (1996) 67], is employed, although the present impact energy is lower than the assumed energy region for this code. It was also confirmed that a certain portion of 16 O q+ (q=3, 4, 7) beam is included in 32 S q+ (q=6, 8, 14) beam provided from the Tandem Accelerator, which originates in the Negative Ion Source forming O 2 - . (author)
Motivated information processing in organizational teams: Progress, puzzles, and prospects
Nijstad, B.A.; de Dreu, C.K.W.
2012-01-01
Much of the research into group and team functioning looks at groups that perform cognitive tasks, such as decision making, problem solving, and innovation. The Motivated Information Processing in Groups Model (MIP-G; De Dreu, Nijstad, & Van Knippenberg, 2008) conjectures that information processing
Using Statistical Process Control to Enhance Student Progression
Hanna, Mark D.; Raichura, Nilesh; Bernardes, Ednilson
2012-01-01
Public interest in educational outcomes has markedly increased in the most recent decade; however, quality management and statistical process control have not deeply penetrated the management of academic institutions. This paper presents results of an attempt to use Statistical Process Control (SPC) to identify a key impediment to continuous…
Progress in catalytic naphtha reforming process: A review
International Nuclear Information System (INIS)
Rahimpour, Mohammad Reza; Jafari, Mitra; Iranshahi, Davood
2013-01-01
Catalytic naphtha reforming process is a vital process for refineries due to the production of high-octane components, which is intensely demanded in our modern life. The significance of this industrial process induced researchers to investigate different aspects of catalytic naphtha reforming process intensively. Some of the investigators try to improve this process by representing more effective catalysts, while others try to elucidate its kinetic and deactivation mechanisms and design more efficient reactor setups. The amount of these established papers is so much that may confuse some of the researchers who want to find collective information about catalytic naphtha reforming process. In the present paper, the published studies from 1949 until now are categorized into three main groups including finding suitable catalyst, revealing appropriate kinetic and deactivation model, and suggesting efficient reactor configuration and mode of operation. These studies are reviewed separately, and a suitable reference is provided for those who want to have access to generalized information about catalytic naphtha reforming process. Finally, various suggestions for revamping the catalytic naphtha reforming process have been proposed as a guideline for further investigations
Present status and expected progress in radiation processing dosimetry
DEFF Research Database (Denmark)
Kovács, A.; Miller, A.
2004-01-01
The paper describes the present status of radiation processing dosimetry including the methods used most widely in gamma- and electron processing as well as the new methods under development or introduction. The recent trends with respect to calibrationof routine dosimetry systems as well...
Purex process extraction cycles: a potential for progress today
Energy Technology Data Exchange (ETDEWEB)
Boullis, B.; Germain, M.; Goumondy, J.P.; Rouyer, H.
1994-12-31
The Purex process very quickly and very widely supplanted the other concepts considered for nuclear fuel reprocessing after the presentation made at the Geneva Conference in 1955. The selectivity and radiolytic stability of tributylphosphate (T.B.P) clearly appeared to augur an extremely attractive process for completing the separation of valuable elements in the irradiated fuel. The concept has confirmed its validity, and subsequently its ability to adapt to changing requirements or constraints. Its industrial viability is in fact unquestioned today: Purex process is the basis of all the reprocessing plants in operation or planned throughout the world, and recent commissioning of the UP3 plant in France, in remarkable conditions, attests to such a level of maturity that one is tempted to ask the question: ``What remains to be proved, discovered or improved in the core of the Purex process?``. (authors). 7 refs., 4 tabs.
Purex process extraction cycles: a potential for progress today
International Nuclear Information System (INIS)
Boullis, B.; Germain, M.; Goumondy, J.P.; Rouyer, H.
1994-01-01
The Purex process very quickly and very widely supplanted the other concepts considered for nuclear fuel reprocessing after the presentation made at the Geneva Conference in 1955. The selectivity and radiolytic stability of tributylphosphate (T.B.P) clearly appeared to augur an extremely attractive process for completing the separation of valuable elements in the irradiated fuel. The concept has confirmed its validity, and subsequently its ability to adapt to changing requirements or constraints. Its industrial viability is in fact unquestioned today: Purex process is the basis of all the reprocessing plants in operation or planned throughout the world, and recent commissioning of the UP3 plant in France, in remarkable conditions, attests to such a level of maturity that one is tempted to ask the question: ''What remains to be proved, discovered or improved in the core of the Purex process?''. (authors). 7 refs., 4 tabs
Non-equilibrium phase transitions
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.
Progress in a novel architecture for high performance processing
Zhang, Zhiwei; Liu, Meng; Liu, Zijun; Du, Xueliang; Xie, Shaolin; Ma, Hong; Ding, Guangxin; Ren, Weili; Zhou, Fabiao; Sun, Wenqin; Wang, Huijuan; Wang, Donglin
2018-04-01
The high performance processing (HPP) is an innovative architecture which targets on high performance computing with excellent power efficiency and computing performance. It is suitable for data intensive applications like supercomputing, machine learning and wireless communication. An example chip with four application-specific integrated circuit (ASIC) cores which is the first generation of HPP cores has been taped out successfully under Taiwan Semiconductor Manufacturing Company (TSMC) 40 nm low power process. The innovative architecture shows great energy efficiency over the traditional central processing unit (CPU) and general-purpose computing on graphics processing units (GPGPU). Compared with MaPU, HPP has made great improvement in architecture. The chip with 32 HPP cores is being developed under TSMC 16 nm field effect transistor (FFC) technology process and is planed to use commercially. The peak performance of this chip can reach 4.3 teraFLOPS (TFLOPS) and its power efficiency is up to 89.5 gigaFLOPS per watt (GFLOPS/W).
FY09 PROGRESS: MULTI-ISOTOPE PROCESS (MIP) MONITOR
International Nuclear Information System (INIS)
Schwantes, Jon M.; Orton, Christopher R.; Fraga, Carlos G.; Christensen, Richard; Laspe, Amy R.; Ward, Rebecca M.
2009-01-01
Model and experimental estimates of the Multi-Isotope Process Monitor performance for determining burnup after dissolution and acid concentration during solvent extraction steps during reprocessing of spent nuclear fuel are presented. Modern industrial reprocessing techniques, including the PUREX and UREX+ family of separations technologies, are based on solvent extraction between organic and aqueous phases. In these bi-phase systems, product (actinide) and contaminant (fission and activation products) elements are preferentially driven (thermodynamically) to opposite phases, with small amounts of each remaining in the other phase. The distribution of each element, between the organic and aqueous phases, is determined by major process variables such as acid concentration, organic ligand concentration, reduction potential, and temperature. Hence, for consistent performance of the separation process, the distribution of each element between the organic and aqueous phases should be relatively constant. During 'normal' operations the pattern of elements distributing into the product and waste streams at each segment of the facility should be reproducible, resulting in a statistically significant signature of the nominal process conditions. Under 'abnormal' conditions, such as those expected under some protracted diversion scenarios, patterns of elements within the various streams would be expected to change measurably. The MIP monitoring approach utilizes changes in the concentrations of gamma-emitting elements as evidence of changes to the process chemistry. It exploits a suite of gamma emitting isotopes to track multiple chemical species and behaviors simultaneously, thus encompassing a large array of elements that are affected by chemical and physical changes. In-process surveillance by the MIP monitor is accomplished by coupling the gamma spectrometry of the streams with multivariate techniques, such as Principal Component Analysis (PCA). PCA is a chemometrics tool
Bose, Deepak
2012-01-01
The design of entry vehicles requires predictions of aerothermal environment during the hypersonic phase of their flight trajectories. These predictions are made using computational fluid dynamics (CFD) codes that often rely on physics and chemistry models of nonequilibrium processes. The primary processes of interest are gas phase chemistry, internal energy relaxation, electronic excitation, nonequilibrium emission and absorption of radiation, and gas-surface interaction leading to surface recession and catalytic recombination. NASAs Hypersonics Project is advancing the state-of-the-art in modeling of nonequilibrium phenomena by making detailed spectroscopic measurements in shock tube and arcjets, using ab-initio quantum mechanical techniques develop fundamental chemistry and spectroscopic databases, making fundamental measurements of finite-rate gas surface interactions, implementing of detailed mechanisms in the state-of-the-art CFD codes, The development of new models is based on validation with relevant experiments. We will present the latest developments and a roadmap for the technical areas mentioned above
Progress on China nuclear data processing code system
Liu, Ping; Wu, Xiaofei; Ge, Zhigang; Li, Songyang; Wu, Haicheng; Wen, Lili; Wang, Wenming; Zhang, Huanyu
2017-09-01
China is developing the nuclear data processing code Ruler, which can be used for producing multi-group cross sections and related quantities from evaluated nuclear data in the ENDF format [1]. The Ruler includes modules for reconstructing cross sections in all energy range, generating Doppler-broadened cross sections for given temperature, producing effective self-shielded cross sections in unresolved energy range, calculating scattering cross sections in thermal energy range, generating group cross sections and matrices, preparing WIMS-D format data files for the reactor physics code WIMS-D [2]. Programming language of the Ruler is Fortran-90. The Ruler is tested for 32-bit computers with Windows-XP and Linux operating systems. The verification of Ruler has been performed by comparison with calculation results obtained by the NJOY99 [3] processing code. The validation of Ruler has been performed by using WIMSD5B code.
Research progress on trifluoromethyl-based radical reaction process
Song, Hao
2017-12-01
Due to the unique properties imparted by the trifluoromethyl group, such as high electron density and strong lipotropy, which effectively improve acidity, lipophilicity and metabolic stability of the molecule itself, trifluoromethyl-substituted organic compounds are becoming increasingly important as structural motifs in pharmaceuticals, agrochemicals and organic materials. In this review, we present several methods developed for the direct introduction of a trifluoromethyl group, beginning with its rich and storied history. Then the present article addresses mechanism and process in carbon-carbon bond forming reaction based on radical process which is divided into three parts according to the way of CF3 radical generation. Finally, challenges and opportunities of researches on trifluoromethylation reactions facing are prospected.
Parton dynamics in hadronic processes. Technical progress report
International Nuclear Information System (INIS)
Sukhatme, U.P.
1985-02-01
We have studied the production of strangeness, charm and other heavy flavors in hadronic collisions in the framework of the dual parton model. This model allows us to understand why heavy flavors have ''delayed thresholds'' and noticeable production at large x values. We have also studied the leading particle effect in a variety of processes. We suggest the intriguing possibility that certain experimentally feasible non-diffractive processes involving soft gluons might have forward ''diffraction-like'' peak as x → 1. Finally, we have extended the techniques previously developed by us to get accurate analytic expressions for energy eigenstates. This enables us to get much-improved expansions for bound state wave functions, which compare remarkably well with numerical computations. 9 refs
Progress of electron processing system useful for environmental preservation
International Nuclear Information System (INIS)
Hoshi, Yasuhisa
1998-01-01
Electron Processing has been used in the field of industrial application, mainly to process plastics or polymers, which is represented by the cross-linking of Polyethylene to improve heat resistance. On the other hand, there has been many research studies to use Electron Beam for an environmental preservation. Typical examples are Sterilization of Food, Flue Gas Treatment, Sterilization of Waste Water Sludge, Purification of Water, Removal of Volatile Organic Compound (VOC), etc. These research works have been done in the USA, Germany, Austria, Japan, etc. They reported some of the features of electron beam method. In addition, there is an unique report that the combination of Ozone and Electron Beam provides a better efficiency of the purification of the water. Recently, they have started the investigation for the practical use of Electron Beam in the environmental application. Flue gas treatment is a remarkable example of the investigation. They built the demonstration plant last year and they started the operation last fall. Presently, the system is in a demonstrative operation. This paper will report an outline of the R and D works of environmental applications of Electron Beam and also will introduce the latest technologies of Electron Processing Systems which will be available for the environmental preservation. (author)
RECENT PROGRESS IN DYNAMIC PROCESS SIMULATION OF CRYOGENIC REFRIGERATORS
International Nuclear Information System (INIS)
Kuendig, A.
2008-01-01
At the CEC 2005 a paper with the title ''Helium refrigerator design for pulsed heat load in Tokamaks'' was presented. That paper highlighted the control requirements for cryogenic refrigerators to cope with the expected load variations of future nuclear fusion reactors. First dynamic computer simulations have been presented.In the mean time, the computer program is enhanced and a new series of process simulations are available. The new program considers not only the heat flows and the temperature variations within the heat exchangers, but also the variation of mass flows and pressure drops. The heat transfer numbers now are calculated in dependence of the flow speed and the gas properties. PI-controllers calculate the necessary position of specific valves for maintaining pressures, temperatures and the rotation speed of turbines.Still unsatisfactory is the fact, that changes in the process arrangement usually are attended by adjustments in the program code. It is the main objective of the next step of development a more flexible code which enables that any user defined process arrangements can be assembled by input data
Non-equilibrium supramolecular polymerization.
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.
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
Progress in fuel processing for PEMFC systems for transport applications
Energy Technology Data Exchange (ETDEWEB)
Dams, A J; Hayter, P R; Moore, S C
1998-07-01
Wellman CJB Limited has been developing fuel processors for PEMFC systems for transport applications using a range of feedstocks. Feedstocks that can be processed to produce a hydrogen-rich gas stream suitable for use with a PEMFC include methanol, gasoline, diesel, LPG, dimethylether, marine diesel and aviation fuel. The basic fuel processor is a steam reformer combined with a selective carbon monoxide oxidation stage. Depending on the nature of the liquid feedstock, other process steps will be required such as vaporizer, desulfurizer, pre-reformer and high and low temperature shift reactors. Work on methanol reforming has been specifically targeted at a PEMFC driven passenger car as part of a multinational European Community JOULE programme called MERCATOX. The objective is to develop and test a compact and fast response methanol reformer and gas clean-up unit to meet a car manufacturer's specification. The method of construction is to coat a methanol reforming catalyst onto one side of a metal corrugated plate. On the other side is a coated combustion catalyst which burns fuel cell off-gas to provide the endothermic heat for the methanol reforming reaction. A number of these plates are assembled in a compact unit ensuring good heat transfer. The gas clean-up unit is similarly constructed with a selective oxidation catalyst on one side and a thermal fluid on the other. Initial tests have indicated a superior performance to conventional packed bed reformers in terms of response and start-up time. Steam reforming of gasoline, diesel, LPG, dimethylether, marine diesel and aviation fuel has been demonstrated on a bench scale (0.5kW). The process steps commence with vaporization (except for LPG), desulfurization (except for dimethylether), prereforming, reforming, low and high temperature shift and selective oxidation. A simple technology demonstrator has shown that a hydrogen-rich mixture (75% hydrogen, 25% carbon dioxide) with less than 2ppm carbon monoxide can be
USGCRP's Sustained Assessment Process: Progress to date and future plans
DeAngelo, B. J.; Reidmiller, D.; Lipschultz, F.; Cloyd, E. T.
2016-12-01
One of the four main objectives of the U.S. Global Change Research Program's (USGCRP's) Strategic Plan is to "Conduct Sustained Assessments", which seeks to build a process that synthesizes and advances the state of scientific knowledge on global change, develops future scenarios and potential impacts, and evaluates how effectively science is being and can be used to inform and support the Nation's response to climate change. To do so, USGCRP strives to establish a standing capacity to conduct national climate assessments with sectoral and regional information to evaluate climate risks and opportunities, and to inform decision-making, especially with regard to resiliency planning and adaptation measures. Building on the success of the 3rd National Climate Assessment (NCA) (2014), we discuss the range of USGCRP activities that embody the sustained assessment concept. Special reports, such as the recent Climate and Human Health Assessment and upcoming Climate Science Special Report, fill gaps in our understanding and provide crucial building blocks for next NCA report (NCA4). To facilitate the use of consistent assumptions across NCA4, new scenario products for climate, population, and land use will be made available through initiatives such as NOAA's Climate Resilience Toolkit. NCA4 will be informed by user engagement to advance the customization of knowledge. The report will strive to advance our ability to quantify various risks, monetize certain impacts, and communicate the benefits (i.e., avoided impacts) of various mitigation pathways. NCAnet (a national network of climate-interested stakeholders) continues to grow and foster collaborations across levels of governance and within civil society. Finally, USGCRP continues to actively engage with other assessment processes, at international, state, city, and tribal levels, to exchange ideas and to facilitate the potential for "linked" assessments across spatial scales.
International Nuclear Information System (INIS)
Swinney, H.L.; Swift, J.
1987-01-01
This progress report summarizes the principal accomplishments dealing with perturbation and characterization of nonlinear processes. Topics of research include Lyapunov equations, mutual information and metric entropy, the dimensions, complex dynamics and transition sequences and spatial patterns
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.
Progress and improvement of the manufacturing process of snake antivenom
Directory of Open Access Journals (Sweden)
Zolfagharian H.
2013-05-01
Full Text Available Antivenoms have been used successfully for more than a century and up to now constitute the only effectivetreatment for snakebites .The production of antivenin started long time ago when the calmette was preparedthe antivenom in 1894.The method currently used to prepare antivenom by most of the manufacturers areoriginated from the method of Pope which was develop in 1938. Several new approaches in the production ofantivenom have been proposed to produce IgG, F(ab2, F(ab antivenin to improve their quality .Theseimprovement include complete or partial modification in the antivenom production regarding animal,immunization protocols , new adjuvants in hyperimmunization of animals , purification processes ( caprylicacid ,chromatography , diafiltration and ulterafiltration ,enzymatic digestion of IgG (pepsin, papain andfractionation of venom .When the IgG is digested enzymatically, different fragments are obtained depending on the enzyme used, that is, if papain is used, three fragments are obtained, the crystallizing fragment (Fc and two antigen-binding fragments F(ab and, if pepsin is used, one F(ab'2 fragment is obtained, while thecrystallizing fragment is digested. Fab and F(ab2 fragments conserve their capacity to specifically bind to the antigen that gave rise to them.
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
Energy Technology Data Exchange (ETDEWEB)
1981-01-01
This report summarizes the progress of the Solvent Refined Coal (SRC) project at the SRC Pilot Plant in Fort Lewis, Wahsington, and the Process Development Unit (P-99) in Harmarville, Pennsylvania. After the remaining runs of the slurry preheater survey test program were completed January 14, the Fort Lewis Pilot Plant was shut down to inspect Slurry Preheater B and to insulate the coil for future testing at higher rates of heat flux. Radiographic inspection of the coil showed that the welds at the pressure taps and the immersion thermowells did not meet design specifications. Slurry Preheater A was used during the first 12 days of February while weld repairs and modifications to Slurry Preheater B were completed. Two attempts to complete a material balance run on Powhatan No. 6 Mine coal were attempted but neither was successful. Slurry Preheater B was in service the remainder of the quarter. The start of a series of runs at higher heat flux was delayed because of plugging in both the slurry and the hydrogen flow metering systems. Three baseline runs and three slurry runs of the high heat flux program were completed before the plant was shut down March 12 for repair of the Inert Gas Unit. Attempts to complete a fourth slurry run at high heat flux were unsuccessful because of problems with the coal feed handling and the vortex mix systems. Process Development Unit (P-99) completed three of the four runs designed to study the effect of dissolver L/D ratio. The fourth was under way at the end of the period. SRC yield correlations have been developed that include coal properties as independent variables. A preliminary ranking of coals according to their reactivity in PDU P-99 has been made. Techniques for studying coking phenomenona are now in place.
Forces and energy dissipation in inhomogeneous non-equilibrium superconductors
International Nuclear Information System (INIS)
Poluehktov, Yu.M.; Slezov, V.V.
1987-01-01
The phenomenological theory of volume forces and dissipation processes in inhomogeneous non-equilibrium superconductors near temperature transition from the normal to superconducting state is constructed. The approach is based on application of dynamic equations of superconductivity formulated on the basis of the Lagrangian formalism. These equations are generalized the Ginzburg-Landau theory in the nonstationary non-equilibrium case for ''foul'' superconductors. The value estimations of volume forces arising in inhomogeneities during relaxation of an order parameter and when the electrical field is penetrated into the superconductor, are given
Experimental approaches for studying non-equilibrium atmospheric plasma jets
Energy Technology Data Exchange (ETDEWEB)
Shashurin, A., E-mail: ashashur@purdue.edu [School of Aeronautics & Astronautics, Purdue University, West Lafayette, Indiana 47907 (United States); Keidar, M. [Department of Mechanical and Aerospace Engineering, The George Washington University, Washington, District of Columbia 20052 (United States)
2015-12-15
This work reviews recent research efforts undertaken in the area non-equilibrium atmospheric plasma jets with special focus on experimental approaches. Physics of small non-equilibrium atmospheric plasma jets operating in kHz frequency range at powers around few Watts will be analyzed, including mechanism of breakdown, process of ionization front propagation, electrical coupling of the ionization front with the discharge electrodes, distributions of excited and ionized species, discharge current spreading, transient dynamics of various plasma parameters, etc. Experimental diagnostic approaches utilized in the field will be considered, including Rayleigh microwave scattering, Thomson laser scattering, electrostatic streamer scatterers, optical emission spectroscopy, fast photographing, etc.
Yatsui, Takashi
2017-01-01
This book presents the recent progress in the field of nanophotonics. It contains review-like chapters focusing on various but mutually related topics in nanophotonics written by the world’s leading scientists. Following the elaboration of the idea of nanophotonics, much theoretical and experimental work has been carried out, and several novel photonic devices, high-resolution fabrication, highly efficient energy conversion, and novel information processing have been developed in these years. Novel theoretical models describing the nanometric light-matter interaction, nonequilibrium statistical mechanical models for photon breeding processes and near-field‐assisted chemical reactions as well as light‐matter interaction are also explained in this book. It describes dressed photon technology and its applications, including implementation of nanophotonic devices and systems, fabrication methods and performance characteristics of ultrathin, ultraflexible organic light‐emitting diodes, organic solar cells ...
McDonald, Robert Christopher
The purpose of this study was to explore the process of developing a learning progression (LP) on constructing explanations about sea level rise. I used a learning progressions theoretical framework informed by the situated cognition learning theory. During this exploration, I explicitly described my decision-making process as I developed and revised a hypothetical learning progression. Correspondingly, my research question was: What is a process by which a hypothetical learning progression on sea level rise is developed into an empirical learning progression using learners' explanations? To answer this question, I used a qualitative descriptive single case study with multiple embedded cases (Yin, 2014) that employed analytic induction (Denzin, 1970) to analyze data collected on middle school learners (grades 6-8). Data sources included written artifacts, classroom observations, and semi-structured interviews. Additionally, I kept a researcher journal to track my thinking about the learning progression throughout the research study. Using analytic induction to analyze collected data, I developed eight analytic concepts: participant explanation structures varied widely, global warming and ice melt cause sea level rise, participants held alternative conceptions about sea level rise, participants learned about thermal expansion as a fundamental aspect of sea level rise, participants learned to incorporate authentic scientific data, participants' mental models of the ocean varied widely, sea ice melt contributes to sea level rise, and participants held vague and alternative conceptions about how pollution impacts the ocean. I started with a hypothetical learning progression, gathered empirical data via various sources (especially semi-structured interviews), revised the hypothetical learning progression in response to those data, and ended with an empirical learning progression comprising six levels of learner thinking. As a result of developing an empirically based LP
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
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)
Nonequilibrium quantum fluctuations of work.
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.
Recent Progress on Data-Based Optimization for Mineral Processing Plants
Directory of Open Access Journals (Sweden)
Jinliang Ding
2017-04-01
Full Text Available In the globalized market environment, increasingly significant economic and environmental factors within complex industrial plants impose importance on the optimization of global production indices; such optimization includes improvements in production efficiency, product quality, and yield, along with reductions of energy and resource usage. This paper briefly overviews recent progress in data-driven hybrid intelligence optimization methods and technologies in improving the performance of global production indices in mineral processing. First, we provide the problem description. Next, we summarize recent progress in data-based optimization for mineral processing plants. This optimization consists of four layers: optimization of the target values for monthly global production indices, optimization of the target values for daily global production indices, optimization of the target values for operational indices, and automation systems for unit processes. We briefly overview recent progress in each of the different layers. Finally, we point out opportunities for future works in data-based optimization for mineral processing plants.
Nonequilibrium free diffusion in seed leachate
Ortiz G., Luis; Riquelme P., Pablo; Guzmán, R.
2013-11-01
In this work, we use a Schlieren-like Near Field Scattering (SNFS) setup to study nonequilibrium free diffusion behavior of a colloidal solution obtained from seeds leachate. The main objective is to compare the temporal behavior of the diffusion coefficient of seed leachate with an electric conductivity based vigor test. SNFS sizing measurements, based on Mie theory, were carried out to ensure its reliability and sensitivity. Then, we performed a typical nonequilibrium free diffusion experiment of a glycerol-water mixture. In this way, we confirmed that SNFS setup is sensitive to giant concentration fluctuations of nanocolloidal solutions. The results obtained in this stage reproduce properly the data reported elsewhere in literature. Moreover, seed leachate diffuse, in water, in a similar way that glycerol does. In both cases we used the same method (dynamic structure factor) to determine thermo-physical properties. We show that time evolution of diffusion coefficient of Lupinus Albus leachate exhibits three defined regimes as electric conductivity measurements. The results also exhibit a correspondence between the behavior of the diffusion coefficient and electric conductivity values of the two regions in the temporal range studied. Finally, we discuss biological processes involved in germination that could modulate this dependence, and the role played by the electrolytic nature of solutes.
Zhang, Wen-Gang; Linghu, En-Qiang; Chai, Ning-Li; Li, Hui-Kai
2017-05-14
To verify the hypothesis that the Ling classification describes the endoscopic progressive process of achalasia and determine the ability of successful peroral endoscopic myotomy (POEM) to prevent endoscopic progression of achalasia. We retrospectively reviewed the endoscopic findings, symptom duration, and manometric data in patients with achalasia. A total of 359 patients (197 women, 162 men) with a mean age of 42.1 years (range, 12-75 years) were evaluated. Symptom duration ranged from 2 to 360 mo, with a median of 36 mo. Patients were classified with Ling type I ( n = 119), IIa ( n = 106), IIb ( n = 60), IIc ( n = 60), or III ( n = 14), according to the Ling classification. Of the 359 patients, 349 underwent POEM, among whom 21 had an endoscopic follow-up for more than 2 years. Pre-treatment and post-treatment Ling classifications of these 21 patients were compared. Symptom duration increased significantly with increasing Ling classification (from I to III) ( P achalasia and may be able to serve as an endoscopic assessment criterion for achalasia. Successful POEM (Eckardt score ≤ 3) seems to have the ability to prevent endoscopic evolvement of achalasia. However, studies with larger populations are warranted to confirm our findings.
Non-Equilibrium Thermodynamic Chemistry and the Composition of the Atmosphere of Mars
Levine, J. S.; Summers, M. E.
2003-01-01
A high priority objective of the Mars Exploration Program is to Determine if life exists today (MEPAG Goal I, Objective A). The measurement of gases of biogenic origin may be an approach to detect the presence of microbial life on the surface or subsurface of Mars. Chemical thermodynamic calculations indicate that on both Earth and Mars, certain gases should exist in extremely low concentrations, if at all. Microbial metabolic activity is an important non-equilibrium chemistry process on Earth, and if microbial life exists on Mars, may be an important nonequilibrium chemistry process on Mars. The non-equilibrium chemistry of the atmosphere of Mars is discussed in this paper.
Real-time progressive hyperspectral image processing endmember finding and anomaly detection
Chang, Chein-I
2016-01-01
The book covers the most crucial parts of real-time hyperspectral image processing: causality and real-time capability. Recently, two new concepts of real time hyperspectral image processing, Progressive Hyperspectral Imaging (PHSI) and Recursive Hyperspectral Imaging (RHSI). Both of these can be used to design algorithms and also form an integral part of real time hyperpsectral image processing. This book focuses on progressive nature in algorithms on their real-time and causal processing implementation in two major applications, endmember finding and anomaly detection, both of which are fundamental tasks in hyperspectral imaging but generally not encountered in multispectral imaging. This book is written to particularly address PHSI in real time processing, while a book, Recursive Hyperspectral Sample and Band Processing: Algorithm Architecture and Implementation (Springer 2016) can be considered as its companion book. Includes preliminary background which is essential to those who work in hyperspectral ima...
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.
Nonequilibrium Green function techniques applied to hot electron quantum transport
International Nuclear Information System (INIS)
Jauho, A.P.
1989-01-01
During the last few years considerable effort has been devoted to deriving quantum transport equations for semiconductors under extreme conditions (high electric fields, spatial quantization in one or two directions). Here we review the results obtained with nonequilibrium Green function techniques as formulated by Baym and Kadanoff, or by Keldysh. In particular, the following topics will be discussed: (i) Systematic approaches to reduce the transport equation governing the correlation function to a transport equation for the Wigner function; (ii) Approximations reducing the nonmarkovian quantum transport equation to a numerically tractable form, and results for model semiconductors; (iii) Recent progress in extending the formalism to inhomogeneous systems; and (iv) Nonequilibrium screening. In all sections we try to direct the reader's attention to points where the present understanding is (at best) incomplete, and indicate possible lines for future work. (orig.)
Kusaba, Akira; Li, Guanchen; von Spakovsky, Michael R.; Kangawa, Yoshihiro; Kakimoto, Koichi
2017-01-01
Clearly understanding elementary growth processes that depend on surface reconstruction is essential to controlling vapor-phase epitaxy more precisely. In this study, ammonia chemical adsorption on GaN(0001) reconstructed surfaces under metalorganic vapor phase epitaxy (MOVPE) conditions (3Ga-H and Nad-H + Ga-H on a 2 × 2 unit cell) is investigated using steepest-entropy-ascent quantum thermodynamics (SEAQT). SEAQT is a thermodynamic-ensemble based, first-principles framework that can predict...
Non-equilibrium in flowing atmospheric plasmas
International Nuclear Information System (INIS)
Haas, J.C.M. de.
1986-01-01
This thesis deals with the fundamental aspects of two different plasmas applied in technological processes. The first one is the cesium seeded argon plasma in a closed cycle Magnetohydrodynamic (MHD) generator, the second is the thermal argon plasma in a cascade arc with an imposed flow. In Chapter 2 the influence of non-equilibrium on the mass and energy balances of a plasma is worked out. The general theory presented there can be applied to both the plasma in an MHD generator and to the cascade arc with imposed flow. Introductions to these plasmas are given in the Chapters 3 and 6 respectively. These chapters are both followed by two chapters which treat the theoretical and the experimental investigations. The results are summarized in Chapter 9. (Auth.)
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)
Stochastic approach to equilibrium and nonequilibrium thermodynamics.
Tomé, Tânia; de Oliveira, Mário J
2015-04-01
We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.
Progress and safety aspects in process heat utilization from nuclear systems
International Nuclear Information System (INIS)
Barnert, H.
1995-01-01
Report about the Status and the Progress in the Various Programs and Projects in the Federal Republic of Germany in Process Heat Utilization from the High Temperature Reactor and on Recent Changes of the Atomic Law in the Federal Republic of Germany with Big Influence on the Safety of Nuclear Energy Technology. (author)
Lee, Tae Kyoung; Wickrama, K. A. S.; Simons, Leslie Gordon
2013-01-01
Research has documented the relationship between family stressors such as family economic hardship and marital conflict and adolescents' mental health symptoms, especially depressive symptoms. Few studies, however, have examined the processes whereby supportive parenting lessens this effect and the progression of mental health and physical health…
Directory of Open Access Journals (Sweden)
Logan D. R. Beal
2017-12-01
Full Text Available Performance of integrated production scheduling and advanced process control with disturbances is summarized and reviewed with four progressive stages of scheduling and control integration and responsiveness to disturbances: open-loop segregated scheduling and control, closed-loop segregated scheduling and control, open-loop scheduling with consideration of process dynamics, and closed-loop integrated scheduling and control responsive to process disturbances and market fluctuations. Progressive economic benefit from dynamic rescheduling and integrating scheduling and control is shown on a continuously stirred tank reactor (CSTR benchmark application in closed-loop simulations over 24 h. A fixed horizon integrated scheduling and control formulation for multi-product, continuous chemical processes is utilized, in which nonlinear model predictive control (NMPC and continuous-time scheduling are combined.
The role of technical progress in the process of recalculating oil reserves
International Nuclear Information System (INIS)
Boulard, J.N.
1999-01-01
Contrary to the concept of resources (which is essentially a geological one), the notion of reserves designates the quantities that are technically and economically recoverable. Beyond the production-related effect, the reserves therefore evolve over time in accordance with numerous technical and economic parameters. Among these parameters, it can be seen that technical progress plays a considerable role throughout the process of converting resources into reserves, including progress in the identification, accessibility and processing of the resources, and improvements in economic viability. After having tackled the problem of measuring the 'technical progress effects' and citing examples, we demonstrate that the evolution in oil reserves is subject to three types of impact. These are a quantitative impact by significantly improving the recovery rates or making it possible to identify hitherto undetectable oil fields, a qualitative impact by widening the resource base thanks to the adoption of new categories of oil (in particular the so-called 'unconventional' oils) and by carrying out the gradual substitution between these resources of differing qualities. There is also a dynamic impact, through the acceleration of resource availability. Through these three approaches, technical progress makes makes it possible to ensure continuity in oil supply and contributes significantly to the recalculation of reserves. It therefore acts as a compensating factor, counterbalancing the progressive depletion of resources. (author)
Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation
Grossman, B.; Cinnella, P.
1990-01-01
The present consideration of numerical computation methods for gas flows with nonequilibrium chemistry thermodynamics gives attention to an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Flux-splitting procedures are developed for the fully-coupled inviscid equations encompassing fluid dynamics and both chemical and internal energy-relaxation processes. A fully coupled and implicit large-block structure is presented which embodies novel forms of flux-vector split and flux-difference split algorithms valid for nonequilibrium flow; illustrative high-temperature shock tube and nozzle flow examples are given.
Mobility as Progressivity: Ranking Income Processes According to Equality of Opportunity
Roland Benabou; Efe A. Ok
2001-01-01
Interest in economic mobility stems largely from its perceived role as an equalizer of opportunities, though not necessarily of outcomes. In this paper we show that this view leads very naturally to a methodology for the measurement of social mobility which has strong parallels with the theory of progressive taxation. We characterize opportunity--equalizing mobility processes, and provide simple criteria to determine when one process is more equalizing than another. We then explain how this m...
Yarmohammadian, Mohammad H; Ebrahimipour, Hossein; Doosty, Farzaneh
2014-01-01
In a world of continuously changing business environments, organizations have no option; however, to deal with such a big level of transformation in order to adjust the consequential demands. Therefore, many companies need to continually improve and review their processes to maintain their competitive advantages in an uncertain environment. Meeting these challenges requires implementing the most efficient possible business processes, geared to the needs of the industry and market segments that the organization serves globally. In the last 10 years, total quality management, business process reengineering, and business process management (BPM) have been some of the management tools applied by organizations to increase business competiveness. This paper is an original article that presents implementation of "BPM" approach in the healthcare domain that allows an organization to improve and review its critical business processes. This project was performed in "Qaem Teaching Hospital" in Mashhad city, Iran and consists of four distinct steps; (1) identify business processes, (2) document the process, (3) analyze and measure the process, and (4) improve the process. Implementing BPM in Qaem Teaching Hospital changed the nature of management by allowing the organization to avoid the complexity of disparate, soloed systems. BPM instead enabled the organization to focus on business processes at a higher level.
Non-dissipative effects in nonequilibrium systems
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.
Recent progress of partitioning process in JAERI: development of amide-based artist process
International Nuclear Information System (INIS)
Shoichi, Tachimori; Yuji, Sasaki; Yasuji, Morita; Shin-ichi, Suzuki
2003-01-01
A branched-alkyl monoamide which extracts An(VI) exclusively by the steric effect and tridentate diglycol-amide; TODGA, which recovers all actinides and Sr(II) from highly acidic waste solutions, were developed. Then, a new chemical process, ARTIST process, is proposed for the treatment of nuclear spent fuel consolidating plutonium management and the partitioning concept. (author)
Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.
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.
Non-equilibrium statistical physics with application to disordered systems
Cáceres, Manuel Osvaldo
2017-01-01
This textbook is the result of the enhancement of several courses on non-equilibrium statistics, stochastic processes, stochastic differential equations, anomalous diffusion and disorder. The target audience includes students of physics, mathematics, biology, chemistry, and engineering at undergraduate and graduate level with a grasp of the basic elements of mathematics and physics of the fourth year of a typical undergraduate course. The little-known physical and mathematical concepts are described in sections and specific exercises throughout the text, as well as in appendices. Physical-mathematical motivation is the main driving force for the development of this text. It presents the academic topics of probability theory and stochastic processes as well as new educational aspects in the presentation of non-equilibrium statistical theory and stochastic differential equations.. In particular it discusses the problem of irreversibility in that context and the dynamics of Fokker-Planck. An introduction on fluc...
The entropy concept for non-equilibrium 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.
Non-equilibrium Quasi-Chemical Nucleation Model
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.
Nonequilibrium fluctuations in a resistor.
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.
Complex Dynamics in Nonequilibrium Economics and Chemistry
Wen, Kehong
Complex dynamics provides a new approach in dealing with economic complexity. We study interactively the empirical and theoretical aspects of business cycles. The way of exploring complexity is similar to that in the study of an oscillatory chemical system (BZ system)--a model for modeling complex behavior. We contribute in simulating qualitatively the complex periodic patterns observed from the controlled BZ experiments to narrow the gap between modeling and experiment. The gap between theory and reality is much wider in economics, which involves studies of human expectations and decisions, the essential difference from natural sciences. Our empirical and theoretical studies make substantial progress in closing this gap. With the help from the new development in nonequilibrium physics, i.e., the complex spectral theory, we advance our technique in detecting characteristic time scales from empirical economic data. We obtain correlation resonances, which give oscillating modes with decays for correlation decomposition, from different time series including S&P 500, M2, crude oil spot prices, and GNP. The time scales found are strikingly compatible with business experiences and other studies in business cycles. They reveal the non-Markovian nature of coherent markets. The resonances enhance the evidence of economic chaos obtained by using other tests. The evolving multi-humped distributions produced by the moving-time -window technique reveal the nonequilibrium nature of economic behavior. They reproduce the American economic history of booms and busts. The studies seem to provide a way out of the debate on chaos versus noise and unify the cyclical and stochastic approaches in explaining business fluctuations. Based on these findings and new expectation formulation, we construct a business cycle model which gives qualitatively compatible patterns to those found empirically. The soft-bouncing oscillator model provides a better alternative than the harmonic oscillator
Discussions on the non-equilibrium effects in the quantitative phase field model of binary alloys
International Nuclear Information System (INIS)
Zhi-Jun, Wang; Jin-Cheng, Wang; Gen-Cang, Yang
2010-01-01
All the quantitative phase field models try to get rid of the artificial factors of solutal drag, interface diffusion and interface stretch in the diffuse interface. These artificial non-equilibrium effects due to the introducing of diffuse interface are analysed based on the thermodynamic status across the diffuse interface in the quantitative phase field model of binary alloys. Results indicate that the non-equilibrium effects are related to the negative driving force in the local region of solid side across the diffuse interface. The negative driving force results from the fact that the phase field model is derived from equilibrium condition but used to simulate the non-equilibrium solidification process. The interface thickness dependence of the non-equilibrium effects and its restriction on the large scale simulation are also discussed. (cross-disciplinary physics and related areas of science and technology)
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.
Progression Analysis and Stage Discovery in Continuous Physiological Processes Using Image Computing
Directory of Open Access Journals (Sweden)
Ferrucci Luigi
2010-01-01
Full Text Available We propose an image computing-based method for quantitative analysis of continuous physiological processes that can be sensed by medical imaging and demonstrate its application to the analysis of morphological alterations of the bone structure, which correlate with the progression of osteoarthritis (OA. The purpose of the analysis is to quantitatively estimate OA progression in a fashion that can assist in understanding the pathophysiology of the disease. Ultimately, the texture analysis will be able to provide an alternative OA scoring method, which can potentially reflect the progression of the disease in a more direct fashion compared to the existing clinically utilized classification schemes based on radiology. This method can be useful not just for studying the nature of OA, but also for developing and testing the effect of drugs and treatments. While in this paper we demonstrate the application of the method to osteoarthritis, its generality makes it suitable for the analysis of other progressive clinical conditions that can be diagnosed and prognosed by using medical imaging.
Force-dominated non-equilibrium oxidation kinetics of tantalum
International Nuclear Information System (INIS)
Kar, Prasenjit; Wang, Ke; Liang, Hong
2008-01-01
Using a combined electrochemical and mechanical manipulation technique, we compared the equilibrium and non-equilibrium oxidation processes and states of tantalum. Experimentally, a setup was developed with an electrochemical system attached to a sliding mechanical configuration capable of friction force measurement. The surface chemistry of a sliding surface, i.e., tantalum, was modified through the electrolyte. The mechanically applied force was fixed and the dynamics of the surface was monitored in situ through a force sensor. The formation of non-equilibrium oxidation states of tantalum was found in oxidation limiting environment of acetic acid. An oxidative environment of deionized water saturated with KCl was used as comparison. We proposed a modified Arrhenius-Eyring equation in which the mechanical factor was considered. We found that the mechanical energy induced the non-stable-state reactions leading to metastable oxidation states of tantalum. This equation can be used to predict mechanochemical reactions that are important in many industrial applications
Analysis of Atomic Electronic Excitation in Nonequilibrium Air Plasmas
International Nuclear Information System (INIS)
He Xin; Jia Hong-Hui; Yin Hong-Wei; Zhang Hai-Liang; Chang Sheng-Li; Yang Jun-Cai; Dang Wei-Hua
2014-01-01
Electronic excitation of atoms is studied in nonequilibrium air plasmas with the electronic temperature between 8000 K and 20000 K. By using the modified Saha—Boltzmann equation, our simplified method takes into account significant radiative processes and strong self-absorption of the vacuum ultraviolet lines. Calculations are carried out at three trajectory points of the Fire II flight experiment. Good agreement with the detailed collisional-radiative model is obtained, and the performance of this method in applications to highly nonequilibrium conditions is better than Park's quasi-steady-state model and Spradian-9.0. A short discussion on the influence of optical thickness of the vacuum ultraviolet radiation is also given. It costs about 2.9 ms on the average to solve one cell of the shock layer on a low cost computer, which shows that the present method is fast and efficient. (physics of gases, plasmas, and electric discharges)
Optimal control of transitions between nonequilibrium steady states.
Directory of Open Access Journals (Sweden)
Patrick R Zulkowski
Full Text Available Biological systems fundamentally exist out of equilibrium in order to preserve organized structures and processes. Many changing cellular conditions can be represented as transitions between nonequilibrium steady states, and organisms have an interest in optimizing such transitions. Using the Hatano-Sasa Y-value, we extend a recently developed geometrical framework for determining optimal protocols so that it can be applied to systems driven from nonequilibrium steady states. We calculate and numerically verify optimal protocols for a colloidal particle dragged through solution by a translating optical trap with two controllable parameters. We offer experimental predictions, specifically that optimal protocols are significantly less costly than naive ones. Optimal protocols similar to these may ultimately point to design principles for biological energy transduction systems and guide the design of artificial molecular machines.
Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry.
van den Bekerom, Dirk; den Harder, Niek; Minea, Teofil; Gatti, Nicola; Linares, Jose Palomares; Bongers, Waldo; van de Sanden, Richard; van Rooij, Gerard
2017-08-01
A flowing microwave plasma based methodology for converting electric energy into internal and/or translational modes of stable molecules with the purpose of efficiently driving non-equilibrium chemistry is discussed. The advantage of a flowing plasma reactor is that continuous chemical processes can be driven with the flexibility of startup times in the seconds timescale. The plasma approach is generically suitable for conversion/activation of stable molecules such as CO2, N2 and CH4. Here the reduction of CO2 to CO is used as a model system: the complementary diagnostics illustrate how a baseline thermodynamic equilibrium conversion can be exceeded by the intrinsic non-equilibrium from high vibrational excitation. Laser (Rayleigh) scattering is used to measure the reactor temperature and Fourier Transform Infrared Spectroscopy (FTIR) to characterize in situ internal (vibrational) excitation as well as the effluent composition to monitor conversion and selectivity.
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
Nonequilibrium thermodynamics of dilute polymer solutions in flow.
Latinwo, Folarin; Hsiao, Kai-Wen; Schroeder, Charles M
2014-11-07
Modern materials processing applications and technologies often occur far from equilibrium. To this end, the processing of complex materials such as polymer melts and nanocomposites generally occurs under strong deformations and flows, conditions under which equilibrium thermodynamics does not apply. As a result, the ability to determine the nonequilibrium thermodynamic properties of polymeric materials from measurable quantities such as heat and work is a major challenge in the field. Here, we use work relations to show that nonequilibrium thermodynamic quantities such as free energy and entropy can be determined for dilute polymer solutions in flow. In this way, we determine the thermodynamic properties of DNA molecules in strong flows using a combination of simulations, kinetic theory, and single molecule experiments. We show that it is possible to calculate polymer relaxation timescales purely from polymer stretching dynamics in flow. We further observe a thermodynamic equivalence between nonequilibrium and equilibrium steady-states for polymeric systems. In this way, our results provide an improved understanding of the energetics of flowing polymer solutions.
CBCT Post-Processing Tools to Manage the Progression of Invasive Cervical Resorption: A Case Report.
Vasconcelos, Karla de Faria; de-Azevedo-Vaz, Sergio Lins; Freitas, Deborah Queiroz; Haiter-Neto, Francisco
2016-01-01
This case report aimed to highlight the usefulness of cone beam computed tomography (CBCT) and its post-processing tools for the diagnosis, follow-up and treatment planning of invasive cervical resorption (ICR). A 16-year-old female patient was referred for periapical radiographic examination, which revealed an irregular but well demarcated radiolucency in the mandibular right central incisor. In addition, CBCT scanning was performed to distinguish between ICR and internal root resorption. After the diagnosis of ICR, the patient was advised to return shortly but did so only six years later. At that time, another CBCT scan was performed and CBCT registration and subtraction were done to document lesion progress. These imaging tools were able to show lesion progress and extent clearly and were fundamental for differential diagnosis and treatment decision.
Non-equilibrium dog-flea model
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.
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....
Quantum thermodynamics: a nonequilibrium Green's function approach.
Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael
2015-02-27
We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.
Nonequilibrium landscape theory of neural networks.
Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin
2013-11-05
The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape-flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments.
Nonequilibrium landscape theory of neural networks
Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin
2013-01-01
The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape–flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments. PMID:24145451
Study progression in application of process analytical technologies on film coating
Directory of Open Access Journals (Sweden)
Tingting Peng
2015-06-01
Full Text Available Film coating is an important unit operation to produce solid dosage forms, thereby, the monitoring of this process is helpful to find problems in time and improve the quality of coated products. Traditional methods adopted to monitor this process include measurement of coating weight gain, performance of disintegration and dissolution test, etc. However, not only do these methods cause destruction to the samples, but also consume time and energy. There have recently emerged the applications of process analytical technologies (PAT on film coating, especially some novel spectroscopic and imaging technologies, which have the potential to real-time track the progress in film coating and optimize production efficiency. This article gives an overview on the application of such technologies for film coating, with the goal to provide a reference for the further researches.
Progress on matrix SiC processing and properties for fully ceramic microencapsulated fuel form
International Nuclear Information System (INIS)
Terrani, K.A.; Kiggans, J.O.; Silva, C.M.; Shih, C.; Katoh, Y.; Snead, L.L.
2015-01-01
The consolidation mechanism and resulting properties of the silicon carbide (SiC) matrix of fully ceramic microencapsulated (FCM) fuel form are discussed. The matrix is produced via the nano-infiltration transient eutectic-forming (NITE) process. Coefficient of thermal expansion, thermal conductivity, and strength characteristics of this SiC matrix have been characterized in the unirradiated state. An ad hoc methodology for estimation of thermal conductivity of the neutron-irradiated NITE–SiC matrix is also provided to aid fuel performance modeling efforts specific to this concept. Finally, specific processing methods developed for production of an optimal and reliable fuel form using this process are summarized. These various sections collectively report the progress made to date on production of optimal FCM fuel form to enable its application in light water and advanced reactors
Thermochemical nonequilibrium analysis of O2+Ar based on state-resolved kinetics
International Nuclear Information System (INIS)
Kim, Jae Gang; Boyd, Iain D.
2015-01-01
Highlights: • Thermochemical nonequilibrium studies for three lowest lying electronic states of O 2 . • The complete sets of the rovibrational state-to-state transition rates of O 2 +Ar. • Rovibrational relaxations and coupled chemical reactions of O 2 . • Nonequilibrium reaction rates of O 2 derived from the quasi-steady state assumption. - Abstract: The thermochemical nonequilibrium of the three lowest lying electronic states of molecular oxygen, O 2 (X 3 Σ g - ,a 1 Δ g ,b 1 Σ g + ), through interactions with argon is studied in the present work. The multi-body potential energy surfaces of O 2 +Ar are evaluated from the semi-classical RKR potential of O 2 in each electronic state. The rovibrational states and energies of each electronic state are calculated by the quantum mechanical method based on the present inter-nuclear potential of O 2 . Then, the complete sets of the rovibrational state-to-state transition rate coefficients of O 2 +Ar are calculated by the quasi-classical trajectory method including the quasi-bound states. The system of master equations constructed by the present state-to-state transition rate coefficients are solved to analyze the thermochemical nonequilibrium of O 2 +Ar in various heat bath conditions. From these studies, it is concluded that the vibrational relaxation and coupled chemical reactions of each electronic state needs to be treated as a separate nonequilibrium process, and rotational nonequilibrium needs to be considered at translational temperatures above 10,000 K
Simulation of an Aspheric Glass Lens Forming Behavior in Progressive GMP Process
International Nuclear Information System (INIS)
Chang, Sung Ho; Lee, Young Min; Kang, Jeong Jin; Hong, Seok Kwan; Shin, Gwang Ho; Heo, Young Moo; Jung, Tae Sung
2007-01-01
Recently, GMP(Glass Molding Press) process is mainly used to produce aspheric glass lenses. Because glass lens is heated at high temperature above Tg (Transformation Temperature) for forming the glass, the quality of aspheric glass lens is deteriorated by residual stresses which are generated in a aspheric glass lens after forming. In this study, as a fundamental study to develop the mold for progressive GMP process, we conducted a aspheric glass lens forming simulation. Prior to a aspheric glass lens forming simulation, compression and thermal conductivity tests were carried out to obtain mechanical and thermal properties of K-PBK40 which is newly developed material for precision molding, and flow characteristics of K-PBK40 were obtained at high temperature. Then, using the flow characteristics obtained, compression simulation was carried out and compared with the experimental result for the purpose of verifying the obtained flow characteristics. Finally, a glass lens press simulation in progressive GMP process was carried out and we could forecast the shape of deformed glass lenses and residual stresses contribution in the structure of deformed glass lenses after forming
Scriba, Thomas J; Penn-Nicholson, Adam; Shankar, Smitha; Hraha, Tom; Thompson, Ethan G; Sterling, David; Nemes, Elisa; Darboe, Fatoumatta; Suliman, Sara; Amon, Lynn M; Mahomed, Hassan; Erasmus, Mzwandile; Whatney, Wendy; Johnson, John L; Boom, W Henry; Hatherill, Mark; Valvo, Joe; De Groote, Mary Ann; Ochsner, Urs A; Aderem, Alan; Hanekom, Willem A; Zak, Daniel E
2017-11-01
Our understanding of mechanisms underlying progression from Mycobacterium tuberculosis infection to pulmonary tuberculosis disease in humans remains limited. To define such mechanisms, we followed M. tuberculosis-infected adolescents longitudinally. Blood samples from forty-four adolescents who ultimately developed tuberculosis disease (“progressors”) were compared with those from 106 matched controls, who remained healthy during two years of follow up. We performed longitudinal whole blood transcriptomic analyses by RNA sequencing and plasma proteome analyses using multiplexed slow off-rate modified DNA aptamers. Tuberculosis progression was associated with sequential modulation of immunological processes. Type I/II interferon signalling and complement cascade were elevated 18 months before tuberculosis disease diagnosis, while changes in myeloid inflammation, lymphoid, monocyte and neutrophil gene modules occurred more proximally to tuberculosis disease. Analysis of gene expression in purified T cells also revealed early suppression of Th17 responses in progressors, relative to M. tuberculosis-infected controls. This was confirmed in an independent adult cohort who received BCG re-vaccination; transcript expression of interferon response genes in blood prior to BCG administration was associated with suppression of IL-17 expression by BCG-specific CD4 T cells 3 weeks post-vaccination. Our findings provide a timeline to the different immunological stages of disease progression which comprise sequential inflammatory dynamics and immune alterations that precede disease manifestations and diagnosis of tuberculosis disease. These findings have important implications for developing diagnostics, vaccination and host-directed therapies for tuberculosis. Clincialtrials.gov, NCT01119521.
Directory of Open Access Journals (Sweden)
Rafał Longwic
2017-06-01
Full Text Available The authors’ tests results on the impact of the guiding system (the guides contamination in the friction lift on the delay of progressive gears braking process are presented in this article. The tests were conducted using a free fall method and a test bench built for that purpose. In order to render all working conditions the guiding system of tested gears was lubricated with the most commonly used lubricating agents. Solid grease (SM, mineral oil (OL, the mixture of solid grease and quartz sand (S50 as well as the mixture of mineral oil and quartz sand (O50 were used.
Aeroacoustic and aerodynamic applications of the theory of nonequilibrium thermodynamics
Horne, W. Clifton; Smith, Charles A.; Karamcheti, Krishnamurty
1991-01-01
Recent developments in the field of nonequilibrium thermodynamics associated with viscous flows are examined and related to developments to the understanding of specific phenomena in aerodynamics and aeroacoustics. A key element of the nonequilibrium theory is the principle of minimum entropy production rate for steady dissipative processes near equilibrium, and variational calculus is used to apply this principle to several examples of viscous flow. A review of nonequilibrium thermodynamics and its role in fluid motion are presented. Several formulations are presented of the local entropy production rate and the local energy dissipation rate, two quantities that are of central importance to the theory. These expressions and the principle of minimum entropy production rate for steady viscous flows are used to identify parallel-wall channel flow and irrotational flow as having minimally dissipative velocity distributions. Features of irrotational, steady, viscous flow near an airfoil, such as the effect of trailing-edge radius on circulation, are also found to be compatible with the minimum principle. Finally, the minimum principle is used to interpret the stability of infinitesimal and finite amplitude disturbances in an initially laminar, parallel shear flow, with results that are consistent with experiment and linearized hydrodynamic stability theory. These results suggest that a thermodynamic approach may be useful in unifying the understanding of many diverse phenomena in aerodynamics and aeroacoustics.
Fluctuations When Driving Between Nonequilibrium Steady States
Riechers, Paul M.; Crutchfield, James P.
2017-08-01
Maintained by environmental fluxes, biological systems are thermodynamic processes that operate far from equilibrium without detailed-balanced dynamics. Yet, they often exhibit well defined nonequilibrium steady states (NESSs). More importantly, critical thermodynamic functionality arises directly from transitions among their NESSs, driven by environmental switching. Here, we identify the constraints on excess heat and dissipated work necessary to control a system that is kept far from equilibrium by background, uncontrolled "housekeeping" forces. We do this by extending the Crooks fluctuation theorem to transitions among NESSs, without invoking an unphysical dual dynamics. This and corresponding integral fluctuation theorems determine how much work must be expended when controlling systems maintained far from equilibrium. This generalizes thermodynamic feedback control theory, showing that Maxwellian Demons can leverage mesoscopic-state information to take advantage of the excess energetics in NESS transitions. We also generalize an approach recently used to determine the work dissipated when driving between functionally relevant configurations of an active energy-consuming complex system. Altogether, these results highlight universal thermodynamic laws that apply to the accessible degrees of freedom within the effective dynamic at any emergent level of hierarchical organization. By way of illustration, we analyze a voltage-gated sodium ion channel whose molecular conformational dynamics play a critical functional role in propagating action potentials in mammalian neuronal membranes.
Energy Technology Data Exchange (ETDEWEB)
Wilke, C.R.
1978-09-01
Progress is reported in studies on the pretreatment of cellulosic materials to facilitate enzymatic hydrolysis, sulfuric acid hydrolysis, investigation of the Purdue processing scheme including an economic analysis, and the fermentability of the enzymatic hydrolyzate. Progress is also reported on enzyme fermentation studies, hydrolysis reactor development, and utilization of hemicellulose sugars. (JSR)
The Process-Oriented Simulation (POS) model for common cause failures: recent progress
International Nuclear Information System (INIS)
Berg, H.P.; Goertz, R.; Schimetschka, E.; Kesten, J.
2006-01-01
A common-cause failure (CCF) model based on stochastic simulation has been developed to complement the established approaches and to overcome some of their shortcomings. Reflecting the models proximity to the CCF process it was called Process Oriented Simulation (POS) Model. In recent years, some progress has been made to render the POS model fit for practical applications comprising the development of parameter estimates and a number of test applications in areas where results were already available - especially from CCF benchmarks - and comparison can provide insights in strong and weak points of the different approaches. In this paper, a detailed description of the POS model is provided together with the approach to parameter estimation and representative test applications. It is concluded, that the POS model has a number of strengths - especially the feature to provide reasonable extrapolation to CCF groups with high degrees of redundancy - and thus a considerable potential to complement the insights obtained from existing modeling. (orig.)
Progress in centralised ethics review processes: Implications for multi-site health evaluations.
Prosser, Brenton; Davey, Rachel; Gibson, Diane
2015-04-01
Increasingly, public sector programmes respond to complex social problems that intersect specific fields and individual disciplines. Such responses result in multi-site initiatives that can span nations, jurisdictions, sectors and organisations. The rigorous evaluation of public sector programmes is now a baseline expectation. For evaluations of large and complex multi-site programme initiatives, the processes of ethics review can present a significant challenge. However in recent years, there have been new developments in centralised ethics review processes in many nations. This paper provides the case study of an evaluation of a national, inter-jurisdictional, cross-sector, aged care health initiative and its encounters with Australian centralised ethics review processes. Specifically, the paper considers progress against the key themes of a previous five-year, five nation study (Fitzgerald and Phillips, 2006), which found that centralised ethics review processes would save time, money and effort, as well as contribute to more equitable workloads for researchers and evaluators. The paper concludes with insights for those charged with refining centralised ethics review processes, as well as recommendations for future evaluators of complex multi-site programme initiatives. Copyright © 2015 Elsevier Ltd. All rights reserved.
Recent progress in thin film processing by magnetron sputtering with plasma diagnostics
International Nuclear Information System (INIS)
Han, Jeon G
2009-01-01
The precise control of the structure and related properties becomes crucial for sophisticated applications of thin films deposited by magnetron sputtering in emerging industries including the flat panel display, digital electronics and nano- and bio-industries. The film structure is closely related to the total energy delivered to the substrate surface for nucleation and growth during all kinds of thin film processes, including magnetron sputtering. Therefore, the energy delivered to the surface for nucleation and growth during magnetron sputtering should be measured and analysed by integrated diagnostics of the plasma parameters which are closely associated with the process parameters and other external process conditions. This paper reviews the background of thin film nucleation and growth, the status of magnetron sputtering technology and the progress of plasma diagnostics for plasma processing. The evolution of the microstructure during magnetron sputtering is then discussed with respect to the change in the process variables in terms of the plasma parameters along with empirical data of the integrated plasma diagnostics for various magnetron sputtering conditions with conventional dc, pulsed dc and high power pulsed dc sputtering modes. Among the major energy terms to be discussed are the temperature change in the top surface region and the energies of ions and neutral species. (topical review)
International Nuclear Information System (INIS)
Heil, T.G.
1984-01-01
The research done under this contract should provide valuable contributions to our understanding of atomic collision processes. The essence of this project is the description of low energy atomic collision process using molecular states formed by the collision partners in the interaction region. Over the eight months that this contract has been in effect, significant progress has been made on both fundamental and applied levels. On the most basic level, we have recently developed a new diabatic representation of the scattering which has none of the defects associated with the most commonly used formulation of Smith. This may prove to be of great importance since a proper diabatic description is thought to be a more reasonable representation of the actual physical scattering process than the adiabatic description. It should be noted that there is a great deal of controversy surrounding the word proper but our new formulation satisfies most, if not all, criteria for diabatic states. In addition, we have carried out or initiated theoretical studies on a number of atomic scattering processes involving charge transfer reactions and proton-induced fine-structure transitions. Our calculations of differential scattering cross sections for low energy charge transfer reaction should be of particular importance. A number of experimental groups are now proposing to measure these cross sections which our calculations predict should have large, striking features. Such comparisons would provide valuable tests of the theory of low energy atomic collision processes on a more fundamental level than previous comparisons of the total cross sections
Design and Synthesis of Nonequilibrium Systems.
Cheng, Chuyang; McGonigal, Paul R; Stoddart, J Fraser; Astumian, R Dean
2015-09-22
The active transport of ions and molecules across cell membranes is essential to creating the concentration gradients that sustain life in all living organisms, be they bacteria, fungi, plants, animals or Homo sapiens. Nature uses active transport everywhere for everything. Molecular biologists have long been attracted to the study of active transport and continue to this day to investigate and elucidate the tertiary structures of the complex motor proteins that sustain it, while physicists, interested in nonequilibrium statistical mechanics, have developed theoretical models to describe the driven ratcheting motions that are crucial to its function. The increasingly detailed understanding that contemporary science has acquired relating to active transport, however, has yet to lead to the design and construction of artificial molecular motors capable of employing ratchet-driven motions that can also perform work against concentration gradients. Mechanically interlocked molecules (MIMs) in the form of pseudo- and semirotaxanes are showing some encouraging signs in meeting these goals. This review summarizes recent progress in making artificial molecular motors that can perform work by "pumping" tetracationic rings into high-energy states. The launching pad is a bistable [2]rotaxane whose dumbbell component contains two electron-donating recognition sites, one, a tetrathiafulvalene (TTF) unit, which interacts more strongly with the ring component, cyclobis(paraquat-p-phenylene) (CBPQT(4+)), containing two electron-accepting bipyridinium units, than does the other 1,5-dioxynaphthalene (DNP) unit. Switching can be induced electrochemically by oxidizing the TTF unit to a TTF(•+) radical cation, whereupon Coulombic repulsion takes care of moving the ring to the DNP unit. Reduction of the radical cation resets the switch. Molecular switches operate at, or close to, equilibrium. Any work done during one switching event is undone during the reset. Molecular motors, on the
The non-equilibrium nature of culinary evolution
Kinouchi, Osame; Diez-Garcia, Rosa W.; Holanda, Adriano J.; Zambianchi, Pedro; Roque, Antonio C.
2008-07-01
Food is an essential part of civilization, with a scope that ranges from the biological to the economic and cultural levels. Here, we study the statistics of ingredients and recipes taken from Brazilian, British, French and Medieval cookery books. We find universal distributions with scale invariant behaviour. We propose a copy-mutate process to model culinary evolution that fits our empirical data very well. We find a cultural 'founder effect' produced by the non-equilibrium dynamics of the model. Both the invariant and idiosyncratic aspects of culture are accounted for by our model, which may have applications in other kinds of evolutionary processes.
Equilibrium sampling by reweighting nonequilibrium simulation trajectories.
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.
Investigation on non-equilibrium performance of composite adsorbent for resorption refrigeration
International Nuclear Information System (INIS)
Jiang, L.; Wang, L.W.; Zhou, Z.S.; Zhu, F.Q.; Wang, R.Z.
2016-01-01
Highlights: • Performance of resorption refrigeration is analyzed based on non-equilibrium reaction process. • The porous matrix improves the heat and mass performance of composite adsorbent. • The actual desorption process has the significant hysteresis phenomenon. • The highest energy efficiency of Manganese and Calcium chloride working pair is 0.272. - Abstract: The aims of this paper is to indicate that the non-equilibrium adsorption testing results is more suitable for prediction of real refrigeration performance than equilibrium data. Therefore, a test unit is constructed to test the non-equilibrium performance of different composite adsorbents. The adsorption and desorption quantity are measured and calculated by smart differential pressure transmitter. The non-equilibrium adsorption performances of working pair of Manganese chloride–ammonia, Calcium chloride–ammonia and Ammonium chloride–ammonia are investigated respectively. Results show that hysteresis phenomena happens obviously in non-equilibrium desorption process, which is related with dual variables rather than single variable. Based on the testing results, resorption refrigeration performance is analyzed, in which Manganese chloride is used as high temperature salt (HTS), and Calcium chloride, Ammonium chloride are selected as low temperature salt (LTS) for comparison. Results show that the highest COP and SCP for resorption refrigeration are about 0.272 and 45.6 W/kg, respectively. Performance of Manganese chloride–Calcium chloride and Manganese chloride–Ammonium chloride working pairs are much lower when compared with theoretical data.
Non-equilibrium assembly of microtubules: from molecules to autonomous chemical robots.
Hess, H; Ross, Jennifer L
2017-09-18
Biological systems have evolved to harness non-equilibrium processes from the molecular to the macro scale. It is currently a grand challenge of chemistry, materials science, and engineering to understand and mimic biological systems that have the ability to autonomously sense stimuli, process these inputs, and respond by performing mechanical work. New chemical systems are responding to the challenge and form the basis for future responsive, adaptive, and active materials. In this article, we describe a particular biochemical-biomechanical network based on the microtubule cytoskeletal filament - itself a non-equilibrium chemical system. We trace the non-equilibrium aspects of the system from molecules to networks and describe how the cell uses this system to perform active work in essential processes. Finally, we discuss how microtubule-based engineered systems can serve as testbeds for autonomous chemical robots composed of biological and synthetic components.
Nonequilibrium molecular dynamics theory, algorithms and applications
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...
Exploring hypothetical learning progressions for the chemistry of nitrogen and nuclear processes
Henry, Deborah McKern
Chemistry is a bridge that connects a number of scientific disciplines. High school students should be able to determine whether scientific information is accurate, how chemistry applies to daily life, and the mechanism by which systems operate (NRC, 2012). This research focuses on describing hypothetical learning progressions for student understanding of the chemical reactions of nitrogen and nuclear processes and examines whether there is consistency in scientific reasoning between these two distinct conceptual areas. The constant comparative method was used to analyze the written products of students including homework, formative and summative tests, laboratory notebooks, reflective journals, written presentations, and discussion board contributions via Edmodo (an online program). The ten participants were 15 and 16 year old students enrolled in a general high school chemistry course. Instruction took place over a ten week period. The learning progression levels ranged from 0 to 4 and were described as missing, novice, intermediate, proficient, and expert. The results were compared to the standards set by the NRC with a lower anchor (expectations for grade 8) and upper anchor (expectations for grade 12). The results indicate that, on average, students were able to reach an intermediate level of understanding for these concepts.
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...
Recent progress in the melt-process technique of high-temperature superconductors
Ikuta, H; Mizutani, U
1999-01-01
Recently, the performance of high-temperature super conductors prepared by the melt-process technique has been greatly improved. This progress was accomplished by the addition of Ag into the starting materials of the Sm-Ba-CuO $9 system, which prevents the formation of severe macro-sized cracks in the finished samples. The magnetic flux density trapped by this material has now reached 9 T at 25 K, which is comparable to the magnetic flux density produced by $9 ordinary superconducting magnets. The amount of magnetic flux density that can be trapped by the sample is limited by the mechanical strength rather than superconducting properties of the material. The increase in the mechanical $9 strength of the material is important both for further improvement of the material properties and for ensuring reliability of the material in practical applications. (20 refs).
The 2nd State of the Carbon Cycle Report (SOCCR-2): Process, Progress and Institutional Context
Shrestha, G.; Cavallaro, N.; Zhu, Z.; Larson, E. K.; Butler, J. H.
2017-12-01
Over 200 scientists and program managers from U.S., Mexican and Canadian government and non-government institutions have been collaborating on SOCCR-2 since 2015. Responding to the U.S. Global Change Research Act (1990) and the U.S. Carbon Cycle Science Plan (2011), this special Sustained National Climate Assessment report covers many of the GCRA mandated sectors such as agriculture, energy, forestry, aquatic systems, coasts, wetlands, atmospheric and human social systems, integrating the scientific uncertainties and analyzing the effects of global change on the carbon cycle and vice versa, including projections for both human- induced and natural changes. This presentation covers the SOCCR-2 process, progress and institutional context, providing a historical perspective on the interagency instruments and mechanisms that have facilitated the last decades of carbon cycle science reflected in SOCCR-2.
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
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.
Progress of data processing system in JT-60 utilizing the UNIX-based workstations
International Nuclear Information System (INIS)
Sakata, Shinya; Kiyono, Kimihiro; Oshima, Takayuki; Sato, Minoru; Ozeki, Takahisa
2007-07-01
JT-60 data processing system (DPS) possesses three-level hierarchy. At the top level of hierarchy is JT-60 inter-shot processor (MSP-ISP), which is a mainframe computer, provides communication with the JT-60 supervisory control system and supervises the internal communication inside the DPS. The middle level of hierarchy has minicomputers and the bottom level of hierarchy has individual diagnostic subsystems, which consist of the CAMAC and VME modules. To meet the demand for advanced diagnostics, the DPS has been progressed in stages from a three-level hierarchy system, which was dependent on the processing power of the MSP-ISP, to a two-level hierarchy system, which is decentralized data processing system (New-DPS) by utilizing the UNIX-based workstations and network technology. This replacement had been accomplished, and the New-DPS has been started to operate in October 2005. In this report, we describe the development and improvement of the New-DPS, whose functions were decentralized from the MSP-ISP to the UNIX-based workstations. (author)
Characterization of nonequilibrium states of trapped Bose–Einstein condensates
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.
Nonequilibrium pressurizer model; Model za neravnotezne uslove u sudu za odrzavanje pritiska
Energy Technology Data Exchange (ETDEWEB)
Stevanovic, V; Studovic, M [masinski fakultet, Beograd (Yugoslavia)
1984-07-01
The paper represents a nonequilibrium pressurizer model developed at the Faculty of Mechanical engineering as a sub model of complete NSSS model for predicting behaviour of corresponding components under transient conditions. Apart from other approaches, developed model was started with assumption that governing processes in pressurizer behaviour are interfaces heat and mass transfer processes. Such procedure has difficulties with information about values of interfaces and thermodynamic potential for mass and energy transfer across interfaces, during thermodynamic nonequilibrium state of vapour and liquid. To overcome these difficulties it was introduced the mass and energy parameters which successfully solve this problem. The model was verified with several analytical and experimental results. (author)
Non-equilibrium mean-field theories on scale-free networks
International Nuclear Information System (INIS)
Caccioli, Fabio; Dall'Asta, Luca
2009-01-01
Many non-equilibrium processes on scale-free networks present anomalous critical behavior that is not explained by standard mean-field theories. We propose a systematic method to derive stochastic equations for mean-field order parameters that implicitly account for the degree heterogeneity. The method is used to correctly predict the dynamical critical behavior of some binary spin models and reaction–diffusion processes. The validity of our non-equilibrium theory is further supported by showing its relation with the generalized Landau theory of equilibrium critical phenomena on networks
International Nuclear Information System (INIS)
Bai, Peng; Fan, Kaigong; Guo, Xianghai; Zhang, Haocui
2016-01-01
Highlights: • We propose a non-equilibrium mass transfer absorption model instead of a distillation equilibrium model to calculate boron isotopes separation. • We apply the model to calculate the needed column height to meet prescribed separation requirements. - Abstract: To interpret the phenomenon of chemical exchange in boron isotopes separation accurately, the process is specified as an absorption–reaction–desorption hybrid process instead of a distillation equilibrium model, the non-equilibrium mass transfer absorption model is put forward and a mass transfer enhancement factor E is introduced to find the packing height needed to meet the specified separation requirements with MATLAB.
Non-equilibrium effects upon the non-Markovian Caldeira-Leggett quantum master equation
International Nuclear Information System (INIS)
Bolivar, A.O.
2011-01-01
Highlights: → Classical Brownian motion described by a non-Markovian Fokker-Planck equation. → Quantization process. → Quantum Brownian motion described by a non-Markovian Caldeira-Leggett equation. → A non-equilibrium quantum thermal force is predicted. - Abstract: We obtain a non-Markovian quantum master equation directly from the quantization of a non-Markovian Fokker-Planck equation describing the Brownian motion of a particle immersed in a generic environment (e.g. a non-thermal fluid). As far as the especial case of a heat bath comprising of quantum harmonic oscillators is concerned, we derive a non-Markovian Caldeira-Leggett master equation on the basis of which we work out the concept of non-equilibrium quantum thermal force exerted by the harmonic heat bath upon the Brownian motion of a free particle. The classical limit (or dequantization process) of this sort of non-equilibrium quantum effect is scrutinized, as well.
Towards a nonequilibrium quantum field theory approach to electroweak baryogenesis
International Nuclear Information System (INIS)
Riotto, A.
1996-01-01
We propose a general method to compute CP violating observables from extensions of the standard model in the context of electroweak baryogenesis. It is an alternative to the one recently developed by Huet and Nelson and relies on a nonequilibrium quantum field theory approach. The method is valid for all shapes and sizes of the bubble wall expanding in the thermal bath during a first-order electroweak phase transition. The quantum physics of CP violation and its suppression coming from the incoherent nature of thermal processes are also made explicit. copyright 1996 The American Physical Society
Energy flow in non-equilibrium conformal field theory
Bernard, Denis; Doyon, Benjamin
2012-09-01
We study the energy current and its fluctuations in quantum gapless 1d systems far from equilibrium modeled by conformal field theory, where two separated halves are prepared at distinct temperatures and glued together at a point contact. We prove that these systems converge towards steady states, and give a general description of such non-equilibrium steady states in terms of quantum field theory data. We compute the large deviation function, also called the full counting statistics, of energy transfer through the contact. These are universal and satisfy fluctuation relations. We provide a simple representation of these quantum fluctuations in terms of classical Poisson processes whose intensities are proportional to Boltzmann weights.
Non-exponential dynamic relaxation in strongly nonequilibrium nonideal plasmas
International Nuclear Information System (INIS)
Morozov, I V; Norman, G E
2003-01-01
Relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics method for nonideal two-component non-degenerate plasmas. Three limiting examples of initial states of strongly nonequilibrium plasma are considered: zero electron velocities, zero ion velocities and zero velocities of both electrons and ions. The initial non-exponential stage, its duration τ nB and subsequent exponential stages of the relaxation process are studied for a wide range of the nonideality parameter and the ion mass
Two-phase flow model with nonequilibrium and critical flow
International Nuclear Information System (INIS)
Sureau, H.; Houdayer, G.
1976-01-01
The model proposed includes the three conservation equations (mass, momentum, energy) applied to the two phase flows and a fourth partial derivative equation which takes into account the nonequilibriums and describes the mass transfer process. With this model, the two phase critical flow tests performed on the Moby-Dick loop (CENG) with several geometries, are interpreted by a unique law. Extrapolations to industrial dimension problems show that geometry and size effects are different from those obtained with earlier models (Zaloudek, Moody, Fauske) [fr
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)
Nonequilibrium Molecular Energy Coupling and Conversion Mechanisms
2016-08-28
resolved temperature measurements, by pure rotational picosecond broadband Coherent Anti-Stokes Raman Spectroscopy ( CARS ), and kinetic modeling...rotational ps CARS for thermometry measurements in highly transient nonequilibrium plasmas. Rotational-translational temperatures are measured for time...primarily on localized flow heating on sub-acoustic time scale, and for assessing feasibility of high-speed aerodynamic flow control by vibrational
Non-equilibrium thermodynamics and physical kinetics
Bikkin, Halid
2014-01-01
This graduate textbook covers contemporary directions of non-equilibrium statistical mechanics as well as classical methods of kinetics. With one of the main propositions being to avoid terms such as "obviously" and "it is easy to show", this treatise is an easy-to-read introduction into this traditional, yet vibrant field.
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.
Non-equilibrium modelling of distillation
Wesselingh, JA; Darton, R
1997-01-01
There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase
Zimmerer, V. C.; Varley, R. A.
2015-01-01
Processing of linear word order (linear configuration) is important for virtually all languages and essential to languages such as English which have little functional morphology. Damage to systems underpinning configurational processing may specifically affect word-order reliant sentence structures. We explore order processing in WR, a man with primary progressive aphasia (PPA). In a previous report, we showed how WR showed impaired processing of actives, which rely strongly on word order, b...
International Nuclear Information System (INIS)
Li, Guanchen; Spakovsky, Michael R. von
2016-01-01
Conventional first principle approaches for studying nonequilibrium or far-from-equilibrium processes depend on the mechanics of individual particles or quantum states. They also require many details of the mechanical features of a system to arrive at a macroscopic property. In contrast, thermodynamics provides an approach for determining macroscopic property values without going into these details, because the overall effect of particle dynamics results, for example, at stable equilibrium in an invariant pattern of the “Maxwellian distribution”, which in turn leads to macroscopic properties. However, such an approach is not generally applicable to a nonequilibrium process except in the near-equilibrium realm. To adequately address these drawbacks, steepest-entropy-ascent quantum thermodynamics (SEAQT) provides a first principle, thermodynamic-ensemble approach applicable to the entire nonequilibrium realm. Based on prior developments by the authors, this paper applies the SEAQT framework to modeling the nonquasi-equilibrium cycle, which a system with variable volume undergoes. Using the concept of hypoequilibrium state and nonequilibrium intensive properties, this framework provides a complete description of the nonequilibrium evolution in state of the system. Results presented here reveal how nonequilibrium effects influence the performance of the cycle. - Highlights: • First-principles nonequilibrium model of thermodynamic cycles. • Study of thermal efficiency losses due to nonequilibrium effects. • Study of systems undergoing nonquasi-equilibrium processes. • Study of the coupling of system relaxation and interaction with a reservoir.
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
Dynamical Symmetries and Causality in Non-Equilibrium Phase Transitions
Directory of Open Access Journals (Sweden)
Malte Henkel
2015-11-01
Full Text Available Dynamical symmetries are of considerable importance in elucidating the complex behaviour of strongly interacting systems with many degrees of freedom. Paradigmatic examples are cooperative phenomena as they arise in phase transitions, where conformal invariance has led to enormous progress in equilibrium phase transitions, especially in two dimensions. Non-equilibrium phase transitions can arise in much larger portions of the parameter space than equilibrium phase transitions. The state of the art of recent attempts to generalise conformal invariance to a new generic symmetry, taking into account the different scaling behaviour of space and time, will be reviewed. Particular attention will be given to the causality properties as they follow for co-variant n-point functions. These are important for the physical identification of n-point functions as responses or correlators.
Directory of Open Access Journals (Sweden)
João Barros Matos
2014-03-01
Full Text Available Si riconosce che il workshop costituisce un modello dinamico di apprendimento, in continua evoluzione e sperimentazione, e in grado di essere costantemente riformulato per giungere a nuove e stimolanti situazioni per insegnare la pratica dell'architettura. Si tratta infatti di un modello particolarmente adatto alla ricerca di un approccio globale e coerente al progetto architettonico, dato che evita di separare gli argomenti in frammenti isolati nel processo progettuale. Riunire i gruppi di lavoro nello stesso spazio e nel tempo limitato a disposizione richiede un pensiero intenso e un ritmo di produzione che aiuta a migliorare il rapporto tra i riferimenti teorici riportabili al soggetto trattato e gli aspetti relativi all'elaborazione e alla comunicazione del progetto architettonico. / We recognize the workshop as a dynamic model of learning, which is continuously changing and experimenting, and is able to be constantly redesigned to achieve new and stimulating situations for teaching the practice of architecture. In fact it is a particularly suitable model for seeking a global and coherent approach to the architectural project, while avoiding separating the topics into isolated fragments, throughout the project’s process. Bringing work teams together in the same space and within a reduced time limit requires intensive thought and a rhythm of production which helps improve the relation between the theoretical references of the subject’s production and the aspects related to producing work and communication elements for the architectural project.
Light-induced electronic non-equilibrium in plasmonic particles.
Kornbluth, Mordechai; Nitzan, Abraham; Seideman, Tamar
2013-05-07
We consider the transient non-equilibrium electronic distribution that is created in a metal nanoparticle upon plasmon excitation. Following light absorption, the created plasmons decohere within a few femtoseconds, producing uncorrelated electron-hole pairs. The corresponding non-thermal electronic distribution evolves in response to the photo-exciting pulse and to subsequent relaxation processes. First, on the femtosecond timescale, the electronic subsystem relaxes to a Fermi-Dirac distribution characterized by an electronic temperature. Next, within picoseconds, thermalization with the underlying lattice phonons leads to a hot particle in internal equilibrium that subsequently equilibrates with the environment. Here we focus on the early stage of this multistep relaxation process, and on the properties of the ensuing non-equilibrium electronic distribution. We consider the form of this distribution as derived from the balance between the optical absorption and the subsequent relaxation processes, and discuss its implication for (a) heating of illuminated plasmonic particles, (b) the possibility to optically induce current in junctions, and (c) the prospect for experimental observation of such light-driven transport phenomena.
Non-Equilibrium Solidification of Undercooled Metallic Melts
Directory of Open Access Journals (Sweden)
Dieter M. Herlach
2014-06-01
Full Text Available If a liquid is undercooled below its equilibrium melting temperature an excess Gibbs free energy is created. This gives access to solidification of metastable solids under non-equilibrium conditions. In the present work, techniques of containerless processing are applied. Electromagnetic and electrostatic levitation enable to freely suspend a liquid drop of a few millimeters in diameter. Heterogeneous nucleation on container walls is completely avoided leading to large undercoolings. The freely suspended drop is accessible for direct observation of rapid solidification under conditions far away from equilibrium by applying proper diagnostic means. Nucleation of metastable crystalline phases is monitored by X-ray diffraction using synchrotron radiation during non-equilibrium solidification. While nucleation preselects the crystallographic phase, subsequent crystal growth controls the microstructure evolution. Metastable microstructures are obtained from deeply undercooled melts as supersaturated solid solutions, disordered superlattice structures of intermetallics. Nucleation and crystal growth take place by heat and mass transport. Comparative experiments in reduced gravity allow for investigations on how forced convection can be used to alter the transport processes and design materials by using undercooling and convection as process parameters.
Mixing processes in high-level waste tanks. 1998 annual progress report
International Nuclear Information System (INIS)
Peterson, P.F.
1998-01-01
Flammable gases can be generated in DOE high-level waste tanks, including radiolytic hydrogen, and during cesium precipitation from salt solutions, benzene. Under normal operating conditions the potential for deflagration or detonation from these gases is precluded by purging and ventilation systems, which remove the flammable gases and maintain a well-mixed condition in the tanks. Upon failure of the ventilation system, due to seismic or other events, however, it has proven more difficult to make strong arguments for well-mixed conditions, due to the potential for density-induced stratification which can potentially sequester fuel or oxidizer at concentrations significantly higher than average. This has complicated the task of defining the safety basis for tank operation. Waste-tank mixing processes have considerable overlap with similar large-enclosure mixing processes that occur in enclosure fires and nuclear reactor containments. Significant differences also exist, so that modeling techniques that have been developed previously can not be directly applied to waste tanks. In particular, mixing of air introduced through tank roof penetrations by buoyancy and pressure driven exchange flows, mixed convection induced by an injected high-velocity purge jet interacting with buoyancy driven flow, and onset and breakdown of stable stratification under the influence of an injected jet have not been adequately studied but are important in assessing the potential for accumulation of high-concentration pockets of fuel and oxygen. Treating these phenomena requires a combination of experiments and the development of new, more general computational models than those that have been developed for enclosure fires. U.C. Berkeley is now completing the second year of its three-year project that started in September, 1996. Excellent progress has been made in several important areas related to waste-tank ventilation and mixing processes.'
Theory of high-energy-collision processes. Technical progress report, January 1-December 31, 1981
International Nuclear Information System (INIS)
1982-01-01
Progress is described in the following areas: (1) several years ago, surprisingly simple expressions were obtained for the differential cross sections of e + e - → μ + μ - γ and e + e - → e + e - γ at high energies. Such simple expressions were generalized to twelve other similar radiative processes in QED and QCD. Afterwards, it was found that these results can be derived easily with the help of helicity amplitudes. This method is being investigated for many other radiative processes; (2) in the two-dimensional Ising model, the horizontal and vertical interaction energies are usually taken to be different. When this idea of different interactions in different directions is applied to the Z 2 lattice gauge theory in four dimensions, a limiting case is found which is exactly solvable. Contrary to numerical calculations at the symmetry point, the phase transition is found to be of second order; (3) on the subject of supersymmetry, general helicity and spin sum rules were obtained for massless and massive supermultiplets, and a functional integral approach was found as a natural setting for Witten's criterion for the occurrence of dynamic symmetry breaking of supersymmetry. A systematic and exhaustive analysis of explicit soft breaking of global supersymmetry has also been carried out using the methods of superfields; (4) the renormalization of the massless Thirring model in the neighborhood of g = -π/2 was studied. The results are consistent with those found previously by placing the model on a lattice; and (5) in studying the effect of laboratory temperature on scattering processes, it was found that transport phenomena play an important role. As a preparation for this study, an exactly solvable case of the nonlinear Boltzmann equation has been found and studied
Progress Report for Diffusion Welding of the NGNP Process Application Heat Exchangers
Energy Technology Data Exchange (ETDEWEB)
R.E. Mizia; D.E. Clark; M.V. Glazoff; T.E. Lister; T.L. Trowbridge
2011-12-01
The U.S. Department of Energy selected the high temperature gas-cooled reactor as the basis for the Next Generation Nuclear Plant (NGNP). The NGNP will demonstrate the use of nuclear power for electricity, hydrogen production, and process heat applications. The NGNP Project is currently investigating the use of metallic, diffusion welded, compact heat exchangers to transfer heat from the primary (reactor side) heat transport system to the secondary heat transport system. An intermediate heat exchanger will transfer this heat to downstream applications such as hydrogen production, process heat, and electricity generation. The channeled plates that make up the heat transfer surfaces of the intermediate heat exchanger will have to be assembled into an array by diffusion welding. This report describes the preliminary results of a scoping study that evaluated the diffusion welding process parameters and the resultant mechanical properties of diffusion welded joints using Alloy 800H. The long-term goal of the program is to progress towards demonstration of small heat exchanger unit cells fabricated with diffusion welds. Demonstration through mechanical testing of the unit cells will support American Society of Mechanical Engineers rules and standards development, reduce technical risk, and provide proof of concept for heat exchanger fabrication methods needed to deploy heat exchangers in several potential NGNP configurations.1 Researchers also evaluated the usefulness of modern thermodynamic and diffusion computational tools (Thermo-Calc and Dictra) in optimizing the parameters for diffusion welding of Alloy 800H. The modeling efforts suggested a temperature of 1150 C for 1 hour with an applied pressure of 5 MPa using 15 {micro}m nickel foil as joint filler to reduce chromium oxidation on the welded surfaces. Good agreement between modeled and experimentally determined concentration gradients was achieved
Non-equilibrium dynamics of one-dimensional Bose gases
International Nuclear Information System (INIS)
Langen, T.
2013-01-01
Understanding the non-equilibrium dynamics of isolated quantum many-body systems is an open problem on vastly different energy, length, and time scales. Examples range from the dynamics of the early universe and heavy-ion collisions to the subtle coherence and transport properties in condensed matter physics. However, realizations of such quantum many-body systems, which are both well isolated from the environment and accessible to experimental study are scarce. This thesis presents a series of experiments with ultracold one-dimensional Bose gases. These gases combine a nearly perfect isolation from the environment with many well-established methods to manipulate and probe their quantum states. This makes them an ideal model system to explore the physics of quantum many body systems out of equilibrium. In the experiments, a well-defined non-equilibrium state is created by splitting a single one-dimensional gas coherently into two parts. The relaxation of this state is probed using matter-wave interferometry. The Observations reveal the emergence of a prethermalized steady state which differs strongly from thermal equilibrium. Such thermal-like states had previously been predicted for a large variety of systems, but never been observed directly. Studying the relaxation process in further detail shows that the thermal correlations of the prethermalized state emerge locally in their final form and propagate through the system in a light-cone-like evolution. This provides first experimental evidence for the local relaxation conjecture, which links relaxation processes in quantum many-body systems to the propagation of correlations. Furthermore, engineering the initial state of the evolution demonstrates that the prethermalized state is described by a generalized Gibbs ensemble, an observation which substantiates the importance of this ensemble as an extension of standard statistical mechanics. Finally, an experiment is presented, where pairs of gases with an atom
International Nuclear Information System (INIS)
Dini, J.W.; Romo, J.G.; Jones, L.M.
1984-01-01
Progress is reported in fabrication and coating activities being conducted for the weapons program, nuclear test program, nuclear design program, magnetic fusion program, and miscellaneous applications
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
Beyond the second law entropy production and non-equilibrium systems
Lineweaver, Charles; Niven, Robert; Regenauer-Lieb, Klaus
2014-01-01
The Second Law, a cornerstone of thermodynamics, governs the average direction of dissipative, non-equilibrium processes. But it says nothing about their actual rates or the probability of fluctuations about the average. This interdisciplinary book, written and peer-reviewed by international experts, presents recent advances in the search for new non-equilibrium principles beyond the Second Law, and their applications to a wide range of systems across physics, chemistry and biology. Beyond The Second Law brings together traditionally isolated areas of non-equilibrium research and highlights potentially fruitful connections between them, with entropy production playing the unifying role. Key theoretical concepts include the Maximum Entropy Production principle, the Fluctuation Theorem, and the Maximum Entropy method of statistical inference. Applications of these principles are illustrated in such diverse fields as climatology, cosmology, crystal growth morphology, Earth system science, environmental physics, ...
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)
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.)
Nonequilibrium effects and structure of X-ray lines in tokamak plasma
Gontis, V. G.; Lisitsa, V. S.
1986-02-01
The sensitivity of X-ray spectra to a number of typical non-equilibrium effects occurring in modern tokamaks is examined. Experimental data from the T-10 and ST Tokamaks are cited to illustrate the degree of deviation from coronal equilibrium. The analysis exploits recent atomic data for radiation and autoionization line widths; standard semiempirical formulas are used to calculate the rates of collision processes. Ion diffusion and impurity distribution by degrees of ionization are investigated. The sensitivity of K radiation to electron nonequilibrium and ion charge exchange is examined.
One-loop calculation in time-dependent non-equilibrium thermo field dynamics
International Nuclear Information System (INIS)
Umezawa, H.; Yamanaka, Y.
1989-01-01
This paper is a review on the structure of thermo field dynamics (TFD) in which the basic concepts such as the thermal doublets, the quasi-particles and the self-consistent renormalization are presented in detail. A strong emphasis is put on the computational scheme. A detailed structure of this scheme is illustrated by the one-loop calculation in a non-equilibrium time-dependent process. A detailed account of the one-loop calculation has never been reported anywhere. The role of the self-consistent renormalization is explained. The equilibrium TFD is obtained as the long-time limit of non-equilibrium TFD. (author)
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
Quantum Coherent Dynamics Enhanced by Synchronization with Nonequilibrium Environments
Ishikawa, Akira; Okada, Ryo; Uchiyama, Kazuharu; Hori, Hirokazu; Kobayashi, Kiyoshi
2018-05-01
We report the discovery of the anomalous enhancement of quantum coherent dynamics (CD) due to a non-Markovian mechanism originating from not thermal-equilibrium phonon baths but nonequilibrium coherent phonons. CD is an elementary process for quantum phenomena in nanosystems, such as excitation transfer (ET) in semiconductor nanostructures and light-harvesting systems. CD occurs in homogeneous nanosystems because system inhomogeneity typically destroys coherence. In real systems, however, nanosystems behave as open systems surrounded by environments such as phonon systems. Typically, CD in inhomogeneous nanosystems is enhanced by the absorption and emission of thermal-equilibrium phonons, and the enhancement is described by the conventional master equation. On the other hand, CD is also enhanced by synchronization between population dynamics in nanosystems and coherent phonons; namely, coherent phonons, which are self-consistently induced by phase matching with Rabi oscillation, are fed back to enhance CD. This anomalous enhancement of CD essentially originates from the nonequilibrium and dynamical non-Markovian nature of coherent phonon environments, and the enhancement is firstly predicted by applying time-dependent projection operators to nonequilibrium and dynamical environments. Moreover, CD is discussed by considering ET from a donor to an acceptor. It is found that the enhancement of ET by synchronization with coherent phonons depends on the competition between the output time from a system to an acceptor and the formation time of coherent phonons. These findings in this study will stimulate the design and manipulation of CD via structured environments from the viewpoint of application to nano-photoelectronic devices.
Progress in bioleaching: part B: applications of microbial processes by the minerals industries.
Brierley, Corale L; Brierley, James A
2013-09-01
This review presents developments and applications in bioleaching and mineral biooxidation since publication of a previous mini review in 2003 (Olson et al. Appl Microbiol Biotechnol 63:249-257, 2003). There have been discoveries of newly identified acidophilic microorganisms that have unique characteristics for effective bioleaching of sulfidic ores and concentrates. Progress has been made in understanding and developing bioleaching of copper from primary copper sulfide minerals, chalcopyrite, covellite, and enargite. These developments point to low oxidation-reduction potential in concert with thermophilic bacteria and archaea as a potential key to the leaching of these minerals. On the commercial front, heap bioleaching of nickel has been commissioned, and the mineral biooxidation pretreatment of sulfidic-refractory gold concentrates is increasingly used on a global scale to enhance precious metal recovery. New and larger stirred-tank reactors have been constructed since the 2003 review article. One biooxidation-heap process for pretreatment of sulfidic-refractory gold ores was also commercialized. A novel reductive approach to bioleaching nickel laterite minerals has been proposed.
Energy Technology Data Exchange (ETDEWEB)
Suslick, K.S.
1997-11-21
'During the past year, the authors have continued to make substantial scientific progress on the understanding of cavitation phenomena in aqueous media and applications of cavitation to remediation processes. The efforts have focused on three separate areas: sonoluminescence as a probe of conditions created during cavitational collapse in aqueous media, the use of cavitation for remediation of contaminated water, and an addition of the use of ultrasound in the synthesis of novel heterogeneous catalysts for hydrodehalogenation of halocarbons under mild conditions. In order to gain further understanding of the conditions present during cavitation, the author has continued his studies of sonoluminescence. He has made recent breakthroughs in the use of emission spectroscopy for temperature and pressure measurement of cavitation events, which he expects to publish shortly. He has been able to measure for the first time the temperature of cavitation in water during multi-bubble cavitation in the presence of aromatic hydrocarbons. The emission from excited states of C{sub 2} in water gives temperatures that are consistent with adiabatic compressional heating, with maximum temperatures of 4,300 K. Prior measurements of cavitation temperatures in low vapor pressure nonaqueous media gave somewhat higher temperatures of 5,000 K. This work lays permanently to rest exotic mechanisms for cavitational chemistry, at least for cavitation fields.'
International Nuclear Information System (INIS)
Suslick, K.S.
1997-01-01
'During the past year, the authors have continued to make substantial scientific progress on the understanding of cavitation phenomena in aqueous media and applications of cavitation to remediation processes. The efforts have focused on three separate areas: sonoluminescence as a probe of conditions created during cavitational collapse in aqueous media, the use of cavitation for remediation of contaminated water, and an addition of the use of ultrasound in the synthesis of novel heterogeneous catalysts for hydrodehalogenation of halocarbons under mild conditions. In order to gain further understanding of the conditions present during cavitation, the author has continued his studies of sonoluminescence. He has made recent breakthroughs in the use of emission spectroscopy for temperature and pressure measurement of cavitation events, which he expects to publish shortly. He has been able to measure for the first time the temperature of cavitation in water during multi-bubble cavitation in the presence of aromatic hydrocarbons. The emission from excited states of C 2 in water gives temperatures that are consistent with adiabatic compressional heating, with maximum temperatures of 4,300 K. Prior measurements of cavitation temperatures in low vapor pressure nonaqueous media gave somewhat higher temperatures of 5,000 K. This work lays permanently to rest exotic mechanisms for cavitational chemistry, at least for cavitation fields.'
Is Sustainable Remediation Now a Self-Sustaining Process? an International Progress Report
Smith, J. W. N.
2014-12-01
Sustainable remediation - the consideration of environmental, social and economic factors associated with soil and groundwater risk-management options, to help select the best overall solution - has been a rapidly evolving topic in recent years. The first published reference[1] to 'sustainable remediation' was in the title of a 1999 conference paper by Kearney et al., (1999), but activity really accelerated in the middle-late 2000's, with establishment of a number of collaborative sustainable remediation groups and fora, and increased publication rates in the peer reviewed literature (Fig 1). Figure 1. Journal paper publications with search term 'sustainable remediation' (SCOPUS survey, 17 July 2014) This presentation will review the international progress of sustainable remediation concept development and application in regulatory and corporate decision-making processes. It will look back at what has already been achieved, provide an update on the latest initiatives and developments, and look forward to what the future of sustainable remediation might look like. Specifically it will describe: Sustainable remediation frameworks: synergies and international collaboration; Latest guidance and tools developed by the various sustainable remediation organisations (SuRFs), including the SuRF-UK Best Management Practices and Tier 1 Briefcase; Best practice standard development by ASTM and ISO; Regulatory acceptance of sustainable remediation, including incorporation into legislation, and the NICOLE - Common Forum Joint statement on 'risk-informed and sustainable remediation' in Europe; Examples of corporate adoption of sustainable remediation principles. The presentation will conclude with a look forward to a vision of sustainable remediation in 2020.
Anthesis, the infectious process and disease progress curves for fusarium head blight in wheat
Directory of Open Access Journals (Sweden)
Erlei Melo Reis
2016-06-01
Full Text Available ABSTRACT Fusarium head blight of wheat (Triticum aestivum, caused by the fungus Gibberella zeae, is a floral infecting disease that causes quantitative and qualitative losses to winter cereals. In Brazil, the sanitary situation of wheat has led to research in order to develop strategies for sustainable production, even under adverse weather conditions. To increase the knowledge of the relationship among the presence of anthesis, the infectious process, the disease progress and the saprophytic fungi present in wheat anthers, studies were conducted in the experimental field of University of Passo Fundo (UPF, using the cultivar Marfim, in the 2011 growing season. The disease incidence in spikes and spikelets was evaluated. The presence of exserted anthers increased the spike exposure time to the inoculum. The final incidence of fusarium head blight, in the field, was dependent on the presence of exserted anthers. The disease followed an aggregation pattern and its evolution increased with time, apparently showing growth according to secondary cycles. The fungi isolated from exserted anthers (Alternaria sp., Fusarium sp., Drechslera spp. and Epicoccum sp. did not compete for the infection site of fusarium head blight in wheat, not interfering with the incidence of F. graminearum.
Nonequilibrium thermodynamic potentials for continuous-time Markov chains.
Verley, Gatien
2016-01-01
We connect the rare fluctuations of an equilibrium (EQ) process and the typical fluctuations of a nonequilibrium (NE) stationary process. In the framework of large deviation theory, this observation allows us to introduce NE thermodynamic potentials. For continuous-time Markov chains, we identify the relevant pairs of conjugated variables and propose two NE ensembles: one with fixed dynamics and fluctuating time-averaged variables, and another with fixed time-averaged variables, but a fluctuating dynamics. Accordingly, we show that NE processes are equivalent to conditioned EQ processes ensuring that NE potentials are Legendre dual. We find a variational principle satisfied by the NE potentials that reach their maximum in the NE stationary state and whose first derivatives produce the NE equations of state and second derivatives produce the NE Maxwell relations generalizing the Onsager reciprocity relations.
Eu, Byung Chan
2016-01-01
This book presents the fundamentals of irreversible thermodynamics for nonlinear transport processes in gases and liquids, as well as for generalized hydrodynamics extending the classical hydrodynamics of Navier, Stokes, Fourier, and Fick. Together with its companion volume on relativistic theories, it provides a comprehensive picture of the kinetic theory formulated from the viewpoint of nonequilibrium ensembles in both nonrelativistic and, in Vol. 2, relativistic contexts. Theories of macroscopic irreversible processes must strictly conform to the thermodynamic laws at every step and in all approximations that enter their derivation from the mechanical principles. Upholding this as the inviolable tenet, the author develops theories of irreversible transport processes in fluids (gases or liquids) on the basis of irreversible kinetic equations satisfying the H theorem. They apply regardless of whether the processes are near to or far removed from equilibrium, or whether they are linear or nonlinear with respe...
Syntactic and Morphosyntactic Processing in Stroke-Induced and Primary Progressive Aphasia
Directory of Open Access Journals (Sweden)
Cynthia K. Thompson
2013-01-01
Full Text Available The paper reports findings derived from three experiments examining syntactic and morphosyntactic processing in individuals with agrammatic and logopenic variants of primary progressive aphasia (PPA-G and PPA-L, respectively and stroke-induced agrammatic and anomic aphasia (StrAg and StrAn, respectively. We examined comprehension and production of canonical and noncanonical sentence structures and production of tensed and nontensed verb forms using constrained tasks in experiments 1 and 2, using the Northwestern Assessment of Verbs and Sentences (NAVS [57] and the Northwestern Assessment of Verb Inflection (NAVI, Thompson and Lee, experimental version test batteries, respectively. Experiment 3 examined free narrative samples, focusing on syntactic and morphosyntactic measures, i.e. production of grammatical sentences, noun to verb ratio, open-class to closed-class word production ratio, and the production of correctly inflected verbs. Results indicate that the two agrammatic groups (i.e., PPA-G and StrAg pattern alike on syntactic and morphosyntactic measures, showing more impaired noncanonical compared to canonical sentence comprehension and production and greater difficulties producing tensed compared to nontensed verb forms. Their spontaneous speech also contained significantly fewer grammatical sentences and correctly inflected verbs, and they produced a greater proportion of nouns compared to verbs, than healthy speakers. In contrast, PPA-L and StrAn individuals did not display these deficits, and performed significantly better than the agrammatic groups on these measures. The findings suggest that agrammatism, whether induced by degenerative disease or stroke, is associated with characteristic deficits in syntactic and morphosyntactic processing. We therefore recommend that linguistically sophisticated tests and narrative analysis procedures be used to systematically evaluate the linguistic ability of individuals with PPA, contributing to
Acid-base behavior in hydrothermal processing of wastes. 1997 annual progress report
International Nuclear Information System (INIS)
1997-01-01
'A major obstacle to the development of hydrothermal technology for treating DOE wastes has been a lack of scientific knowledge of solution chemistry, thermodynamics and transport phenomena. The progress over the last year is highlighted in the following four abstracts from manuscripts which have been submitted to journals. The authors also have made considerable progress on a spectroscopic study of the acid-base equilibria of Cr(VI). They have utilized novel spectroscopic indicators to study acid-base equilibria up to 380 C. Until now, very few systems have been studied at such high temperatures, although this information is vital for hydrothermal processing of wastes. The pH values of aqueous solutions of boric acid and KOH were measured with the optical indicator 2-naphthol at temperatures from 300 to 380 C. The equilibrium constant Kb-l for the reaction B(OH)3 + OH - = B(OH) -4 was determined from the pH measurements and correlated with a modified Born model. The titration curve for the addition of HCl to sodium borate exhibits strong acid-strong base behavior even at 350 C and 24.1 MPa. At these conditions, aqueous solutions of sodium borate buffer the pH at 9.6 t 0.25. submitted to Ind. Eng. Chem. Res. Acetic Acid and HCl Acid-base titrations for the KOH-acetic acid or NH 3 -acetic acid systems were monitored with the optical indicator 2-naphthoic acid at 350 C and 34 MPa, and those for the HCl;Cl- system with acridine at 380 C and up to 34 MPa (5,000 psia ). KOH remains a much stronger base than NH,OH at high temperature. From 298 K to the critical temperature of water, the dissociation constant for HCl decreases by 13 orders of magnitude, and thus, the basicity of Cl - becomes significant. Consequently, the addition of NaCl to HCl raises the pH. The pH titration curves may be predicted with reasonable accuracy from the relevant equilibrium constants and Pitzer''s formulation of the Debye- Htickel equation for the activity coefficients.'
Shape characteristics of equilibrium and non-equilibrium fractal clusters.
Mansfield, Marc L; Douglas, Jack F
2013-07-28
It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other
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
Non-equilibrium dynamics of single polymer adsorption to solid surfaces
Panja, D.; Barkema, G.T.; Kolomeisky, A.B.
2009-01-01
The adsorption of polymers to surfaces is crucial for understanding many fundamental processes in nature. Recent experimental studies indicate that the adsorption dynamics is dominated by non-equilibrium effects. We investigate the adsorption of a single polymer of length N to a planar solid surface
Zhong, Hairong; Xu, Wei; Hu, Haojun; Duan, Chengfang
2017-08-01
This article analyzes the features of fostering optoelectronic students' innovative practical ability based on the knowledge structure of optoelectronic disciplines, which not only reveals the common law of cultivating students' innovative practical ability, but also considers the characteristics of the major: (1) The basic theory is difficult, and the close combination of science and technology is obvious; (2)With the integration of optics, mechanics, electronics and computer, the system technology is comprehensive; (3) It has both leading-edge theory and practical applications, so the benefit of cultivating optoelectronic students is high ; (4) The equipment is precise and the practice is costly. Considering the concept and structural characteristics of innovative and practical ability, and adhering to the idea of running practice through the whole process, we put forward the construction of three-dimensional innovation and practice platform which consists of "Synthetically Teaching Laboratory + Innovation Practice Base + Scientific Research Laboratory + Major Practice Base + Joint Teaching and Training Base", and meanwhile build a whole-process progressive training mode to foster optoelectronic students' innovative practical ability, following the process of "basic experimental skills training - professional experimental skills training - system design - innovative practice - scientific research project training - expanded training - graduation project": (1) To create an in - class practical ability cultivation environment that has distinctive characteristics of the major, with the teaching laboratory as the basic platform; (2) To create an extra-curricular innovation practice activities cultivation environment that is closely linked to the practical application, with the innovation practice base as a platform for improvement; (3) To create an innovation practice training cultivation environment that leads the development of cutting-edge, with the scientific
Nonequilibrium recombination after a curved shock wave
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].
Wall ablation of heated compound-materials into non-equilibrium discharge plasmas
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
Lattice Boltzmann approach for complex nonequilibrium flows.
Montessori, A; Prestininzi, P; La Rocca, M; Succi, S
2015-10-01
We present a lattice Boltzmann realization of Grad's extended hydrodynamic approach to nonequilibrium flows. This is achieved by using higher-order isotropic lattices coupled with a higher-order regularization procedure. The method is assessed for flow across parallel plates and three-dimensional flows in porous media, showing excellent agreement of the mass flow with analytical and numerical solutions of the Boltzmann equation across the full range of Knudsen numbers, from the hydrodynamic regime to ballistic motion.
Nonequilibrium Phase Transitions Associated with DNA Replication
2011-02-11
polymerases) catalyzing the growth of a DNA primer strand (the nascent chain of nucleotides complementary to the template strand) based on the Watson ...the fraction (error rate) of monomers for which y, where y is the correct Watson - Crick complementary base of , can be obtained by ¼ X...Nonequilibrium Phase Transitions Associated with DNA Replication Hyung-June Woo* and Anders Wallqvist Biotechnology High Performance Computing
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
Mixing processes in high-level waste tanks. Progress report, September 15, 1996 - September 14, 1997
International Nuclear Information System (INIS)
Peterson, P.F.
1997-01-01
'U.C. Berkeley has made excellent progress in the last year in building and running experiments and performing analysis to study mixing processes that can affect the distribution of fuel and oxygen in the air space of DOE high-level waste tanks, and the potential to create flammable concentrations at isolated locations, achieving all of the milestones outlined in the proposal. The DOE support has allowed the acquisition of key experimental equipment, and has funded the full-time efforts of one doctoral student and one postdoctoral researcher working on the project. In addition, one masters student and one other doctoral student, funded by external sources, have also contributed to the research effort. Flammable gases can be generated in DOE high-level waste tanks, including radiolytic hydrogen, and during cesium precipitation from salt solutions, benzene. Under normal operating conditions the potential for deflagration or detonation from these gases is precluded by purging and ventilation systems, which remove the flammable gases and maintain a well-mixed condition in the tanks. Upon failure of the ventilation system, due to seismic or other events, however, it has proven more difficult to make strong arguments for well-mixed conditions, due to the potential for density-induced stratification which can potentially sequester fuel or oxidizer at concentrations significantly higher than average. This has complicated the task of defining the safety basis for tank operation. The author is currently developing numerical tools for modeling the transient evolution of fuel and oxygen concentrations in waste tanks following loss of ventilation. When used with reasonable grid resolutions, standard multi-dimensional fluid dynamics codes suffer from excessive numerical diffusion effects, which strongly over predict mixing and provide nonconservative estimates, particularly after stratification occurs. The National Institute of Standards and Technology (NIST) has developed
Studies of nuclear processes. Progress report, 1 June 1976--31 December 1976
International Nuclear Information System (INIS)
1976-01-01
This report covers work performed under the terms of this contract since the last progress report (ORO-2408-109). Since most of the activities to be reported are adequately reflected in the documents submitted, in the TUNL progress report and the Duke University report for the current contract period, the present document is a summary. Included are both experimental and theoretical nuclear physics. A list of publications is also included
Amplitude oscillations in a non-equilibrium polariton condensate
Brierley, Richard; Littlewood, Peter; Eastham, Paul
2011-03-01
Like cold atomic gases, semiconductor nanostructures provide new opportunities for exploring non-equilibrium quantum dynamics. In semiconductor microcavities the strong coupling between trapped photons and excitons produces new quasiparticles, polaritons, which can undergo Bose-Einstein condensation. Quantum quenches can be realised by rapidly creating cold exciton populations with a laser [Eastham and Phillips, PRB 79 165303 (2009)]. The mean field theory of non-equilibrium polariton condensates predicts oscillations in the condensate amplitude due to the excitation of a Higgs mode. These oscillations are the analogs of those predicted in quenched cold atomic gases and may occur in the polariton system after performing a quench or by direct excitation of the amplitude mode. We have studied the stability of these oscillations beyond mean field theory. We show that homogeneous amplitude oscillations are unstable to decay into lower energy phase modes at finite wavevectors, suggesting the onset of chaotic behaviour. The resulting hierarchy of decay processes can be understood by analogy to optical parametric oscillators in microcavities. Polariton systems thus provide an interesting opportunity to study the dynamics of Higgs-like modes in a solid state system.
Understanding Non-equilibrium Thermodynamics Foundations, Applications, Frontiers
Jou, David; Lebon, Georgy
2007-01-01
This book offers a homogeneous presentation of the many faces of non-equilibrium thermodynamics. The first part is devoted to a description of the nowadays thermodynamic formalism recognized as the classical theory of non-equilibrium processes. This part of the book may serve as a basis to an introductory course dedicated to first-year graduate students in sciences and engineering. The classical description can however not be complete, as it rests on the hypothesis of local equilibrium. This has fostered the development of many theories going beyond local equilibrium and which cannot be put aside. The second part of the book is concerned with these different approaches, and will be of special interest for PhD students and researchers. For the sake of homogeneity, the authors have used the general structure and methods presented in the first part. Indeed, besides their differences, all these formalisms are not closed boxes but present some overlappings and parallelisms which are emphasized in this book. For pe...
Variational discretization of the nonequilibrium thermodynamics of simple systems
Gay-Balmaz, François; Yoshimura, Hiroaki
2018-04-01
In this paper, we develop variational integrators for the nonequilibrium thermodynamics of simple closed systems. These integrators are obtained by a discretization of the Lagrangian variational formulation of nonequilibrium thermodynamics developed in (Gay-Balmaz and Yoshimura 2017a J. Geom. Phys. part I 111 169–93 Gay-Balmaz and Yoshimura 2017b J. Geom. Phys. part II 111 194–212) and thus extend the variational integrators of Lagrangian mechanics, to include irreversible processes. In the continuous setting, we derive the structure preserving property of the flow of such systems. This property is an extension of the symplectic property of the flow of the Euler–Lagrange equations. In the discrete setting, we show that the discrete flow solution of our numerical scheme verifies a discrete version of this property. We also present the regularity conditions which ensure the existence of the discrete flow. We finally illustrate our discrete variational schemes with the implementation of an example of a simple and closed system.
Non-equilibrium theory of arrested spinodal decomposition
Energy Technology Data Exchange (ETDEWEB)
Olais-Govea, José Manuel; López-Flores, Leticia; Medina-Noyola, Magdaleno [Instituto de Física “Manuel Sandoval Vallarta,” Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, SLP (Mexico)
2015-11-07
The non-equilibrium self-consistent generalized Langevin equation theory of irreversible relaxation [P. E. Ramŕez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010); 82, 061504 (2010)] is applied to the description of the non-equilibrium processes involved in the spinodal decomposition of suddenly and deeply quenched simple liquids. For model liquids with hard-sphere plus attractive (Yukawa or square well) pair potential, the theory predicts that the spinodal curve, besides being the threshold of the thermodynamic stability of homogeneous states, is also the borderline between the regions of ergodic and non-ergodic homogeneous states. It also predicts that the high-density liquid-glass transition line, whose high-temperature limit corresponds to the well-known hard-sphere glass transition, at lower temperature intersects the spinodal curve and continues inside the spinodal region as a glass-glass transition line. Within the region bounded from below by this low-temperature glass-glass transition and from above by the spinodal dynamic arrest line, we can recognize two distinct domains with qualitatively different temperature dependence of various physical properties. We interpret these two domains as corresponding to full gas-liquid phase separation conditions and to the formation of physical gels by arrested spinodal decomposition. The resulting theoretical scenario is consistent with the corresponding experimental observations in a specific colloidal model system.
International Nuclear Information System (INIS)
Lazar, Shlomi; Egoz, Inbal; Brandeis, Rachel; Chapman, Shira; Bloch-Shilderman, Eugenia; Grauer, Ettie
2016-01-01
Sarin is an irreversible organophosphate cholinesterase inhibitor and a highly toxic warfare agent. Following the overt, dose-dependent signs (e.g. tremor, hyper secretion, seizures, respiratory depression and eventually death), brain damage is often reported. The goal of the present study was to characterize the early histopathological and biochemical events leading to this damage. Rats were exposed to 1LD50 of sarin (80 μg/kg, i.m.). Brains were removed at 1, 2, 6, 24 and 48 h and processed for analysis. Results showed that TSPO (translocator protein) mRNA increased at 6 h post exposure while TSPO receptor density increased only at 24 h. In all brain regions tested, bax mRNA decreased 1 h post exposure followed by an increase 24 h later, with only minor increase in bcl2 mRNA. At this time point a decrease was seen in both anti-apoptotic protein Bcl2 and pro-apoptotic Bax, followed by a time and region specific increase in Bax. An immediate elevation in ERK1/2 activity with no change in JNK may indicate an endogenous “first response” mechanism used to attenuate the forthcoming apoptosis. The time dependent increase in the severity of brain damage included an early bi-phasic activation of astrocytes, a sharp decrease in intact neuronal cells, a time dependent reduction in MAP2 and up to 15% of apoptosis. Thus, neuronal death is mostly due to necrosis and severe astrocytosis. The data suggests that timing of possible treatments should be determined by early events following exposure. For example, the biphasic changes in astrocytes activity indicate a possible beneficial effects of delayed anti-inflammatory intervention. - Highlights: • The severity of brain damage post 1LD50 sarin exposure is time dependent. • Sarin induce differential progression of early processes in the rat brain. • Potential treatments should be timed according to early events following exposure. • The biphasic astrocytes activity suggests a delay in anti-inflammatory intervention.
Energy Technology Data Exchange (ETDEWEB)
Lazar, Shlomi; Egoz, Inbal; Brandeis, Rachel; Chapman, Shira; Bloch-Shilderman, Eugenia; Grauer, Ettie, E-mail: ettieg@iibr.gov.il
2016-11-01
Sarin is an irreversible organophosphate cholinesterase inhibitor and a highly toxic warfare agent. Following the overt, dose-dependent signs (e.g. tremor, hyper secretion, seizures, respiratory depression and eventually death), brain damage is often reported. The goal of the present study was to characterize the early histopathological and biochemical events leading to this damage. Rats were exposed to 1LD50 of sarin (80 μg/kg, i.m.). Brains were removed at 1, 2, 6, 24 and 48 h and processed for analysis. Results showed that TSPO (translocator protein) mRNA increased at 6 h post exposure while TSPO receptor density increased only at 24 h. In all brain regions tested, bax mRNA decreased 1 h post exposure followed by an increase 24 h later, with only minor increase in bcl2 mRNA. At this time point a decrease was seen in both anti-apoptotic protein Bcl2 and pro-apoptotic Bax, followed by a time and region specific increase in Bax. An immediate elevation in ERK1/2 activity with no change in JNK may indicate an endogenous “first response” mechanism used to attenuate the forthcoming apoptosis. The time dependent increase in the severity of brain damage included an early bi-phasic activation of astrocytes, a sharp decrease in intact neuronal cells, a time dependent reduction in MAP2 and up to 15% of apoptosis. Thus, neuronal death is mostly due to necrosis and severe astrocytosis. The data suggests that timing of possible treatments should be determined by early events following exposure. For example, the biphasic changes in astrocytes activity indicate a possible beneficial effects of delayed anti-inflammatory intervention. - Highlights: • The severity of brain damage post 1LD50 sarin exposure is time dependent. • Sarin induce differential progression of early processes in the rat brain. • Potential treatments should be timed according to early events following exposure. • The biphasic astrocytes activity suggests a delay in anti-inflammatory intervention.
Joseph, Jane E.; Gathers, Ann D.; Bhatt, Ramesh S.
2011-01-01
Face processing undergoes a fairly protracted developmental time course but the neural underpinnings are not well understood. Prior fMRI studies have only examined progressive changes (i.e. increases in specialization in certain regions with age), which would be predicted by both the Interactive Specialization (IS) and maturational theories of…
Otero-Rey, Eva Maria; Suarez-Alen, Fatima; Peñamaria-Mallon, Manuel; Lopez-Lopez, Jose; Blanco-Carrion, Andres
2014-11-01
Oral lichen planus is a potentially malignant disorder with a capacity, although low, for malignant transformation. Of all the factors related to the process of malignant transformation, it is believed that the chronic inflammatory process plays a key role in the development of oral cancer. This inflammatory process is capable of providing a microenvironment based on different inflammatory cells and molecules that affect cellular growth, proliferation and differentiation. The objectives of our study are: to review the available evidence about the possible relationship between the chronic inflammatory process present in oral lichen planus and its malignant transformation, to discuss the potential therapeutic implications derived from this relationship and to study the role that topical corticosteroids play in the control of oral lichen planus inflammation and its possible progression to malignant transformation. The maintenance of a minimum dose of topical corticosteroids could prevent the inflammatory progression of oral lichen planus to oral cancer.
International Nuclear Information System (INIS)
Wu, Wei; Wang, Jin
2014-01-01
We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series
International Nuclear Information System (INIS)
Ammendola, G.; Parlato, L.; Peluso, G.; Pepe, G.
1998-01-01
Tunnel quasi-particle injection into a superconducting film provides useful information on the non-equilibrium state inside the perturbed superconductor as well as on the potential application to electronic devices. Three terminal injector-detector superconducting devices have a long history in non-equilibrium superconductivity. In the recent past non-equilibrium phenomena have attracted again considerable attention because of many superconducting based detectors involve processes substantially non-equilibrium in nature. The possibility of using a stacked double tunnel junction to study the influence of non-equilibrium superconductivity on the Josephson critical current is now considered. An experimental study of the effect of quasi-particle injection on the Josephson current both in steady-state and pulsed experiments down to T=1.2 K is presented using 3 terminal Nb-based stacked double tunnel devices. The feasibility of a new class of particle detectors based on the direct measurement of the change in the Josephson current following the absorption of a X-ray quantum is also discussed in terms of non-equilibrium theories. (orig.)
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
Majorana fermion modulated nonequilibrium transport through double quantum dots
International Nuclear Information System (INIS)
Deng, Ming-Xun; Wang, Rui-Qiang; Ai, Bao-Quan; Yang, Mou; Hu, Liang-Bin; Zhong, Qing-Hu; Wang, Guang-Hui
2014-01-01
Nonequilibrium electronic transports through a double-QD-Majorana coupling system are studied with a purpose to extract the information to identify Majorana bound states (MBSs). It is found that MBSs can help form various transport processes, including the nonlocal crossed Andreev reflection, local resonant Andreev reflection, and cotunneling, depending on the relative position of two dot levels. These processes enrich the signature of average currents and noise correlations to probe the nature of MBSs. We further demonstrate the switching between the current peaks of crossed Andreev reflection and cotunneling, which is closely related to the nonlocal nature of Majorana fermions. We also propose effective physical pictures to understand these Majorana-assisted transports. - Highlights: • Majorana fermions are characterized in the signature of currents and noises. • Three types of tunneling mechanisms are realized separately. • The switching of crossed Andreev reflection and cotunneling is realized. • Concrete physical pictures are proposed to understand Majorana-assisted transports
Majorana fermion modulated nonequilibrium transport through double quantum dots
Energy Technology Data Exchange (ETDEWEB)
Deng, Ming-Xun [Laboratory of Quantum Engineering and Quantum Materials, ICMP and SPTE, South China Normal University, Guangzhou 510006 (China); Wang, Rui-Qiang, E-mail: rqwanggz@163.com [Laboratory of Quantum Engineering and Quantum Materials, ICMP and SPTE, South China Normal University, Guangzhou 510006 (China); Ai, Bao-Quan; Yang, Mou; Hu, Liang-Bin; Zhong, Qing-Hu [Laboratory of Quantum Engineering and Quantum Materials, ICMP and SPTE, South China Normal University, Guangzhou 510006 (China); Wang, Guang-Hui [Laboratory of Nanophotonic Functional Materials and Devices, South China Normal University, Guangzhou 510006 (China)
2014-06-13
Nonequilibrium electronic transports through a double-QD-Majorana coupling system are studied with a purpose to extract the information to identify Majorana bound states (MBSs). It is found that MBSs can help form various transport processes, including the nonlocal crossed Andreev reflection, local resonant Andreev reflection, and cotunneling, depending on the relative position of two dot levels. These processes enrich the signature of average currents and noise correlations to probe the nature of MBSs. We further demonstrate the switching between the current peaks of crossed Andreev reflection and cotunneling, which is closely related to the nonlocal nature of Majorana fermions. We also propose effective physical pictures to understand these Majorana-assisted transports. - Highlights: • Majorana fermions are characterized in the signature of currents and noises. • Three types of tunneling mechanisms are realized separately. • The switching of crossed Andreev reflection and cotunneling is realized. • Concrete physical pictures are proposed to understand Majorana-assisted transports.
Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.
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).
Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation
Energy Technology Data Exchange (ETDEWEB)
Nilmeier, J. P.; Crooks, G. E.; Minh, D. D. L.; Chodera, J. D.
2011-10-24
Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also rapidly sample uncorrelated configurations. Here, we introduce a new class of moves based on nonequilibrium dynamics: candidate configurations are generated through a finite-time process in which a system is actively driven out of equilibrium, and accepted with criteria that preserve the equilibrium distribution. The acceptance rule is similar to the Metropolis acceptance probability, but related to the nonequilibrium work rather than the instantaneous energy difference. Our method is applicable to sampling from both a single thermodynamic state or a mixture of thermodynamic states, and allows both coordinates and thermodynamic parameters to be driven in nonequilibrium proposals. While generating finite-time switching trajectories incurs an additional cost, driving some degrees of freedom while allowing others to evolve naturally can lead to large enhancements in acceptance probabilities, greatly reducing structural correlation times. Using nonequilibrium driven processes vastly expands the repertoire of useful Monte Carlo proposals in simulations of dense solvated systems.
Progressive apraxia of speech as a window into the study of speech planning processes.
Laganaro, Marina; Croisier, Michèle; Bagou, Odile; Assal, Frédéric
2012-09-01
We present a 3-year follow-up study of a patient with progressive apraxia of speech (PAoS), aimed at investigating whether the theoretical organization of phonetic encoding is reflected in the progressive disruption of speech. As decreased speech rate was the most striking pattern of disruption during the first 2 years, durational analyses were carried out longitudinally on syllables excised from spontaneous, repetition and reading speech samples. The crucial result of the present study is the demonstration of an effect of syllable frequency on duration: the progressive disruption of articulation rate did not affect all syllables in the same way, but followed a gradient that was function of the frequency of use of syllable-sized motor programs. The combination of data from this case of PAoS with previous psycholinguistic and neurolinguistic data, points to a frequency organization of syllable-sized speech-motor plans. In this study we also illustrate how studying PAoS can be exploited in theoretical and clinical investigations of phonetic encoding as it represents a unique opportunity to investigate speech while it progressively disrupts. Copyright © 2011 Elsevier Srl. All rights reserved.
Deformation processes in refractory metals. Progress report, 1 December 1974--30 November 1975
International Nuclear Information System (INIS)
Donoso, J.R.; Reed-Hill, R.E.
1975-01-01
Work in progress is mostly concerned with the stress-strain behavior of niobium, as affected by dynamic strain aging. An investigation of the aging phenomena in nickel containing carbon as the major interstitial impurity was also conducted. Some aspects of the deformation behavior of the hexagonal metals titanium and zirconium still warrant investigation and are also being considered. (auth)
Generalized nonequilibrium capillary relations for two-phase flow through heterogeneous media.
Amaziane, Brahim; Milišić, Josipa Pina; Panfilov, Mikhail; Pankratov, Leonid
2012-01-01
For two-phase flow in porous media, the natural medium heterogeneity necessarily gives rise to capillary nonequilibrium effects. The relaxation to the equilibrium is a slow process which should be introduced in macroscopic flow models. Many nonequilibrium models are based on a phenomenological approach. At the same time there exists a rigorous mathematical way to develop the nonequilibrium equations. Its formalism, developed by Bourgeat and Panfilov [Computational Geosciences 2, 191 (1998)], is based on the homogenization of the microscale flow equations over medium heterogeneities. In contrast with the mentioned paper, in which the case of a sufficiently fast relaxation was analyzed, we consider the case of long relaxation, which leads to the appearance of long-term memory on the macroscale. Due to coupling between the nonlinearity and nonlocality in time, the macroscopic model remains, however, incompletely homogenized, in the general case. At the same time, frequently only the relationship for the nonequilibrium capillary pressure is of interest for applications. In the present paper, we obtain such an exact relationship in two different independent forms for the case of long-term memory. This relationship is more general than that obtained by Bourgeat and Panfilov. In addition, we prove the comparison theorem which determines the upper and lower bounds for the macroscopic model. These bounds represent linear flow models, which are completely homogenized. The results obtained are illustrated by numerical simulations.
Simple models of equilibrium and nonequilibrium phenomena
International Nuclear Information System (INIS)
Lebowitz, J.L.
1987-01-01
This volume consists of two chapters of particular interest to researchers in the field of statistical mechanics. The first chapter is based on the premise that the best way to understand the qualitative properties that characterize many-body (i.e. macroscopic) systems is to study 'a number of the more significant model systems which, at least in principle are susceptible of complete analysis'. The second chapter deals exclusively with nonequilibrium phenomena. It reviews the theory of fluctuations in open systems to which they have made important contributions. Simple but interesting model examples are emphasised
Universality in Nonequilibrium Lattice Systems Theoretical Foundations
Ódor, Géza
2008-01-01
Universal scaling behavior is an attractive feature in statistical physics because a wide range of models can be classified purely in terms of their collective behavior due to a diverging correlation length. This book provides a comprehensive overview of dynamical universality classes occurring in nonequilibrium systems defined on regular lattices. The factors determining these diverse universality classes have yet to be fully understood, but the book attempts to summarize our present knowledge, taking them into account systematically.The book helps the reader to navigate in the zoo of basic m
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
Origins of scaling relations in nonequilibrium growth
International Nuclear Information System (INIS)
Escudero, Carlos; Korutcheva, Elka
2012-01-01
Scaling and hyperscaling laws provide exact relations among critical exponents describing the behavior of a system at criticality. For nonequilibrium growth models with a conserved drift, there exist few of them. One such relation is α + z = 4, found to be inexact in a renormalization group calculation for several classical models in this field. Herein, we focus on the two-dimensional case and show that it is possible to construct conserved surface growth equations for which the relation α + z = 4 is exact in the renormalization group sense. We explain the presence of this scaling law in terms of the existence of geometric principles dominating the dynamics. (paper)
Jeřábek, Petr; Bukovská, Zita; Morales, Luiz F. G.
2017-04-01
The micro-scale shear zones (shear bands) in granitoids from the South Armorican Shear Zone reflect localization of deformation and progressive weakening in the conditions of brittle-ductile transition. We studied microstructures in the shear bands with the aim to establish their P-T conditions and to derive stress and strain rates for specific deformation mechanisms. The evolving microstructure within shear bands documents switches in deformation mechanisms related to positive feedbacks between deformation and chemical processes and imposes mechanical constraints on the evolution of the brittle-ductile transition in the continental transform fault domains. The metamorphic mineral assemblage present in the shear bands indicate their formation at 300-350 ˚ C and 100-400 MPa. Focusing on the early development of shear bands, we identified three stages of shear band evolution. The early stage I associated with initiation of shear bands occurs via formation of microcracks with possible yielding differential stress of up to 250 MPa (Diamond and Tarantola, 2015). Stage II is associated with subgrain rotation recrystallization and dislocation creep in quartz and coeval dissolution-precipitation creep of microcline. Recrystallized quartz grains in shear bands show continual increase in size, and decrease in stress and strain rates from 94 MPa to 17-26 MPa (Stipp and Tullis, 2003) and 3.8*10-12 s-1- 1.8*10-14 s-1 (Patterson and Luan, 1990) associated with deformation partitioning into weaker microcline layer and shear band widening. The quartz mechanical data allowed us to set some constrains for coeval dissolution-precipitation of microcline which at our estimated P-T conditions suggests creep at 17-26 MPa differential stress and 3.8*10-13 s-1 strain rate. Stage III is characterized by localized slip along interconnected white mica bands accommodated by dislocation creep at strain rate 3.8*10-12 s-1 and stress 9.36 MPa (Mares and Kronenberg, 1993). The studied example
Analysis of non-equilibrium phenomena in inductively coupled plasma generators
Energy Technology Data Exchange (ETDEWEB)
Zhang, W.; Panesi, M., E-mail: mpanesi@illinois.edu [University of Illinois at Urbana-Champaign, Urbana, Illinois 61822 (United States); Lani, A. [Von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse (Belgium)
2016-07-15
This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.
Exactly solvable nonequilibrium Langevin relaxation of a trapped nanoparticle
International Nuclear Information System (INIS)
Salazar, Domingos S P; Lira, Sérgio A
2016-01-01
In this work, we study the nonequilibrium statistical properties of the relaxation dynamics of a nanoparticle trapped in a harmonic potential. We report an exact time-dependent analytical solution to the Langevin dynamics that arises from the stochastic differential equation of our system’s energy in the underdamped regime. By utilizing this stochastic thermodynamics approach, we are able to completely describe the heat exchange process between the nanoparticle and the surrounding environment. As an important consequence of our results, we observe the validity of the heat exchange fluctuation theorem in our setup, which holds for systems arbitrarily far from equilibrium conditions. By extending our results for the case of N noninterating nanoparticles, we perform analytical asymptotic limits and direct numerical simulations that corroborate our analytical predictions. (paper)
Nonequilibrium quark production in the expanding QCD plasma
Tanji, Naoto; Berges, Jürgen
2018-02-01
We perform real-time lattice simulations of nonequilibrium quark production in the longitudinally expanding QCD plasma. Starting from a highly occupied gluonic state with vacuum quark sector, we extract the time evolution of quark and gluon number densities per unit transverse area and rapidity. The total quark number shows after an initial rapid increase an almost linear growth with time. Remarkably, this growth rate appears to be consistent with a simple kinetic theory estimate involving only two-to-two scattering processes in small-angle approximation. This extends previous findings about the role of two-to-two scatterings for purely gluonic dynamics in accordance with the early stages of the bottom-up thermalization scenario.
NATO Advanced Study Institute on Nonequilibrium Phonon Dynamics
1985-01-01
Phonons are always present in the solid state even at an absolute temperature of 0 K where zero point vibrations still abound. Moreover, phonons interact with all other excitations of the solid state and, thereby, influence most of its properties. Historically experimental information on phonon transport came from measurements of thermal conductivity. Over the past two decades much more, and much more detailed, information on phonon transport and on many of the inherent phonon interaction processes have come to light from experiments which use nonequilibrium phonons to study their dynamics. The resultant research field has most recently blossomed with the development of ever more sophisticated experimental and theoretical methods which can be applied to it. In fact, the field is moving so rapidly that new members of the research community have difficulties in keeping up to date. This NATO Advanced Study Institute (ASI) was organized with the objective of overcoming the information barrier between those expert...
Sampling rare events in nonequilibrium and nonstationary systems.
Berryman, Joshua T; Schilling, Tanja
2010-12-28
Although many computational methods for rare event sampling exist, this type of calculation is not usually practical for general nonequilibrium conditions, with macroscopically irreversible dynamics and away from both stationary and metastable states. A novel method for calculating the time-series of the probability of a rare event is presented which is designed for these conditions. The method is validated for the cases of the Glauber-Ising model under time-varying shear flow, the Kawasaki-Ising model after a quench into the region between nucleation dominated and spinodal decomposition dominated phase change dynamics, and the parallel open asymmetric exclusion process. The method requires a subdivision of the phase space of the system: it is benchmarked and found to scale well for increasingly fine subdivisions, meaning that it can be applied without detailed foreknowledge of the physically important reaction pathways.
Time-dependent perturbation theory for nonequilibrium lattice models
International Nuclear Information System (INIS)
Jensen, I.; Dickman, R.
1993-01-01
The authors develop a time-dependent perturbation theory for nonequilibrium interacting particle systems. They focus on models such as the contact process which evolve via destruction and autocatalytic creation of particles. At a critical value of the destruction rate there is a continuous phase transition between an active steady state and the vacuum state, which is absorbing. They present several methods for deriving series for the evolution starting from a single seed particle, including expansions for the ultimate survival probability in the super- and subcritical regions, expansions for the average number of particles in the subcritical region, and short-time expansions. Algorithms for computer generation of the various expansions are presented. Rather long series (24 terms or more) and precise estimates of critical parameters are presented. 45 refs., 4 figs., 9 tabs
International Nuclear Information System (INIS)
Wang Jintang
1990-01-01
The production of uranium mill tailings and their risk assessment are described. The moethods of uranium mill tailings disposal and management are criticized and the necessity of the researches for uranium mill tailings cleaning treatment and no-wasle uranium ore milling process are demonstrated. The progress for these researches in China and other countries with uranium production is reviewed, and the corresponding conclusions are reported
Nonequilibrium 2-hydroxyoctadecanoic acid monolayers: effect of electrolytes.
Lendrum, Conrad D; Ingham, Bridget; Lin, Binhua; Meron, Mati; Toney, Michael F; McGrath, Kathryn M
2011-04-19
2-Hydroxyacids display complex monolayer phase behavior due to the additional hydrogen bonding afforded by the presence of the second hydroxy group. The placement of this group at the position α to the carboxylic acid functionality also introduces the possibility of chelation, a utility important in crystallization including biomineralization. Biomineralization, like many biological processes, is inherently a nonequilibrium process. The nonequilibrium monolayer phase behavior of 2-hydroxyoctadecanoic acid was investigated on each of pure water, calcium chloride, sodium bicarbonate and calcium carbonate crystallizing subphases as a precursor study to a model calcium carbonate biomineralizing system, each at a pH of ∼6. The role of the bicarbonate co-ion in manipulating the monolayer structure was determined by comparison with monolayer phase behavior on a sodium chloride subphase. Monolayer phase behavior was probed using surface pressure/area isotherms, surface potential, Brewster angle microscopy, and synchrotron-based grazing incidence X-ray diffraction and X-ray reflectivity. Complex phase behavior was observed for all but the sodium chloride subphase with hydrogen bonding, electrostatic and steric effects defining the symmetry of the monolayer. On a pure water subphase hydrogen bonding dominates with three phases coexisting at low pressures. Introduction of calcium ions into the aqueous subphase ensures strong cation binding to the surfactant head groups through chelation. The monolayer becomes very unstable in the presence of bicarbonate ions within the subphase due to short-range hydrogen bonding interactions between the monolayer and bicarbonate ions facilitated by the sodium cation enhancing surfactant solubility. The combined effects of electrostatics and hydrogen bonding are observed on the calcium carbonate crystallizing subphase. © 2011 American Chemical Society
Progress in Root Cause and Fault Propagation Analysis of Large-Scale Industrial Processes
Directory of Open Access Journals (Sweden)
Fan Yang
2012-01-01
Full Text Available In large-scale industrial processes, a fault can easily propagate between process units due to the interconnections of material and information flows. Thus the problem of fault detection and isolation for these processes is more concerned about the root cause and fault propagation before applying quantitative methods in local models. Process topology and causality, as the key features of the process description, need to be captured from process knowledge and process data. The modelling methods from these two aspects are overviewed in this paper. From process knowledge, structural equation modelling, various causal graphs, rule-based models, and ontological models are summarized. From process data, cross-correlation analysis, Granger causality and its extensions, frequency domain methods, information-theoretical methods, and Bayesian nets are introduced. Based on these models, inference methods are discussed to find root causes and fault propagation paths under abnormal situations. Some future work is proposed in the end.
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...
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.
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.
Non-equilibrium many body dynamics
International Nuclear Information System (INIS)
Creutz, M.; Gyulassy, M.
1997-01-01
This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop
Nonequilibrium dynamical mean-field theory
Energy Technology Data Exchange (ETDEWEB)
Eckstein, Martin
2009-12-21
The aim of this thesis is the investigation of strongly interacting quantum many-particle systems in nonequilibrium by means of the dynamical mean-field theory (DMFT). An efficient numerical implementation of the nonequilibrium DMFT equations within the Keldysh formalism is provided, as well a discussion of several approaches to solve effective single-site problem to which lattice models such as the Hubbard-model are mapped within DMFT. DMFT is then used to study the relaxation of the thermodynamic state after a sudden increase of the interaction parameter in two different models: the Hubbard model and the Falicov-Kimball model. In the latter case an exact solution can be given, which shows that the state does not even thermalize after infinite waiting times. For a slow change of the interaction, a transition to adiabatic behavior is found. The Hubbard model, on the other hand, shows a very sensitive dependence of the relaxation on the interaction, which may be called a dynamical phase transition. Rapid thermalization only occurs at the interaction parameter which corresponds to this transition. (orig.)
Nonequilibrium dynamical mean-field theory
International Nuclear Information System (INIS)
Eckstein, Martin
2009-01-01
The aim of this thesis is the investigation of strongly interacting quantum many-particle systems in nonequilibrium by means of the dynamical mean-field theory (DMFT). An efficient numerical implementation of the nonequilibrium DMFT equations within the Keldysh formalism is provided, as well a discussion of several approaches to solve effective single-site problem to which lattice models such as the Hubbard-model are mapped within DMFT. DMFT is then used to study the relaxation of the thermodynamic state after a sudden increase of the interaction parameter in two different models: the Hubbard model and the Falicov-Kimball model. In the latter case an exact solution can be given, which shows that the state does not even thermalize after infinite waiting times. For a slow change of the interaction, a transition to adiabatic behavior is found. The Hubbard model, on the other hand, shows a very sensitive dependence of the relaxation on the interaction, which may be called a dynamical phase transition. Rapid thermalization only occurs at the interaction parameter which corresponds to this transition. (orig.)
Phase transitions in nonequilibrium traffic theory
Energy Technology Data Exchange (ETDEWEB)
Zhang, H.M.
2000-02-01
This paper uses the center difference scheme of Lax-Friedrichs to numerically solve a newly developed continuum traffic flow theory and the kinematic theory of Lighthill and Whitham, and Richards, and it studies the flow-concentration phase transitions in flow containing both shock and rarefaction waves. A homogeneous road with finite length was modeled by both theories. Numerical simulations show that both theories yield nearly identical results for two representative Riemann problems--one has a shock solution and the other a rarefaction wave solution. Their phase transition curves, however, are different: those derived from the new theory have two branches--one for acceleration flow and one for deceleration flow, whereas those derived from the LWR theory comprise a single curve--the equilibrium curve. The phase transition curves in the shock case agree well with certain experimental observations but disagree with others. This disagreement may be resolved by studying transitions among nonequilibrium states, which awaits further development of a more accurate finite difference approximation of the nonequilibrium theory.
Non-equilibrium many body dynamics
Energy Technology Data Exchange (ETDEWEB)
Creutz, M.; Gyulassy, M.
1997-09-22
This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.
Göppel, Tobias; Palyulin, Vladimir V; Gerland, Ulrich
2016-07-27
An out-of-equilibrium physical environment can drive chemical reactions into thermodynamically unfavorable regimes. Under prebiotic conditions such a coupling between physical and chemical non-equilibria may have enabled the spontaneous emergence of primitive evolutionary processes. Here, we study the coupling efficiency within a theoretical model that is inspired by recent laboratory experiments, but focuses on generic effects arising whenever reactant and product molecules have different transport coefficients in a flow-through system. In our model, the physical non-equilibrium is represented by a drift-diffusion process, which is a valid coarse-grained description for the interplay between thermophoresis and convection, as well as for many other molecular transport processes. As a simple chemical reaction, we consider a reversible dimerization process, which is coupled to the transport process by different drift velocities for monomers and dimers. Within this minimal model, the coupling efficiency between the non-equilibrium transport process and the chemical reaction can be analyzed in all parameter regimes. The analysis shows that the efficiency depends strongly on the Damköhler number, a parameter that measures the relative timescales associated with the transport and reaction kinetics. Our model and results will be useful for a better understanding of the conditions for which non-equilibrium environments can provide a significant driving force for chemical reactions in a prebiotic setting.
Natural Leathers from Natural Materials: Progressing toward a New Arena in Leather Processing
Saravanabhavan, Subramani; Thanikaivelan, Palanisamy; Rao, Jonnalagadda Raghava; Nair, Balachandran Unni; Ramasami, Thirumalachari
2004-01-01
Globally, the leather industry is currently undergoing radical transformation due to pollution and discharge legislations. Thus, the leather industry is pressurized to look for cleaner options for processing the raw hides and skins. Conventional methods of pre-tanning, tanning and post-tanning processes are known to contribute more than 98% of the total pollution load from the leather processing. The conventional method of the tanning process involves the “do−undo” pri...
Energy Technology Data Exchange (ETDEWEB)
Robbins, G.A.; Brandes, S.D.; Winschel, R.A.; Burke, F.P.
1992-03-01
CONSOL R&D is conducting a three-year program to characterize process and product streams from direct coal liquefaction process development projects. The program objectives are two-fold: (1) to obtain and provide appropriate samples of coal liquids for the evaluation of analytical methodology, and (2) to support ongoing DOE-sponsored coal liquefaction process development efforts. The two broad objectives have considerable overlap and together serve to provide a bridge between process development and analytical chemistry.
International Nuclear Information System (INIS)
Kvale, T.J.
1989-01-01
The main emphasis of this research effort is the simultaneous study of several of the scattering processes that occur in negative ion-atom collisions. These include: elastic scattering, target excitation/ionization, single electron detachment, and double electron detachment. The measurements will provide absolute total and differential cross sections for the aforementioned processes. These are extremely valuable in providing stringent tests of the approximations used in the various theoretical calculations. This period covers the first year of the grant and the vast majority of the activity was directed toward construction of the apparatus needed to carry out the proposed measurements. Progress toward these goals are summarized. 2 refs., 1 fig
Stephen F. McCool; David N. Cole
1997-01-01
Experience with Limits of Acceptable Change (LAC) and related planning processes has accumulated since the mid-1980's. These processes were developoed as a means of dealing with recreation carrying capacity issues in wilderness and National Parks. These processes clearly also have application outside of protected areas and to issues other than recreation...
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
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.
Research progress of novel adsorption processes in water purification:A review
Institute of Scientific and Technical Information of China (English)
无
2008-01-01
As an effective, efficient, and economic approach for water purification, adsorbents and adsorption processes have been widely studied and applied in different aspects for a long time. In the recent years, a lot of novel adsorption processes have been developed for enhancing the efficiency of removing the organic and inorganic contaminants from water. This article reviews some new adsorbents and advanced adsorption methods that specialize in their compositions, structures, functions, and characteristics used in water treatment. The review emphasizes adsorption/catalytic oxidation process, adsorption/catalytic reduction process, adsorption coupled with redox process, biomimetic sorbent and its sorption behaviors of POPs, and modified adsorbents and their water purification efficiency.
Progress of the decommissioning process of Musashi Institute of Technology reactor (4)
International Nuclear Information System (INIS)
Uchiyama, Takafumi; Tanzawa, Tomio; Mitsuhashi, Ishi; Morishima, Kayoko; Matsumoto, Tetsuo
2012-01-01
The research reactor of Tokyo City University Atomic Energy Research Laboratory (Musashi Institute of Technology reactor) is zirconium-moderated water-cooled solid homogeneous type (TRIGA-II type), and its maximum heat output is 100 kW. It got into the first critical state in January 1963, and since then, it has mainly contributed to education and training for upgrading nuclear engineers, radioactivation analysis and reactor physics, and medical researches, as the joint usage research facilities across Japan. Then, after a long-term suspension, the university submitted the file in 2004 to the Ministry of Education, Culture, Sports, Science and Technology on the dismantling for the purpose of facility abolishment. Through the procedure of submitting a decommissioning plan, it was approved. Furthermore, in order to perform the function stop of the disposal facilities of liquid waste, application for change authorization for the decommissioning plan was submitted and approved. Regarding the progress of the decommissioning plan, the dismantling and removal of waste facilities for liquid waste and solid waste was carried out in FY2011 without any trouble. This paper explains this progress and future work plans. (A.O.)
Nonequilibrium forces between atoms and dielectrics mediated by a quantum field
International Nuclear Information System (INIS)
Behunin, Ryan O.; Hu, Bei-Lok
2011-01-01
In this paper we give a first principles microphysics derivation of the nonequilibrium forces between an atom, treated as a three-dimensional harmonic oscillator, and a bulk dielectric medium modeled as a continuous lattice of oscillators coupled to a reservoir. We assume no direct interaction between the atom and the medium but there exist mutual influences transmitted via a common electromagnetic field. By employing concepts and techniques of open quantum systems we introduce coarse-graining to the physical variables--the medium, the quantum field, and the atom's internal degrees of freedom, in that order--to extract their averaged effects from the lowest tier progressively to the top tier. The first tier of coarse-graining provides the averaged effect of the medium upon the field, quantified by a complex permittivity (in the frequency domain) describing the response of the dielectric to the field in addition to its back action on the field through a stochastic forcing term. The last tier of coarse-graining over the atom's internal degrees of freedom results in an equation of motion for the atom's center of mass from which we can derive the force on the atom. Our nonequilibrium formulation provides a fully dynamical description of the atom's motion including back-action effects from all other relevant variables concerned. In the long-time limit we recover the known results for the atom-dielectric force when the combined system is in equilibrium or in a nonequilibrium stationary state.
International Nuclear Information System (INIS)
Kvale, T.J.
1994-01-01
This report describes the progress made on the research objectives during the past three years of the grant. This research project is designed to study various scattering processes which occur in H - collisions with atomic (specifically, noble gas and atomic hydrogen) targets in the intermediate energy region. These processes include: elastic scattering, single- and double-electron detachment, and target excitation/ionization. For the elastic and target inelastic processes where H - is scattered intact, the experimental technique of Ion Energy-Loss Spectroscopy (IELS) will be employed to identify the final target state(s). In most of the above processes, cross sections are unknown both experimentally and theoretically. The measurements will provide total cross sections (TCS) initially, and once the angular positioning apparatus is installed, will provide angular differential cross sections (ADCS)
Li, Gang
2015-01-01
This book presents an important technique to process organic photovoltaic devices. The basics, materials aspects and manufacturing of photovoltaic devices with solution processing are explained. Solution processable organic solar cells - polymer or solution processable small molecules - have the potential to significantly reduce the costs for solar electricity and energy payback time due to the low material costs for the cells, low cost and fast fabrication processes (ambient, roll-to-roll), high material utilization etc. In addition, organic photovoltaics (OPV) also provides attractive properties like flexibility, colorful displays and transparency which could open new market opportunities. The material and device innovations lead to improved efficiency by 8% for organic photovoltaic solar cells, compared to 4% in 2005. Both academic and industry research have significant interest in the development of this technology. This book gives an overview of the booming technology, focusing on the solution process fo...
Directory of Open Access Journals (Sweden)
Teng WANG
2017-02-01
Full Text Available During the high-power laser welding process, plasmas are induced by the evaporation of metal under laser radiation, which can affect the coupling of laser energy and the workpiece, and ultimately impact on the reliability of laser welding quality and process directly. The research of laser-induced plasma is a focus in high-power deep penetration welding field, which provides a promising research area for realizing the automation of welding process quality inspection. In recent years, the research of laser welding process dynamic monitoring technology based on plasma characteristics is mainly in two aspects, namely the research of plasma signal detection and the research of laser welding process modeling. The laser-induced plasma in the laser welding is introduced, and the related research of laser welding process dynamic monitoring technology based on plasma characteristics at home and abroad is analyzed. The current problems in the field are summarized, and the future development trend is put forward.
Neural correlates of successful and unsuccessful syntactic processing in primary progressive aphasia
Directory of Open Access Journals (Sweden)
Stephen M Wilson
2015-04-01
Our findings suggest that some of the regions modulated by a syntactic processing task reflect task-related functions such as working memory, attention, and executive function, specifically the anterior insula bilaterally, the supplementary motor cortex bilaterally, and left dorsal premotor cortex. In contrast, other regions were modulated only in individuals with relatively intact syntactic processing, namely the left inferior frontal junction, left posterior superior temporal sulcus, and left intraparietal sulcus, suggesting that these regions are important for syntactic processing.
International Nuclear Information System (INIS)
Brandyberry, M.D.; Baker, W.H.; Wittman, R.S.; Amos, C.N.
1993-01-01
The Accident Analysis in the Safety Analysis Report (SAR) for the Savannah River Site (SRS) Defense Waste Processing Facility (DWPF) has recently undergone an upgrade. Non-reactor SARs at SRS (and other Department of Energy (DOE) sites) use probabilistic techniques to assess the frequency of accidents at their facilities. This paper describes the application of an extension of the Accident Progression Event Tree (APET) approach to accidents at the SRS DWPF. The APET technique allows an integrated model of the facility risk to be developed, where previous probabilistic accident analyses have been limited to the quantification of the frequency and consequences of individual accident scenarios treated independently. Use of an APET allows a more structured approach, incorporating both the treatment of initiators that are common to more than one accident, and of accident progression at the facility
Present state and progress of industrial electron processing systems in Japan
International Nuclear Information System (INIS)
Sakamoto, I.; Mizusawa, K.
1983-01-01
A summary is given of the state of utilisation of electron processing systems in Japan, mainly for (1) cross-linking of wire and cable insulator, (2) heat shrinkable tube and sheet, (3) foamed polyethylene, and (4) curing of paint coats. Details are given of some of the electron processing systems. (U.K.)
Cecilio-Fernandes, Dario; Kerdijk, Wouter; Jaarsma, A. D. (Debbie) C.; Tio, Rene A.
2016-01-01
BACKGROUND: Beside acquiring knowledge, medical students should also develop the ability to apply and reflect on it, requiring higher-order cognitive processing. Ideally, students should have reached higher-order cognitive processing when they enter the clinical program. Whether this is the case, is
Progress of fusion fuel processing system development at the Japan Atomic Energy Research Institute
International Nuclear Information System (INIS)
Nishi, Masataka; Yamanishi, Toshihiko; Kawamura, Yoshinori; Iwai, Yasunori; Isobe, Kanetsugu; O'Hira, Shigeru; Hayashi, Takumi; Nakamura, Hirofumi; Kobayashi, Kazuhiro; Suzuki, Takumi; Yamada, Masayuki; Konishi, Satoshi
2000-01-01
The Tritium Process Laboratory (TPL) at the Japan Atomic Energy Research Institute has been working on the development of fuel processing technology for fusion reactors as a major activity. A fusion fuel processing loop was installed and is being tested with tritium under reactor relevant conditions. The loop at the TPL consists of ZrCo based tritium storage beds, a plasma exhaust processing system using a palladium diffuser and an electrolytic reactor, cryogenic distillation columns for isotope separation, and analytical systems based on newly developed micro gas chromatographs and Raman Spectroscopy. Several extended demonstration campaigns were performed under realistic reactor conditions to test tritiated impurity processing. A sophisticated control technique of distillation column was performed at the same time, and integrated fuel circulation was successfully demonstrated. Major recent design work on the International Thermonuclear Experimental Reactor (ITER) tritium plant at the TPL is devoted to water detritiation based on liquid phase catalytic exchange for improved tritium removal from waste water
International Nuclear Information System (INIS)
Brzychczyk, J.; Grotowski, K.; Majka, Z.; Micek, S.; Planeta, R.; Fabris, D.; Hagel, K.; Natowitz, J.B.; Nebbia, G.; Belery, P.; Cohilis, P.; El Masri, Y.; Gregoire, G.
1987-01-01
Measurement of fragment-fragment correlations in the reaction of 230 MeV 16 O with 40 Ca and of 280 MeV 32 S with 24 Mg have been used to isolate processes in which symmetric decay follows nonequilibrium emission of one or two alpha particles. At the higher energy per nucleon, in contrast to previous observations for lower velocity projectiles, nonequilibrium emission followed by symmetric decay has approximately the same probability as the symmetric fission following complete fusion. (orig.)
[Progress of sulfur fumigation and modern processing technology of Chinese traditional medicines].
Lu, Tu-Lin; Shan, Xin; Li, Lin; Mao, Chun-Qin; Ji, De; Yin, Fang-Zhou; Lang, Yong-Ying
2014-08-01
Infestation, moldy and other phenomenon in the processing and storage of Chinese herbal medicines is a problem that faced in the production of Chinese traditional medicine. The low productivity of traditional processing methods can not guarantee the quality of Chinese herbal medicines. Sulfur fumigation is the first choice of grassroots to process the Chinese herbal medicine with its low cost and easy operation. Sulfur fumigation can solve some problems in the processing and storage of Chinese herbal medicines, but modern pharmacological studies show that long-term use of Chinese traditional medicine which is fumigated by sulfur can cause some serious harm to human liver, kidney and other organs. This paper conducts a review about the application history of sulfur fumigation, its influence to the quality of Chinese herbal medicines as well as domestic and foreign limits to sulfur quantity, and a brief introduction of the status of modern processing technologies in the processing of food and some Chinese herbal medicines, the problems ex- isting in the Chinese herbal medicines processing, which can provide a reference basis for the further research, development and application of investigating alternative technologies of sulfur fumigation.
Natural leathers from natural materials: progressing toward a new arena in leather processing.
Saravanabhavan, Subramani; Thanikaivelan, Palanisamy; Rao, Jonnalagadda Raghava; Nair, Balachandran Unni; Ramasami, Thirumalachari
2004-02-01
Globally, the leather industry is currently undergoing radical transformation due to pollution and discharge legislations. Thus, the leather industry is pressurized to look for cleaner options for processing the raw hides and skins. Conventional methods of pre-tanning, tanning and post-tanning processes are known to contribute more than 98% of the total pollution load from the leather processing. The conventional method of the tanning process involves the "do-undo" principle. Furthermore, the conventional methods employed in leather processing subject the skin/ hide to a wide variation in pH (2.8-13.0). This results in the emission of huge amounts of pollution loads such as BOD, COD, TDS, TS, sulfates, chlorides and chromium. In the approach illustrated here, the hair and flesh removal as well as fiber opening have been achieved using biocatalysts at pH 8.0, pickle-free natural tanning employing vegetable tannins, and post-tanning using environmentally friendly chemicals. Hence, this process involves dehairing, fiber opening, and pickle-free natural tanning followed by ecofriendly post-tanning. It has been found that the extent of hair removal and opening up of fiber bundles is comparable to that of conventionally processed leathers. This has been substantiated through scanning electron microscopic analysis and softness measurements. Performance of the leathers is shown to be on par with conventionally chrome-tanned leathers through physical and hand evaluation. The process also exhibits zero metal (chromium) discharge and significant reduction in BOD, COD, TDS, and TS loads by 83, 69, 96, and 96%, respectively. Furthermore, the developed process seems to be economically viable.
Personal Review: Progress and prospect in electro-Fenton process for wastewater treatment
Institute of Scientific and Technical Information of China (English)
JIANG Cheng-chun; ZHANG Jia-fa
2007-01-01
As a novel advanced oxidation process (AOP), electro-Fenton process is powerful for degrading most organic compounds including toxic and non-biodegradable ones, and so has attracted great attention. This paper reviews this process in detail including the mechanism, electrolytic bath, electrode materials, aerations and operation parameters. The application of electro-Fenton method in wastewater treatment is evaluated and summarized. Future work in this field is suggested, and three main directions of new electrode exploitation, development of assisted technologies and mechanistic study should be strengthened.
Non-equilibrium effects in the plasmas
International Nuclear Information System (INIS)
Einfeld, D.
1975-01-01
Radial dependences of non-equilibrium effects of a He plasma were studied in a wall-stabilized short-time discharge. The electron density (nsub(e) = 2.5 x 10 22 m -3 ), the electron temperature and the equilibrium shift were determined by calculations of the continuum beam density and the beam densities of one He-I and one He-II line, respectively. In the discharge axis, the overpopulation factors of the ground state of He-I and He-II are about 75. As the distance to the axis increases, they increase for He-I and decrease for He-II. Except for the usual errors of measurement, the overpopulation factors found here correspond to those calculated from the balance equations (Drawin). (orig./AK) [de
Landau superfluids as nonequilibrium stationary states
International Nuclear Information System (INIS)
Wreszinski, Walter F.
2015-01-01
We define a superfluid state to be a nonequilibrium stationary state (NESS), which, at zero temperature, satisfies certain metastability conditions, which physically express that there should be a sufficiently small energy-momentum transfer between the particles of the fluid and the surroundings (e.g., pipe). It is shown that two models, the Girardeau model and the Huang-Yang-Luttinger (HYL) model, describe superfluids in this sense and, moreover, that, in the case of the HYL model, the metastability condition is directly related to Nozières’ conjecture that, due to the repulsive interaction, the condensate does not suffer fragmentation into two (or more) parts, thereby assuring its quantum coherence. The models are rigorous examples of NESS in which the system is not finite, but rather a many-body system
Non-equilibrium quantum heat machines
Alicki, Robert; Gelbwaser-Klimovsky, David
2015-11-01
Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.
Nonequilibrium Thermodynamics of Driven Disordered Materials
Bouchbinder, Eran
2011-03-01
We present a nonequilibrium thermodynamic framework for describing the dynamics of driven disordered solids (noncrystalline solids near and below their glass temperature, soft glassy materials such as colloidal suspensions and heavily dislocated polycrystalline solids). A central idea in our approach is that the set of mechanically stable configurations, i.e. the part of the system that is described by inherent structures, evolves slowly as compared to thermal vibrations and is characterized by an effective disorder temperature. Our thermodynamics-motivated equations of motion for the flow of energy and entropy are supplemented by coarse-grained internal variables that carry information about the relevant microscopic physics. Applications of this framework to amorphous visco-plasticity (Shear-Transformation-Zone theory), glassy memory effects (the Kovacs effect) and dislocation-mediated polycrystalline plasticity will be briefly discussed.
Nonequilibrium Chromosome Looping via Molecular Slip Links
Brackley, C. A.; Johnson, J.; Michieletto, D.; Morozov, A. N.; Nicodemi, M.; Cook, P. R.; Marenduzzo, D.
2017-09-01
We propose a model for the formation of chromatin loops based on the diffusive sliding of molecular slip links. These mimic the behavior of molecules like cohesin, which, along with the CTCF protein, stabilize loops which contribute to organizing the genome. By combining 3D Brownian dynamics simulations and 1D exactly solvable nonequilibrium models, we show that diffusive sliding is sufficient to account for the strong bias in favor of convergent CTCF-mediated chromosome loops observed experimentally. We also find that the diffusive motion of multiple slip links along chromatin is rectified by an intriguing ratchet effect that arises if slip links bind to the chromatin at a preferred "loading site." This emergent collective behavior favors the extrusion of loops which are much larger than the ones formed by single slip links.
Magnetic polarons in a nonequilibrium polariton condensate
Mietki, Paweł; Matuszewski, Michał
2017-09-01
We consider a condensate of exciton polaritons in a diluted magnetic semiconductor microcavity. Such a system may exhibit magnetic self-trapping in the case of sufficiently strong coupling between polaritons and magnetic ions embedded in the semiconductor. We investigate the effect of the nonequilibrium nature of exciton polaritons on the physics of the resulting self-trapped magnetic polarons. We find that multiple polarons can exist at the same time, and we derive a critical condition for self-trapping that is different from the one predicted previously in the equilibrium case. Using the Bogoliubov-de Gennes approximation, we calculate the excitation spectrum and provide a physical explanation in terms of the effective magnetic attraction between polaritons, mediated by the ion subsystem.
Anomalous properties of hot dense nonequilibrium plasmas
International Nuclear Information System (INIS)
Ferrante, G; Zarcone, M; Uryupin, S A
2005-01-01
A concise overview of a number of anomalous properties of hot dense nonequilibrium plasmas is given. The possibility of quasistationary megagauss magnetic field generation due to Weibel instability is discussed for plasmas created in atom tunnel ionization. The collisionless absorption and reflection of a test electromagnetic wave normally impinging on the plasma with two-temperature bi-maxwellian electron velocity distribution function are studied. Due to the wave magnetic field influence on the electron kinetics in the skin layer the wave absorption and reflection significantly depend on the degree of the electron temperature anisotropy. The linearly polarized impinging wave during reflection transforms into an elliptically polarized one. The problem of transmission of an ultrashort laser pulse through a layer of dense plasma, formed as a result of ionization of a thin foil, is considered. It is shown that the strong photoelectron distribution anisotropy yields an anomalous penetration of the wave field through the foil
Non-equilibrium quantum heat machines
International Nuclear Information System (INIS)
Alicki, Robert; Gelbwaser-Klimovsky, David
2015-01-01
Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound. (paper)
MMS two-phase nonequilibrium pressurizer
International Nuclear Information System (INIS)
Oh, S.J.; Sursock, J.P.
1987-01-01
The pressurizer of a nuclear steam supply system establishes and maintains the nuclear plant primary loop pressure within the prescribed limit. It is a vertical cylindrical vessel which provides a water reserve and a steam surge chamber to accommodate coolant density changes during operation. To adjust the pressure to a desired value, electric heaters are provided in its lower section and the spray nozzles are provided in its upper section. Also, to protect against the buildup of the excess pressure, the pressurizer has two different types of relief valves, i.e., power operated relief valve and the safety relief valve. The pressurizer model implemented to the MMS is described in detail. In particular, the handling of the nonequilibrium condition, surgeline CCFL (Counter-current Flooding Limitation), and the level tracking model are described in detail. Next, the simulation of the Shippingport pressurizer load drop test is reported
Colloidal agglomerates in tank sludge: Impact on waste processing. 1997 annual progress report
Energy Technology Data Exchange (ETDEWEB)
Virden, J.W.
1997-06-01
'Disposal of millions of gallons of existing radioactive wastes is a major remediation problem for the Department of Energy (DOE). Although radionuclides are the most hazardous waste con- stituents. the components of greatest concern from a waste processing standpoint are insoluble sludges consisting of submicron colloidal particles. Depending on processing conditions, these colloidal particles can form agglomerate networks that could clog transfer lines or interfere with solid-liquid separations such as settle-decant operations. Under different conditions, the particles can be dispersed to form very fine suspended particles that will not create sediment in settle- decant steps and that can foul and contaminate downstream treatment components including ion exchangers or filtrations systems. Given the wide range of tank chemistries present at Hanford and other DOE sites, it is impractical to measure the properties of all potential processing conditions to design effective treatment procedures. Instead. a framework needs to be established to allow sludge property trends to be predicted on a sound scientific basis. The scientific principles of greatest utility in characterizing, understanding, and controlling the physical properties of sludge fall in the realm of colloid chemistry. The objectives of this work are to accomplish the following: understand the factors controlling the nature and extent of colloidal agglomeration under expected waste processing conditions determine how agglomeration phenomena influence physical properties relevant to waste processing including rheology, sedimentation. and filtration develop strategies for optimizing processing conditions via control of agglomeration phenomena.'
Colloidal agglomerates in tank sludge: Impact on waste processing. 1997 annual progress report
International Nuclear Information System (INIS)
Virden, J.W.
1997-01-01
'Disposal of millions of gallons of existing radioactive wastes is a major remediation problem for the Department of Energy (DOE). Although radionuclides are the most hazardous waste constituents. the components of greatest concern from a waste processing standpoint are insoluble sludges consisting of submicron colloidal particles. Depending on processing conditions, these colloidal particles can form agglomerate networks that could clog transfer lines or interfere with solid-liquid separations such as settle-decant operations. Under different conditions, the particles can be dispersed to form very fine suspended particles that will not create sediment in settle- decant steps and that can foul and contaminate downstream treatment components including ion exchangers or filtrations systems. Given the wide range of tank chemistries present at Hanford and other DOE sites, it is impractical to measure the properties of all potential processing conditions to design effective treatment procedures. Instead. a framework needs to be established to allow sludge property trends to be predicted on a sound scientific basis. The scientific principles of greatest utility in characterizing, understanding, and controlling the physical properties of sludge fall in the realm of colloid chemistry. The objectives of this work are to accomplish the following: understand the factors controlling the nature and extent of colloidal agglomeration under expected waste processing conditions determine how agglomeration phenomena influence physical properties relevant to waste processing including rheology, sedimentation. and filtration develop strategies for optimizing processing conditions via control of agglomeration phenomena.'
Lindström, Nils O; De Sena Brandine, Guilherme; Tran, Tracy; Ransick, Andrew; Suh, Gio; Guo, Jinjin; Kim, Albert D; Parvez, Riana K; Ruffins, Seth W; Rutledge, Elisabeth A; Thornton, Matthew E; Grubbs, Brendan; McMahon, Jill A; Smith, Andrew D; McMahon, Andrew P
2018-06-04
Mammalian nephrons arise from a limited nephron progenitor pool through a reiterative inductive process extending over days (mouse) or weeks (human) of kidney development. Here, we present evidence that human nephron patterning reflects a time-dependent process of recruitment of mesenchymal progenitors into an epithelial nephron precursor. Progressive recruitment predicted from high-resolution image analysis and three-dimensional reconstruction of human nephrogenesis was confirmed through direct visualization and cell fate analysis of mouse kidney organ cultures. Single-cell RNA sequencing of the human nephrogenic niche provided molecular insights into these early patterning processes and predicted developmental trajectories adopted by nephron progenitor cells in forming segment-specific domains of the human nephron. The temporal-recruitment model for nephron polarity and patterning suggested by direct analysis of human kidney development provides a framework for integrating signaling pathways driving mammalian nephrogenesis. Copyright © 2018 Elsevier Inc. All rights reserved.
Nanoscale hotspots due to nonequilibrium thermal transport
International Nuclear Information System (INIS)
Sinha, Sanjiv; Goodson, Kenneth E.
2004-01-01
Recent experimental and modeling efforts have been directed towards the issue of temperature localization and hotspot formation in the vicinity of nanoscale heat generating devices. The nonequilibrium transport conditions which develop around these nanoscale devices results in elevated temperatures near the heat source which can not be predicted by continuum diffusion theory. Efforts to determine the severity of this temperature localization phenomena in silicon devices near and above room temperature are of technological importance to the development of microelectronics and other nanotechnologies. In this work, we have developed a new modeling tool in order to explore the magnitude of the additional thermal resistance which forms around nanoscale hotspots from temperatures of 100-1000K. The models are based on a two fluid approximation in which thermal energy is transferred between ''stationary'' optical phonons and fast propagating acoustic phonon modes. The results of the model have shown excellent agreement with experimental results of localized hotspots in silicon at lower temperatures. The model predicts that the effect of added thermal resistance due to the nonequilibrium phonon distribution is greatest at lower temperatures, but is maintained out to temperatures of 1000K. The resistance predicted by the numerical code can be easily integrated with continuum models in order to predict the temperature distribution around nanoscale heat sources with improved accuracy. Additional research efforts also focused on the measurements of the thermal resistance of silicon thin films at higher temperatures, with a focus on polycrystalline silicon. This work was intended to provide much needed experimental data on the thermal transport properties for micro and nanoscale devices built with this material. Initial experiments have shown that the exposure of polycrystalline silicon to high temperatures may induce recrystallization and radically increase the thermal
Unlikely Fluctuations and Non-Equilibrium Work Theorems-A Simple Example.
Muzikar, Paul
2016-06-30
An exciting development in statistical mechanics has been the elucidation of a series of surprising equalities involving the work done during a nonequilibrium process. Astumian has presented an elegant example of such an equality, involving a colloidal particle undergoing Brownian motion in the presence of gravity. We analyze this example; its simplicity, and its link to geometric Brownian motion, allows us to clarify the inner workings of the equality. Our analysis explicitly shows the important role played by large, unlikely fluctuations.
International Nuclear Information System (INIS)
Csernai, L.P.; Lukacs, B.
1984-04-01
In a fluid-dynamical model the extra entropy production is calculated which arises from a non-equilibrium phase transition from nuclear to quark matter. The dynamics of processes producing extra entropy are treated in linear approximation. It is shown that there is a considerable extra entropy production provided the transition is not too fast. In measuring the entropy at the break-up, an excess entropy might signalize the phase transition to a transient quark-gluon plasma. (D.Gy.)
International Nuclear Information System (INIS)
Minelli, Matteo; Doghieri, Ferruccio
2014-01-01
Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps
International Nuclear Information System (INIS)
Frank, T.D.
2002-01-01
We study many particle systems in the context of mean field forces, concentration-dependent diffusion coefficients, generalized equilibrium distributions, and quantum statistics. Using kinetic transport theory and linear nonequilibrium thermodynamics we derive for these systems a generalized multivariate Fokker-Planck equation. It is shown that this Fokker-Planck equation describes relaxation processes, has stationary maximum entropy distributions, can have multiple stationary solutions and stationary solutions that differ from Boltzmann distributions
First principles modeling of hydrocarbons conversion in non-equilibrium plasma
Energy Technology Data Exchange (ETDEWEB)
Deminsky, M.A.; Strelkova, M.I.; Durov, S.G.; Jivotov, V.K.; Rusanov, V.D.; Potapkin, B.V. [Russian Research Centre Kurchatov Inst., Moscow (Russian Federation)
2001-07-01
Theoretical justification of catalytic activity of non-equilibrium plasma in hydrocarbons conversion process is presented in this paper. The detailed model of highest hydrocarbons conversion includes the gas-phase reactions, chemistry of the growth of polycyclic aromatic hydrocarbons (PAHs), precursor of soot particles formation, neutral, charged clusters and soot particle formation, ion-molecular gas-phase and heterogeneous chemistry. The results of theoretical analysis are compared with experimental results. (authors)
International Nuclear Information System (INIS)
Kalinich, D.A.; Thomas, J.K.; Gough, S.T.; Bailey, R.T.; Kearnaghan, D.P.
1995-01-01
In the Defense Waste Processing Facility (DWPF) Safety Analysis Reports (SARs) for the Savannah River Site (SRS), risk-based perspectives have been included per US Department of Energy (DOE) Order 5480.23. The NUREG-1150 Level 2/3 Probabilistic Risk Assessment (PRA) methodology was selected as the basis for calculating facility risk. The backbone of this methodology is the generation of an Accident Progression Event Tree (APET), which is solved using the EVNTRE computer code. To support the development of the DWPF APET, deterministic modeling of accident phenomena was necessary. From these analyses, (1) accident progressions were identified for inclusion into the APET; (2) branch point probabilities and any attendant parameters were quantified; and (3) the radionuclide releases to the environment from accidents were determined. The phenomena of interest for accident progressions included explosions, fires, a molten glass spill, and the response of the facility confinement system during such challenges. A variety of methodologies, from hand calculations to large system-model codes, were used in the evaluation of these phenomena
Perovskites-Based Solar Cells: A Review of Recent Progress, Materials and Processing Methods
Directory of Open Access Journals (Sweden)
Zhengqi Shi
2018-05-01
Full Text Available With the rapid increase of efficiency up to 22.1% during the past few years, hybrid organic-inorganic metal halide perovskite solar cells (PSCs have become a research “hot spot” for many solar cell researchers. The perovskite materials show various advantages such as long carrier diffusion lengths, widely-tunable band gap with great light absorption potential. The low-cost fabrication techniques together with the high efficiency makes PSCs comparable with Si-based solar cells. But the drawbacks such as device instability, J-V hysteresis and lead toxicity reduce the further improvement and the future commercialization of PSCs. This review begins with the discussion of crystal and electronic structures of perovskite based on recent research findings. An evolution of PSCs is also analyzed with a greater detail of each component, device structures, major device fabrication methods and the performance of PSCs acquired by each method. The following part of this review is the discussion of major barriers on the pathway for the commercialization of PSCs. The effects of crystal structure, fabrication temperature, moisture, oxygen and UV towards the stability of PSCs are discussed. The stability of other components in the PSCs are also discussed. The lead toxicity and updated research progress on lead replacement are reviewed to understand the sustainability issues of PSCs. The origin of J-V hysteresis is also briefly discussed. Finally, this review provides a roadmap on the current needs and future research directions to address the main issues of PSCs.
Yeh, Mei-Yu; Che, Hui-Lian; Wu, Shu-Mei
2009-11-24
Most people being treated for alcoholism are unable to successfully quit drinking within their treatment programs. In few cases do we know the full picture of how abstinence is achieved in Taiwan. We tracked processes of abstinence in alcohol-dependency disorders, based on study evidence and results. This research explores the process of recovery from the viewpoint of the alcohol-dependent. Semi-structured interviews were conducted in two different settings, using purpose sampling, during 2003-2004. The data were analyzed using content analysis. Participants were 32 adults, purposefully selected from an Alcoholics Anonymous group and a psychiatric hospital in North Taiwan. We found that the abstinence process is an ongoing process, in which the alcohol-dependent free themselves of addiction progressively. This process never ends or resolves in complete recovery. We have identified three stages in the struggle against alcoholism: the Indulgence, Ambivalence and Attempt (IAA) cycle, in which the sufferer is trapped in a cycle of attempting to give up and failing; the Turning Point, in which a Personal Nadir is reached, and the Ongoing Process of abstinence, in which a constant effort is made to remain sober through willpower and with the help of support groups. We also discuss Influencing Factors that can derail abstinence attempts, pushing the sufferer back into the IAA cycle. This study provides important points of reference for alcohol and drug service workers and community healthcare professionals in Taiwan, casting light on the abstinence process and providing a basis for intervention or rehabilitation services.
Aqueous electrochemical mechanisms in actinide residue processing. 1998 annual progress report
International Nuclear Information System (INIS)
Blanchard, D.L. Jr.; Burns, C.J.; Morris, D.E.; Smith, W.H.
1998-01-01
'New and/or improved solutions to the stabilization and volume reduction of nuclear materials processing residues are urgently needed. Mediated electrochemical oxidation/reduction (MEO/R) processes are one such approach for incinerator ash, combustibles, and other solid residues. However, questions remain concerning the mechanisms of these processes, and how they might be optimized. In addition, further research is merited to extend their range of applicability. Recent advances in the study of heterogeneous electron transfer in solid substrates have opened the door for the re-examination of electron transfer processes associated with redox mediated actinide dissolution. The authors develop a deeper understanding of the thermodynamic and mechanistic aspects of heterogeneous electron transfer that lie at the heart of these MEO/R processes. They will also develop and test new approaches based on the results of these fundamental studies using actual residue materials. Key aspects of this proposal include: (1) determination of the potential windows for oxidation/reduction of colloidal actinide oxides and actinide-bearing oxide and organic substrates and the e transfer kinetic parameters that govern the current--overpotential characteristics; (2) development of adaptations of mediation schemes and application of co-mediation reagents for oxidative and reductive dissolution based on complexation of the surface-bound or solid-phase actinides and/or the dissolved redox mediator;and (3) execution of bench-scale tests of new MEO/R schemes on actual residue materials.'
DEFF Research Database (Denmark)
Yuan, Zhihong; Chen, Bingzhen; Sin, Gürkan
2012-01-01
‐based frameworks that are capable of screening alternative designs, and (2) optimization‐based frameworks that integrate the process design and control system design. The major objective is to give an up‐to‐date review of the state‐of‐the‐art and progress in the challenging area of optimization‐based simultaneous...... design and control. First, motivations and significances of simultaneous design and control are illustrated. Second, a general classification of existing methodologies of optimization‐based simultaneous design and control is outlined. Subsequently, the mathematical formulations and relevant theoretical...
International Nuclear Information System (INIS)
Breger, A.Kh.
1975-01-01
Realization of energy resourses of the atomic power engineering will greatly contribute to the scientific and technological progress. The dominat role play the radiochemical methods of properties modification applied for the well-known materials and for the production of materials with modern operating characteristics necessary for their application in different branches of industry and agriculture. Radiation modeling of products from polyolefine, wood-plastic and concrete-polymer materials are considered as well as the processes in ''thin'' units of agitating systems. The future developments and present state of the art of radiation sources are presented
A Study on Changes in Thickness of STS304 Material in the Progressive Drawing Process
Directory of Open Access Journals (Sweden)
Lee C.K.
2017-06-01
Full Text Available In the drawing process, the roundness of corners in the punch and the die are very important factors in determining the thicknesses of the product. The results clearly revealed that the thickness of a flange was increased and the thickness of body parts reduced when the roundness of the die entrance was small. The material thickness of the top part was decreased when the corner roundness of the punch was large. The smooth inflow of materials was found to have a significant effect on the thickness during the post-process. The compressive strength of STS 304 material exhibited a higher value compared with other processing methods. Moreover, we clearly observed the corner roundness of the punch and the die to be a very important factor for STS 304 materials.
Progress in chemical processing of LEU targets for 99Mo production - 1997
International Nuclear Information System (INIS)
Vandegrift, G.F.; Conner, C.; Sedlet, J.; Wygmans, D.G.; Wu, D.; Iskander, F.; Landsberger, S.
1997-01-01
Presented here are recent experimental results of our continuing development activities associated with converting current processes for producing fission-product 99 Mo from targets using high-enriched uranium (HEU) to low-enriched uranium (LEU). Studies were focused in four areas: (1) measuring the chemical behavior of iodine, rhodium, and silver in the LEU-modified Cintichem process, (2) performing experiments and calculations to assess the suitability of zinc fission barriers for LEU metal foil targets, (3) developing an actinide separations method for measuring alpha contamination of the purified 99 Mo product, and (4) developing a cooperation with Sandia National Laboratories and Los Alamos National Laboratory that will lead to approval by the U.S. Federal Drug Administration for production of 99 Mo from LEU targets. Experimental results continue to show the technical feasibility of converting current HEU processes to LEU. (author)
Progress in the development of the reverse osmosis process for spacecraft wash water recovery.
Pecoraro, J. N.; Podall, H. E.; Spurlock, J. M.
1972-01-01
Research work on ambient- and pasteurization-temperature reverse osmosis processes for wash water recovery in a spacecraft environment is reviewed, and the advantages and drawbacks of each are noted. A key requirement in each case is to provide a membrane of appropriate stability and semipermeability. Reverse osmosis systems intended for such use must also take into account the specific limitations and requirements imposed by the small volume of water to be processed and the high water recovery desired. The incorporation of advanced high-temperature membranes into specially designed modules is discussed.
Using a progress computer for the direct acquisition and processing of radiation protection data
International Nuclear Information System (INIS)
Barz, H.G.; Borchardt, K.D.; Hacke, J.; Kirschfeld, K.E.; Kluppak, B.
1976-01-01
A process computer will be used in the Hahn-Meitner-Institute to rationalize radiation protection measures. Appr. 150 transmitters are to be connected with this computer. Especially the radiation measuring devices of a nuclear reactor, of hot cells, and of a heavy ion accelerator, as well as the emission- and environment monitoring systems will be connected. The advantages of this method are described: central data acquisition, central alarm and stoppage information, data processing of certain measurement values, possibility of quick disturbance analysis. Furthermore the authors report about the preparations already finished, particularly about data transmission of digital and analog values to the computer. (orig./HP) [de
International Nuclear Information System (INIS)
Golcar, G.R.; Bontha, J.R.; Darab, J.G.
1997-01-01
The mission of the Retrieval Process Development and Enhancements (RPD ampersand E) project is to develop an understanding of retrieval processes, including emerging and existing technologies, gather data on these technologies, and relate the data to specific tank problems such that end-users have the requisite technical bases to make retrieval and closure decisions. The development of waste simulants is an integral part of this effort. The work of the RPD ampersand E simulant-development task is described in this document. The key FY95 accomplishments of the RPD ampersand E simulant-development task are summarized below
Cerbino, Roberto; Sun, Yifei; Donev, Aleksandar; Vailati, Alberto
2015-09-30
Diffusion processes are widespread in biological and chemical systems, where they play a fundamental role in the exchange of substances at the cellular level and in determining the rate of chemical reactions. Recently, the classical picture that portrays diffusion as random uncorrelated motion of molecules has been revised, when it was shown that giant non-equilibrium fluctuations develop during diffusion processes. Under microgravity conditions and at steady-state, non-equilibrium fluctuations exhibit scale invariance and their size is only limited by the boundaries of the system. In this work, we investigate the onset of non-equilibrium concentration fluctuations induced by thermophoretic diffusion in microgravity, a regime not accessible to analytical calculations but of great relevance for the understanding of several natural and technological processes. A combination of state of the art simulations and experiments allows us to attain a fully quantitative description of the development of fluctuations during transient diffusion in microgravity. Both experiments and simulations show that during the onset the fluctuations exhibit scale invariance at large wave vectors. In a broader range of wave vectors simulations predict a spinodal-like growth of fluctuations, where the amplitude and length-scale of the dominant mode are determined by the thickness of the diffuse layer.
Stochastic theory of nonequilibrium steady states and its applications. Part I
International Nuclear Information System (INIS)
Zhang Xuejuan; Qian Hong; Qian Min
2012-01-01
The concepts of equilibrium and nonequilibrium steady states are introduced in the present review as mathematical concepts associated with stationary Markov processes. For both discrete stochastic systems with master equations and continuous diffusion processes with Fokker–Planck equations, the nonequilibrium steady state (NESS) is characterized in terms of several key notions which are originated from nonequilibrium physics: time irreversibility, breakdown of detailed balance, free energy dissipation, and positive entropy production rate. After presenting this NESS theory in pedagogically accessible mathematical terms that require only a minimal amount of prerequisites in nonlinear differential equations and the theory of probability, it is applied, in Part I, to two widely studied problems: the stochastic resonance (also known as coherent resonance) and molecular motors (also known as Brownian ratchet). Although both areas have advanced rapidly on their own with a vast amount of literature, the theory of NESS provides them with a unifying mathematical foundation. Part II of this review contains applications of the NESS theory to processes from cellular biochemistry, ranging from enzyme catalyzed reactions, kinetic proofreading, to zeroth-order ultrasensitivity.
International Nuclear Information System (INIS)
Li Qing; Lin Guanghui
2013-01-01
Methane emissions from wetlands play a key role in regulating global atmospheric methane concentration, so better understanding of microbial processes for the methane emission in wetlands is critical for developing process models and reducing uncertainty in global methane emission inventory. In this review, we describe basic microbial processes for wetland methane production and then demonstrate how stable isotope fractionation and stable isotope probing can be used to investigate the mechanisms underlying different methanogenic pathways and to quantify microbial species involved in wetland methane production. When applying stable isotope technique to calculate contributions of different pathways to the total methane production in various wetlands, the technical challenge is how to determine isotopic fractionation factors for the acetate derived methane production and carbon dioxide derived methane production. Although the application of stable isotope probing techniques to study the actual functions of different microbial organisms to methane production process is significantly superior to the traditional molecular biology method, the combination of these two technologies will be crucial for direct linking of the microbial community and functional structure with the corresponding metabolic functions, and provide new ideas for future studies. (authors)
Progress in chemical treatment of LEU targets by the modified Cintichem process
International Nuclear Information System (INIS)
Wu, D.; Landsberger, S.; Vandegrift, G.F.
1996-01-01
Presented here are recent experimental results on tests of a modified Cintichem process for producing 99 Mo from low enriched uranium (LEU). Studies were focused in three areas: (1) testing the effects on 99 Mo recovery and purity of dissolving LEU foil in nitric acid alone, rather than in the sulfuric/nitric acid mixture currently used, (2) measuring decontamination factors for radionuclide impurities in each purification step, and (3) testing the effects on processing of adding barrier materials to the LEU metal-foil target. The experimental results show that switching from dissolving the target in the sulfuric/nitric mixture to using nitric acid alone should cause no significant difference in 99 Mo product yield or purity. Further, the results show that overall decontamination factors for gamma emitters in the LEU-target processing are high enough to meet the purity requirements for the 99 Mo product. The results also show that the selected barrier materials, Cu, Fe, and Ni, do not interfere with 99 Mo recovery and can be removed during chemical processing of the LEU target
Energy Technology Data Exchange (ETDEWEB)
Koniges, A.
1996-02-09
This project is a package of 11 individual CRADA`s plus hardware. This innovative project established a three-year multi-party collaboration that is significantly accelerating the availability of commercial massively parallel processing computing software technology to U.S. government, academic, and industrial end-users. This report contains individual presentations from nine principal investigators along with overall program information.
Acrylamide, a suspected human carcinogen, is a Maillard reaction product that forms when carbohydrate-rich foods are cooked at high temperatures. Processed potato products, including French fries and potato chips, make a substantial contribution to total dietary acrylamide. Health safety concerns ra...
Directory of Open Access Journals (Sweden)
Inga K Teismann
Full Text Available Amyotrophic lateral sclerosis (ALS is a rare disease causing degeneration of the upper and lower motor neuron. Involvement of the bulbar motor neurons often results in fast progressive dysphagia. While cortical compensation of dysphagia has been previously shown in stroke patients, this topic has not been addressed in patients suffering from ALS. In the present study, we investigated cortical activation during deglutition in two groups of ALS patients with either moderate or severe dysphagia. Whole-head MEG was employed on fourteen patients with sporadic ALS using a self-paced swallowing paradigm. Data were analyzed by means of time-frequency analysis and synthetic aperture magnetometry (SAM. Group analysis of individual SAM data was performed using a permutation test. We found a reduction of cortical swallowing related activation in ALS patients compared to healthy controls. Additionally a disease-related shift of hemispheric lateralization was observed. While healthy subjects showed bilateral cortical activation, the right sensorimotor cortex was predominantly involved in ALS patients. Both effects were even stronger in the group of patients with severe dysphagia. Our results suggest that bilateral degeneration of the upper motor neuron in the primary motor areas also impairs further adjusted motor areas, which leads to a strong reduction of 'swallowing related' cortical activation. While both hemispheres are affected by the degeneration a relatively stronger activation is seen in the right hemisphere. This right hemispheric lateralization of volitional swallowing observed in this study may be the only sign of cortical plasticity in dysphagic ALS patients. It may demonstrate compensational mechanisms in the right hemisphere which is known to predominantly coordinate the pharyngeal phase of deglutition. These results add new aspects to our understanding of the pathophysiology of dysphagia in ALS patients and beyond. The compensational
Progress in the application of classical S-matrix theory to inelastic collision processes
International Nuclear Information System (INIS)
McCurdy, C.W.; Miller, W.H.
1980-01-01
Methods are described which effectively solve two of the technical difficulties associated with applying classical S-matrix theory to inelastic/reactive scattering. Specifically, it is shown that rather standard numerical methods can be used to solve the ''root search'' problem (i.e., the nonlinear boundary value problem necessary to impose semiclassical quantum conditions at the beginning and the end of the classical trajectories) and also how complex classical trajectories, which are necessary to describe classically forbidden (i.e., tunneling) processes, can be computed in a numerically stable way. Application is made to vibrational relaxation of H 2 by collision with He (within the helicity conserving approximation). The only remaining problem with regard to applying classical S-matrix theory to complex collision processes has to do with the availability of multidimensional uniform asymptotic formulas for interpolating the ''primitive'' semiclassical expressions between their various regions of validity
Diversion-resistant nuclear-fuels processing. Progress report, 1980-1981
International Nuclear Information System (INIS)
Tomlinson, R.E.; Campbell, M.H.; Hansen, L.E.; Jaech, J.L.; Merker, L.G.; Malody, C.W.; Nilson, R.; Schneider, R.A.
1983-01-01
Design objectives for the projected colocated facilities were formulated. An assessment methodology, was developed. As a baseline, the modified Delphi procedure was used to evaluate the most recent US designs of a fuel reprocessing plant and a fuels refabrication plant against the identified regulations and goals. An upgraded design concept was synthesized, using the baseline fuel reprocessing plant design as a starting point but using a new design concept for fuel conversion and refabrication. The modified Delphi procedure was used to evaluate the upgrading design concepts against identified regulations and goals. The upgraded portions, product conversion, fuel fabrication, and laboratory received ratings of 95% or higher compared with ratings of about 60% for the baseline designs. Alternative reprocessing and refabrication processes were evaluated to determine if any process could offer an inherent safeguards advantage over the combination included in the upgraded design concept. Tentative conclusions reached are: A combination of a modified Purex solvent extraction fuel reprocessing and a Sphere-Pac fuel fabrication flowsheet, coupled with an improved measurement system and a rapid draw-down inventory procedure, can provide the means for meeting most NRC and IAEA Goals. Given industry and DOE support, fuels fabricated by the Sphere-Pac process can probably be licensed by 1990. With a modest demonstration effort, the processes and equipment modifications envisioned can be ready for incorporation in a detailed design by 1985. Practical techniques and equipment are available for the assured control of the movement of plutonium and personnel into and out of the plant and between plant segments. The incremental cost of facilities and procedures needed to provide the above capabilities would probably increase the unit cost of fuel reprocessing and conversion by 5 to 10%
Uranium recovery from wet-process phosphoric acid with octylphenyl acid phosphate. Progress report
International Nuclear Information System (INIS)
Arnold, W.D.; McKamey, D.R.; Baes, C.F.
1980-01-01
Studies were continued of a process for recovering uranium from wet-process phosphoric acid with octylphenyl acid phosphate (OPAP), a mixture of mono- and dioctylphenyl phosphoric acids. The mixture contained at least nine impurities, the principal one being octyl phenol, and also material that readily hydrolyzed to octyl phenol and orthophosphoric acid. The combination of mono- and dioctylphenyl phosphoric acids was the principal uranium extractant, but some of the impurities also extracted uranium. Hydrolysis of the extractant had little effect on uranium extraction, as did the presence of moderate concentrations of octyl phenol and trioctylphenyl phosphate. Diluent choice among refined kerosenes, naphthenic mixtures, and paraffinic hydrocarbons also had little effect on uranium extraction, but extraction was much lower when an aromatic diluent was used. Purified OPAP fractions were sparingly soluble in aliphatic hydrocarbon diluents. The solubility was increased by the presence of impurities such as octyl phenol, and by the addition of water or an acidic solution to the extractant-diluent mixture. In continuous stability tests, extractant loss by distribution to the aqueous phase was much less to wet-process phosphoric acid than to reagent grade acid. Uranium recovery from wet-process acid decreased steadily because of the combined effects of extractant poisoning and precipitation of the extractant as a complex with ferric iron. Unaccountable losses of organic phase volume occurred in the continuous tests. While attempts to recover the lost organic phase were unsuccessful, the test results indicate it was not lost by entrainment or dissolution in the phosphoric acid solutions. 21 figures, 8 tables
2016-03-01
Haiti, was a cultural trait, and as such very hard to address. This counterpoint affects their perception of the relationship between a lasting...challenge requires a long- term process of cultural change, not only in the military, but also more broadly. A general- ized reconstruction of the...Brazil, Bolivia , Chile, Peru, and Uruguay. 20 Data retrieved from the Ministry of Defense by e-mail in January 2014. 21 Barbara Miller, Milad Pournik
Progress in R and D radiation processing of natural polymers in the Philippines
International Nuclear Information System (INIS)
Dela Rosa, A.; Abad, L.; Relleve, L.; Aranilla, C.; Cabalfin, E.; Bisnar, C.
2007-01-01
Radiation technology has emerged as an environment-friendly, commercially viable technology with broad applications that can essentially contribute to achieve the goal of sustainable development. Natural polymers are good raw materials since they are biodegradable, readily available in large quantity and at low cost. Radiation processing of natural polymers is a potential area to widen the prospect of industrial scale application of radiation technology in the Philippines. (author)
Progress Report for Diffusion Welding of the NGNP Process Application Heat Exchangers
Energy Technology Data Exchange (ETDEWEB)
R.E. Mizia; D.E. Clark; M.V. Glazoff; T.E. Lister; T.L. Trowbridge
2011-04-01
The NGNP Project is currently investigating the use of metallic, diffusion welded, compact heat exchangers to transfer heat from the primary (reactor side) heat transport system to the secondary heat transport system. The intermediate heat exchanger will transfer this heat to downstream applications such as hydrogen production, process heat, and electricity generation. The channeled plates that make up the heat transfer surfaces of the intermediate heat exchanger will have to be assembled into an array by diffusion welding.
Directory of Open Access Journals (Sweden)
Dami Moon
2017-12-01
Full Text Available We assessed the environmental, economic, and social impacts of the process for producing cellulose nanofibers (CNFs, which are considered to be a valuable sustainable woody biomass feedstock. The greenhouse gas (GHG emissions associated with CNF production are greater than the emissions associated with producing most plastic materials used in vehicle components because the grinding process during CNF production generates significant GHG emissions. The cost of CNF production is also higher than the cost of producing comparable plastics for automotive use because of the high cost of the pulverization process. The sensitivity analysis in this study suggested that GHG emissions and manufacturing costs could be reduced by 19.1–76.4% and 3.6–12.2%, respectively, by improving the energy efficiency of CNF production by two to five times. We compared the potential social risks associated with CNF production between Japan and Vietnam using a product social impact life cycle assessment database. It is desirable to reduce the social risk on the fair salary and child labor, and to improve the safe and healthy living conditions in the local communities that import wood chips harvested in Vietnam.
Got, J. L.; Amitrano, D.; Carrier, A.; Marsan, D.; Jouanne, F.; Vogfjord, K. S.
2017-12-01
At Grimsvötn volcano, high-quality earthquake and continuous GPS data were recorded by the Icelandic Meteorological Office during its 2004-2011 inter-eruptive period and exhibited remarkable patterns : acceleration of the cumulated earthquake number, and a 2-year exponential decrease in displacement rate followed by a 4-year constant inflation rate. We proposed a model with one magma reservoir in a non-linear elastic damaging edifice, with incompressible magma and a constant pressure at the base of the magma conduit. We first modelled seismicity rate and damage as a function of time, and show that Kachanov's elastic brittle damage law may be used to express the decrease of the effective shear modulus with time. We then derived simple analytical expressions for the magma reservoir overpressure and the surface displacement as a function of time. We got a very good fit of the seismicity and surface displacement data by adjusting only three phenomenological parameters and computed magma reservoir overpressure, magma flow and strain power as a function of time. Overpressure decrease is controlled by damage and shear modulus decrease. Displacement increases, although overpressure is decreasing, because shear modulus decreases more than overpressure. Normalized strain power reaches a maximum 0.25 value. This maximum is a physical limit, after which the elasticity laws are no longer valid, earthquakes cluster, cumulative number of earthquakes departs from the model. State variable extrema provide four reference times that may be used to assess the mechanical state and dynamics of the volcanic edifice. We also performed the spatial modelling of the progressive damage and strain localization around a pressurized magma reservoir. We used Kachanov's damage law and finite element modelling of an initially elastic volcanic edifice pressurized by a spherical magma reservoir, with a constant pressure in the reservoir and various external boundary conditions. At each node of the
Controlling Non-Equilibrium Structure Formation on the Nanoscale.
Buchmann, Benedikt; Hecht, Fabian Manfred; Pernpeintner, Carla; Lohmueller, Theobald; Bausch, Andreas R
2017-12-06
Controlling the structure formation of gold nanoparticle aggregates is a promising approach towards novel applications in many fields, ranging from (bio)sensing to (bio)imaging to medical diagnostics and therapeutics. To steer structure formation, the DNA-DNA interactions of DNA strands that are coated on the surface of the particles have become a valuable tool to achieve precise control over the interparticle potentials. In equilibrium approaches, this technique is commonly used to study particle crystallization and ligand binding. However, regulating the structural growth processes from the nano- to the micro- and mesoscale remains elusive. Here, we show that the non-equilibrium structure formation of gold nanoparticles can be stirred in a binary heterocoagulation process to generate nanoparticle clusters of different sizes. The gold nanoparticles are coated with sticky single stranded DNA and mixed at different stoichiometries and sizes. This not only allows for structural control but also yields access to the optical properties of the nanoparticle suspensions. As a result, we were able to reliably control the kinetic structure formation process to produce cluster sizes between tens of nanometers up to micrometers. Consequently, the intricate optical properties of the gold nanoparticles could be utilized to control the maximum of the nanoparticle suspension extinction spectra between 525 nm and 600 nm. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Calculating zeros: Non-equilibrium free energy calculations
International Nuclear Information System (INIS)
Oostenbrink, Chris; Gunsteren, Wilfred F. van
2006-01-01
Free energy calculations on three model processes with theoretically known free energy changes have been performed using short simulation times. A comparison between equilibrium (thermodynamic integration) and non-equilibrium (fast growth) methods has been made in order to assess the accuracy and precision of these methods. The three processes have been chosen to represent processes often observed in biomolecular free energy calculations. They involve a redistribution of charges, the creation and annihilation of neutral particles and conformational changes. At very short overall simulation times, the thermodynamic integration approach using discrete steps is most accurate. More importantly, reasonable accuracy can be obtained using this method which seems independent of the overall simulation time. In cases where slow conformational changes play a role, fast growth simulations might have an advantage over discrete thermodynamic integration where sufficient sampling needs to be obtained at every λ-point, but only if the initial conformations do properly represent an equilibrium ensemble. From these three test cases practical lessons can be learned that will be applicable to biomolecular free energy calculations
ANL progress on the cooperation with CNEA for the MO-99 production: Base-side digestion process
International Nuclear Information System (INIS)
Gelis, A.V.; Quigley, K.J.; Aase, S.B.; Bakel, A.J.; Leyva, A.; Regalbuto, M.C.; Vandergrift, G.F.
2005-01-01
Conversion from high-enriched uranium (HEU) to low-enriched uranium (LEU) targets for the Mo-99 production requires certain modifications of the target design, the digestion and the purification processes. ANL and the Argentine Comision Nacional de Energia Atomica (CNEA) are collaborating to overcome all the concerns caused by the conversion of the CNEA process to use LEU foil targets. A new digester with stirring system has been successfully applied for the digestion of the low burn-up U foil targets in KMnO 4 alkaline media. In this paper, we report the progress on the development of the digestion procedure utilizing effective stirring and focusing on minimization of the liquid radioactive waste. (author)
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.
Unbiased free energy estimates in fast nonequilibrium transformations using Gaussian mixtures
International Nuclear Information System (INIS)
Procacci, Piero
2015-01-01
In this paper, we present an improved method for obtaining unbiased estimates of the free energy difference between two thermodynamic states using the work distribution measured in nonequilibrium driven experiments connecting these states. The method is based on the assumption that any observed work distribution is given by a mixture of Gaussian distributions, whose normal components are identical in either direction of the nonequilibrium process, with weights regulated by the Crooks theorem. Using the prototypical example for the driven unfolding/folding of deca-alanine, we show that the predicted behavior of the forward and reverse work distributions, assuming a combination of only two Gaussian components with Crooks derived weights, explains surprisingly well the striking asymmetry in the observed distributions at fast pulling speeds. The proposed methodology opens the way for a perfectly parallel implementation of Jarzynski-based free energy calculations in complex systems
What Can Reinforcement Learning Teach Us About Non-Equilibrium Quantum Dynamics
Bukov, Marin; Day, Alexandre; Sels, Dries; Weinberg, Phillip; Polkovnikov, Anatoli; Mehta, Pankaj
Equilibrium thermodynamics and statistical physics are the building blocks of modern science and technology. Yet, our understanding of thermodynamic processes away from equilibrium is largely missing. In this talk, I will reveal the potential of what artificial intelligence can teach us about the complex behaviour of non-equilibrium systems. Specifically, I will discuss the problem of finding optimal drive protocols to prepare a desired target state in quantum mechanical systems by applying ideas from Reinforcement Learning [one can think of Reinforcement Learning as the study of how an agent (e.g. a robot) can learn and perfect a given policy through interactions with an environment.]. The driving protocols learnt by our agent suggest that the non-equilibrium world features possibilities easily defying intuition based on equilibrium physics.
Kunova, O. V.; Shoev, G. V.; Kudryavtsev, A. N.
2017-01-01
Nonequilibrium flows of a two-component oxygen mixture O2/O behind a shock wave are studied with due allowance for the state-to-state vibrational and chemical kinetics. The system of gas-dynamic equations is supplemented with kinetic equations including contributions of VT (TV)-exchange and dissociation processes. A method of the numerical solution of this system with the use of the ANSYS Fluent commercial software package is proposed, which is used in a combination with the authors' code that takes into account nonequilibrium kinetics. The computed results are compared with parameters obtained by solving the problem in the shock-fitting formulation. The vibrational temperature is compared with experimental data. The numerical tool proposed in the present paper is applied to study the flow around a cylinder.
Energy Technology Data Exchange (ETDEWEB)
LeSage, L.G.
1977-07-01
Work has been performed on updating the study of the state-of-the-art of instrumentation for Fossil Demonstration Plants (FDP), development of mass-flow and other on-line instruments for FDP, process control analysis for FDP, and organization of a symposium on instrumentation and control for FDP. A Solids/Gas Flow Test Facility (S/GFTF) under construction for instrument development, testing, evaluation, and calibration is described. The development work for several mass-flow and other on-line instruments is described: acoustic flowmeter, capacitive density flowmeter, neutron activation flowmeter and composition analysis system, gamma ray correlation flowmeter, optical flowmeter, and capacitive liquid interface level meter.
Letter Report: Progress in developing EQ3/6 for modeling boiling processes
Energy Technology Data Exchange (ETDEWEB)
Wolery, T. J., LLNL
1995-08-28
EQ3/6 is a software package for geochemical modeling of aqueous systems, such as water/rock or waste/water rock. It is being developed for a variety of applications in geochemical studies for the Yucca Mountain Site Characterization Project. The present focus is on development of capabilities to be used in studies of geochemical processes which will take place in the near-field environment and the altered zone of the potential repository. We have completed the first year of a planned two-year effort to develop capabilities for modeling boiling processes. These capabilities will interface with other existing and future modeling capabilities to provide a means of integrating the effects of various kinds of geochemical processes in complex systems. This year, the software has been modified to allow the formation of a generalized gas phase in a closed system for which the temperature and pressure are known (but not necessarily constant). The gas phase forms when its formation is thermodynamically favored; that is, when the system pressure is equal to the sum of the partial pressures of the gas species as computed from their equilibrium fugacities. It disappears when this sum falls below that pressure. `Boiling` is the special case in which the gas phase which forms consists mostly of water vapor. The reverse process is then `condensation.` To support calculations of boiling and condensation, we have added a capability to calculate the fugacity coefficients of gas species in the system H{sub 2}O-CO{sub 2}-CH{sub 4}-H{sub 2},-Awe{sub 2}-N{sub 2},-H{sub 2}S-NH3. This capability at present is accurate only at relatively low pressures, but is adequate for all likely repository boiling conditions. We have also modified the software to calculate changes in enthalpy (heat) and volume functions. Next year we will be extending the boiling capability to calculate the pressure or the temperature at known enthalpy. We will also add an option for open system boiling.
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)
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...
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
Electrolytes: transport properties and non-equilibrium thermodynamics
International Nuclear Information System (INIS)
Miller, D.G.
1980-12-01
This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions
Some recent developments in non-equilibrium statistical physics
Indian Academy of Sciences (India)
: ... This canonical prescription is the starting point for studying a system in ... abilistic approach to non-equilibrium dynamics by treating the case of Markovian ..... equation in this network between the incoming flux and the outgoing flux at each.
Non-equilibrium flow and sediment transport distribution over mobile river dunes
Hoitink, T.; Naqshband, S.; McElroy, B. J.
2017-12-01
Flow and sediment transport are key processes in the morphodynamics of river dunes. During floods in several rivers (e.g., the Elkhorn, Missouri, Niobrara, and Rio Grande), dunes are observed to grow rapidly as flow strength increases, undergoing an unstable transition regime, after which they are washed out in what is called upper stage plane bed. This morphological evolution of dunes to upper stage plane bed is the strongest bed-form adjustment during non-equilibrium flows and is associated with a significant change in hydraulic roughness and water levels. Detailed experimental investigations, however, have mostly focused on fixed dunes limited to equilibrium flow and bed conditions that are rare in natural channels. Our understanding of the underlying sedimentary processes that result into the washing out of dunes is therefore very limited. In the present study, using the Acoustic Concentration and Velocity Profiler (ACVP), we were able to quantify flow structure and sediment transport distribution over mobile non-equilibrium dunes. Under these non-equilibrium flow conditions average dune heights were decreasing while dune lengths were increasing. Preliminary results suggest that this morphological behaviour is due to a positive phase lag between sediment transport maximum and topographic maximum leading to a larger erosion on the dune stoss side compared to deposition on dune lee side.
Cheng, Lina; Sun, Da-Wen; Zhu, Zhiwei; Zhang, Zi
2017-03-04
Freezing plays an important role in food preservation and the emergence of rapid freezing technologies can be highly beneficial to the food industry. This paper reviews some novel food freezing technologies, including high-pressure freezing (HPF), ultrasound-assisted freezing (UAF), electrically disturbed freezing (EF) and magnetically disturbed freezing (MF), microwave-assisted freezing (MWF), and osmo-dehydro-freezing (ODF). HPF and UAF can initiate ice nucleation rapidly, leading to uniform distribution of ice crystals and the control of their size and shape. Specifically, the former is focused on increasing the degree of supercooling, whereas the latter aims to decrease it. Direct current electric freezing (DC-EF) and alternating current electric freezing (AC-EF) exhibit different effects on ice nucleation. DC-EF can promote ice nucleation and AC-EF has the opposite effect. Furthermore, ODF has been successfully used for freezing various vegetables and fruit. MWF cannot control the nucleation temperature, but can decrease supercooling degree, thus decreasing the size of ice crystals. The heat and mass transfer processes during ODF have been investigated experimentally and modeled mathematically. More studies should be carried out to understand the effects of these technologies on food freezing process.
Progress in Analysis to Remote Sensed Thermal Abnormity with Fault Activity and Seismogenic Process
Directory of Open Access Journals (Sweden)
WU Lixin
2017-10-01
Full Text Available Research to the remote sensed thermal abnormity with fault activity and seismogenic process is a vital topic of the Earth observation and remote sensing application. It is presented that a systematic review on the international researches on the topic during the past 30 years, in the respects of remote sensing data applications, anomaly analysis methods, and mechanism understanding. Firstly, the outlines of remote sensing data applications are given including infrared brightness temperature, microwave brightness temperature, outgoing longwave radiation, and assimilated data from multiple earth observations. Secondly, three development phases are summarized as qualitative analysis based on visual interpretation, quantitative analysis based on image processing, and multi-parameter spatio-temporal correlation analysis. Thirdly, the theoretical hypotheses presented for the mechanism understanding are introduced including earth degassing, stress-induced heat, crustal rock battery conversion, latent heat release due to radon decay as well as multi-spheres coupling effect. Finally, three key directions of future research on this topic are proposed:anomaly recognizing by remote sensing monitoring and data analysis for typical tectonic activity areas; anomaly mechanism understanding based on earthquake-related earth system responses; spatio-temporal correlation analysis of air-based, space-based and ground-based stereoscopic observations.
Bray, G A; Kim, K K; Wilding, J P H
2017-07-01
This paper considers the argument for obesity as a chronic relapsing disease process. Obesity is viewed from an epidemiological model, with an agent affecting the host and producing disease. Food is the primary agent, particularly foods that are high in energy density such as fat, or in sugar-sweetened beverages. An abundance of food, low physical activity and several other environmental factors interact with the genetic susceptibility of the host to produce positive energy balance. The majority of this excess energy is stored as fat in enlarged, and often more numerous fat cells, but some lipid may infiltrate other organs such as the liver (ectopic fat). The enlarged fat cells and ectopic fat produce and secrete a variety of metabolic, hormonal and inflammatory products that produce damage in organs such as the arteries, heart, liver, muscle and pancreas. The magnitude of the obesity and its adverse effects in individuals may relate to the virulence or toxicity of the environment and its interaction with the host. Thus, obesity fits the epidemiological model of a disease process except that the toxic or pathological agent is food rather than a microbe. Reversing obesity will prevent most of its detrimental effects. © 2017 World Obesity Federation.
Defining progressive stages in the commitment process leading to embryonic lens formation
Jin, Hong; Fisher, Marilyn; Grainger, Robert M.
2013-01-01
Summary The commitment of regions of the embryo to form particular tissues or organs is a central concept in development, but the mechanisms controlling this process remain elusive. The well-studied model of lens induction is ideal for dissecting key phases of the commitment process. We find in Xenopus tropicalis, at the time of specification of the lens, i.e. when presumptive lens ectoderm (PLE) can be isolated, cultured and will differentiate into a lens, that the PLE is not yet irreversibly committed, or determined, to form a lens. When transplanted into the posterior of a host embryo lens development is prevented at this stage, while approximately 3 hr later, using the same assay, determination is complete. Interestingly, we find that specified lens ectoderm, when cultured, acquires the ability to become determined without further tissue interactions. Further, we show that specified PLE has a different gene expression pattern than determined PLE, and that determined PLE can maintain expression of essential regulatory genes (e.g. foxe3, mafB) in an ectopic environment while specified PLE cannot. These observations set the stage for a detailed mechanistic study of the genes and signals controlling tissue commitment. PMID:22566346
Drift of nonequilibrium charge carriers in GaAs-crystals with traps in ultrasonic fields
International Nuclear Information System (INIS)
Zaveryukhina, N.N.; Zaveryukhin, B.N.; Zaveryukhina, E.B.
2007-01-01
Full text: The drift of nonequilibrium charge carriers in a semiconductor is one of the basic processes determining the efficiency of semiconductor photodetectors. Gallium arsenide possesses certain advantages to other semiconductors in this respect, which allow GaAs-photodetectors to be obtained which possess the maximum efficiency in comparison with all other systems. The purpose of this study was to deepen and expand our knowledge about the acoustic-drift processes in GaAs- crystals. As is known, the drift of nonequilibrium charge carriers in a semiconductor is determined either by external electric fields and/or by internal (built-in) electrostatic fields related to an impurity concentration gradient in the semiconductor. Gallium arsenide is a piezoelectric semiconductor with a structure possessing no center of symmetry. An electric field applied to such a crystal produces deformation of the crystal, and vice versa, any deformation of the crystal leads to the appearance of an induced electric field. Therefore, investigation of the effect of deformation on the drift of nonequilibrium charge carriers is a very important task. One of the possible straining factors is ultrasonic wave. Interaction of the charge carriers with ultrasonic waves in piezo-semiconductors is mediated by piezo exertion. Straining a semiconductor by an ultrasonic wave field gives rise to a force acting upon the charge carriers, which is proportional to the wave vector and the piezoelectric constant of the crystal. The physics of interaction between an ultrasonic wave and nonequilibrium charge carriers in GaAs, as well as in non-polar semiconductors (Si, Ge), consists in the energy and momentum exchange between the wave and the carriers. Besides the ultrasonic waves interact with the traps of carriers and devastate them. These both acoustic effects lead to rise of amplitude of signal of GaAs-photodetectors. (authors)
Density-functional method for nonequilibrium electron transport
DEFF Research Database (Denmark)
Brandbyge, Mads; Mozos, J.L.; Ordejon, P.
2002-01-01
the contact and the electrodes on the same footing. The effect of the finite bias (including self-consistency and the solution of the electrostatic problem) is taken into account using nonequilibrium Green's functions. We relate the nonequilibrium Green's function expressions to the more transparent scheme...... wires connected to aluminum electrodes with extended or finite cross section, (ii) single atom gold wires, and finally (iii) large carbon nanotube systems with point defects....
Non-equilibrium dynamics from RPMD and CMD.
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.
ANL progress in developing a target and process for converting CNEA Mo-99 production to LEU
International Nuclear Information System (INIS)
Vandegrift, G.F.; Gelis, A.; Aase, S.; Bakel, A.; Freiberg, E.; Conner, C.
2002-01-01
The primary mission of the Reduced Enrichment in Research and Test Reactors (RERTR) Program is to facilitate the conversion of research and test reactor fuel and targets from high-enriched uranium (HEU) to low-enriched uranium (LEU). One of the current goals at Argonne National Laboratory (ANL) is to convert 99 Mo production at Argentine Commission Nacional de Energia Atomica (CNEA) from HEU to LEU targets. Specifically addressed in this paper is ANL R and D related to this conversion: (1) designing a prototype production vessel for digesting irradiated LEU foils in alkaline solutions, (2) developing means to improve digestion efficiency, and (3) modifying ion-exchange processes used in the CNEA recovery and purification of 99 Mo to deal with the lower volumes generated from LEU-foil digestion. (author)
Studies of nuclear processes. Progress report, June 1, 1974--May 31, 1975
International Nuclear Information System (INIS)
Clegg, T.B.; Ludwig, E.J.; Merzbacher, E.; Shafroth, S.M.; Thompson, W.J.
1975-01-01
The studies of nuclear processes conducted by the Chapel Hill group affiliated with the Triangle Universities Nuclear Laboratory (TUNL) have continued to emphasize the following topics: I. Proton Beam Experiments; II. Polarized Deuteron Beam Experiments; III. Development of Ion Sources, Experimental Equipment, and Techniques; IV. Nuclear Theory and Nuclear Reaction Analyses; V. Atomic Effects in Nuclear Bombardment. The Cyclo-Graaff at TUNL and the 4-MeV Van de Graaff accelerator were the primary sources of particle beams. Computations were carried out on the computers at TUNL and at the Triangle Universities Computation Center (TUCC). Many charged particle and neutron experiments were undertaken jointly with groups from Duke University and North Carolina State University. The research program has aimed at a better understanding of the spin dependence of nuclear interactions revealed in experiments with polarized beams. Collisions between charged particles and complex atoms, leading to inner shell ionization, were studied in high resolution over a broad energy range. (U.S.)
Software: our quest for excellence. Honoring 50 years of software history, progress, and process
Energy Technology Data Exchange (ETDEWEB)
NONE
1997-06-01
The Software Quality Forum was established by the Software Quality Assurance (SQA) Subcommittee, which serves as a technical advisory group on software engineering and quality initiatives and issues for DOE`s quality managers. The forum serves as an opportunity for all those involved in implementing SQA programs to meet and share ideas and concerns. Participation from managers, quality engineers, and software professionals provides an ideal environment for identifying and discussing issues and concerns. The interaction provided by the forum contributes to the realization of a shared goal--high quality software product. Topics include: testing, software measurement, software surety, software reliability, SQA practices, assessments, software process improvement, certification and licensing of software professionals, CASE tools, software project management, inspections, and management`s role in ensuring SQA. The bulk of this document consists of vugraphs. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.
Recent progress in low-temperature-process monolithic three dimension technology
Yang, Chih-Chao; Hsieh, Tung-Ying; Huang, Wen-Hsien; Shen, Chang-Hong; Shieh, Jia-Min; Yeh, Wen-Kuan; Wu, Meng-Chyi
2018-04-01
Monolithic three-dimension (3D) integration is an ultimate alternative method of fabricating high density, high performance, and multi-functional integrated circuits. It offers the promise of being a new approach to increase system performance. How to manage the thermal impact of multi-tiered processes, such as dopant activation, source/drain silicidation, and channel formation, and to prevent the degradation of pre-existing devices/circuits become key challenges. In this paper, we provide updates on several important monolithic 3D works, particularly in sequentially stackable channels, and our recent achievements in monolithic 3D integrated circuit (3D-IC). These results indicate that the advanced 3D architecture with novel design tools enables ultrahigh-density stackable circuits to have superior performance and low power consumption for future artificial intelligence (AI) and internet of things (IoTs) application.
International Nuclear Information System (INIS)
Northcutt, W.G. Jr.
1994-01-01
As part of the effort to downsize its uranium processing facilities, the Y-12 Plant has supported an investigation to identify extraction solvents that would both work efficiently in centrifugal contactors and be disposed of easily. Various organic ethers, hydroxy ethers, ether ketones, acids, amides, and diketones were studied for their ability to extract uranyl nitrate from aqueous solutions. Although many of these solvents were obtained commercially, others had to be synthesized in-house. The authors found a large range of extraction coefficients for these solvents. Because of steric hindrance or some other factor, certain ethers performed poorly. On the other hand, various mono- and diethers of tetrahydrofurfuryl alcohol exhibited excellent extraction and stripping coefficients for uranyl nitrate, justifying purchase of a pilot plant batch of one of this family of solvents. Likewise, the authors determined the extraction coefficient for one of the two amides synthesized in-house to be quite high
International Nuclear Information System (INIS)
1980-10-01
This report summarizes the results of concept design studies implemented at General Atomic Company (GA) during the first half of FY-80. The studies relate to a plant design for an 842-MW(t) High-Temperature Gas-Cooled Reactor utilizing an intermediate helium heat transfer loop to provide high temperature thermal energy for the production of hydrogen or synthesis gas (H 2 + CO) by steam-reforming a light hydrocarbon. Basic carbon sources may be coal, residual oil, or oil shale. Work tasks conducted during this period included the 842-MW(t) plant concept design and cost estimate for an 850 0 C reactor outlet temperature. An assessment of the main-loop cooling shutdown system is reported. Major component cost models were prepared and programmed into the Process Heat Reactor Evaluation and Design (PHRED) code
Solvent refined coal (SRC) process. Annual technical progress report, January 1979-December 1979
Energy Technology Data Exchange (ETDEWEB)
1980-11-01
This report discusses the effects on SRC yields of seven process variables (reactor temperature, SRT, hydrogen partial pressure, recycle ash and coal concentrations, gas velocity and coal type) predicted by second-order regression models developed from a data base containing pilot plant data with both Kentucky and Powhatan coals. The only effect of coal type in the model is a shift in each yield by a constant factor. Although some differences were found between the models developed from the Kentucky data base (1) (which we call Kentucky models) and the pooled coal models, the general conclusions of the previous report are confirmed by the new models and the assumption of similar behavior of the two coals appears to be justified. In some respects the dependence of the yields (MAF coal basis) on variables such as pressure and temperature are clearer than in the previous models. The principal trends which emerge are discussed.
Recent progress in ATLAS top pair cross-sections: from precision measurements to rare processes
CERN. Geneva
2014-01-01
High-precision top quark pair production cross-section measurements in proton-proton collisions at centre-of-mass energies of 7 and 8 TeV reach a precision of better than 4%, similar to that of recently achieved state-of-art NNLO+NNLL QCD calculations. These benchmark results can be used to extract physical parameters such as the top quark mass or constraints on new physics processes from the comparison between measurement and prediction. Inclusive, differential and fiducial cross section measurements for top pair production are also precision probes of QCD allowing to test latest Monte-Carlo generators. The large Run-1 data sample delivered by the LHC also allows the experiments to explore the production of top pair production in association with bosons.The seminar presents recent ATLAS results on cross-section measurements involving top quark pairs.
ANL progress in developing an LEU target and process for Mo-99 production: Cooperation with CNEA
International Nuclear Information System (INIS)
Gelis, A.V.; Vandegrift, G.F.; Aase, S.B.; Bakel, A.J.; Falkenberg, J.R.; Regalbuto, M.C.; Quigley, K.J.
2003-01-01
The primary mission of the Reduced Enrichment in Research and Test Reactors (RERTR) Program is to facilitate the conversion of research and test-reactor fuel and targets from high-enriched uranium (HEU) to low-enriched uranium (LEU). One of the current goals at Argonne National Laboratory (ANL) is to assist the Argentine Comision Nacional de Energia Atomica (CNEA) in developing an LEU foil target and a process for 99 Mo production. Specifically addressed in this paper is ANL R and D related to this conversion: (1) designing a prototype production vessel for digesting irradiated LEU foils in alkaline solutions and (2) developing a new digestion method to address all issues related to HEU to LEU conversion. (author)
Key Biodiversity Areas in the Indo-Burma Hotspot: Process, Progress and Future Directions
Directory of Open Access Journals (Sweden)
A.W. Tordoff
2012-08-01
Full Text Available Key Biodiversity Areas (KBAs provide geographic targets for the expansion of protected area coverage, and identify sites for urgent conservation action. Identification of KBAs in the Indo-Burma Hotspot was undertaken during 2003, for a region of analysis comprising Cambodia, Lao PDR, Myanmar (Burma, Thailand and Vietnam, plus parts of southern China. The starting point was information on 282 Important Bird Areas identified by BirdLife International and collaborators. These data were then overlaid with point locality data on globally threatened mammals, reptiles, amphibians, freshwater fish and plants, with additional KBAs identified as required. Through this process, a total of 438 KBAs were identified, covering 258,085km2 or 11.5 percent of the region of analysis. Only 58 percent of the KBAs are wholly or partly included within protected areas, suggesting that there may be a need for further expansion of protected area networks, particularly in Myanmar and Vietnam. The criteria for KBA identification are triggered by 812 species, of which 23 are believed only to occur at a single KBA globally. The KBAs have proven to be a useful conservation priority setting tool in Indo-Burma, helping to guide investments by various donors and application of environmental safeguard policies by international financial institutions. There are fewer examples of KBAs being used to guide expansion of protected area systems in Indo-Burma. In large part, this is because the period of rapid expansion of protected areas in most hotspot countries predated the KBA identification process, and political support for further significant expansion is currently limited.
Nonequilibrium emergent phenomena in organic molecular solids
Energy Technology Data Exchange (ETDEWEB)
Mitrano, Matteo
2015-07-15
The manipulation of matter with ultrashort laser pulses is a relevant research field from both a fundamental and an applied perspective, owing to the efficient coupling to the electronic degrees of freedom on femtosecond timescales and the ability to induce transient phases that cannot be realized in equilibrium scenarios. Strongly correlated materials are a natural environment for the observation of such novel and emergent out-of-equilibrium physics because small modifications to the electron-electron interactions can induce transitions between remarkably different macroscopic phases. One of the most effective means of modifying the effective electron-electron interactions is to perturb the crystal structure through pressure, strain or even light. However, it remains largely unexplored how perturbing the structural degrees of freedom affects the electron dynamics of the transiently driven states and how the interplay of correlations and electron-lattice interactions determine the intrinsic timescales of these nonequilibrium states. This thesis investigates how to control the light-induced nonequilibrium electronic properties in strongly correlated organics, that are highly tunable with moderate variations of external parameters, by perturbing their structural degrees of freedom, either via static pressures or vibrational excitation. We study the role of correlations in determining the relaxation rate of holes (holons) and double occupancies (doublons) in a solid state Mott insulator, the ET-F{sub 2}TCNQ, driven across a transient insulator-to-metal transition. By mapping holon-doublon lifetimes onto the ground-state electronic interactions, we found that the decay rate of the photoinjected quasiparticles depends on the degree of correlation between carriers and is affected by the presence of a competition between local recombination and delocalization of holon-doublon pairs. By optically controlling the effective correlations in organic molecular crystals through
Nagarajan, Ramanathan
2015-07-01
Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to
Recent Progress on the Second Generation CMORPH: A Prototype Operational Processing System
Xie, Pingping; Joyce, Robert; Wu, Shaorong
2016-04-01
As reported at the EGU General Assembly of 2015, a conceptual test system was developed for the second generation CMORPH to produce global analyses of 30-min precipitation on a 0.05deg lat/lon grid over the entire globe from pole to pole through integration of information from satellite observations as well as numerical model simulations. The second generation CMORPH is built upon the Kalman Filter based CMORPH algorithm of Joyce and Xie (2011). Inputs to the system include both rainfall and snowfall rate retrievals from passive microwave (PMW) measurements aboard all available low earth orbit (LEO) satellites, precipitation estimates derived from infrared (IR) observations of geostationary (GEO) as well as LEO platforms, and precipitation simulations from numerical global models. Sub-systems were developed and refined to derive precipitation estimates from the GEO and LEO IR observations and to compute precipitating cloud motion vectors. The results were reported at the EGU of 2014 and the AGU 2015 Fall Meetings. In this presentation, we report our recent work on the construction of a prototype operational processing system for the second generation CMORPH. The second generation CMORPH prototype operational processing system takes in the passive microwave (PMW) retrievals of instantaneous precipitation rates from all available sensors, the full-resolution GEO and LEO IR data, as well as the hourly precipitation fields generated by the NOAA/NCEP Climate Forecast System (CFS) Reanalysis (CFS). First, a combined field of PMW based precipitation retrievals (MWCOMB) is created on a 0.05deg lat/lon grid over the entire globe through inter-calibrating retrievals from various sensors against a common reference. For this experiment, the reference field is the GMI based retrievals with climatological adjustment against the TMI retrievals using data over the overlapping period. Precipitation estimation is then derived from the GEO and LEO IR data through calibration against
A calculational scheme for nonequilibrium quantum field system
International Nuclear Information System (INIS)
Yamanaka, Y.
1991-01-01
A new calculational scheme is presented for interacting nonequi-librium time dependent quantum field systems within the framework of thermo field dynamics (TFD), taking account of the fact that the thermal vacuum should go through many inequivalent state vector spaces. A para-meter parametrizing various state vector spaces has to be introduced and plays a role of new time-variable. Thus we have double-time TFD. The 2 requirements in this double-time TFD are imposed to establish a quasi-particle picture to get an attainable scheme of perturbative calculation : the existence of the spectral representation for the full propagator and the diagonalization of the quasi-particle Hamiltonian. The 1st condition turns out to amount to the existence of local-time tempera-ture. The 2nd condition leads to the master equation for the number density. This formalism is applied to high-energy heavy ion collision process. The very fundamental question is then how the thermodynamical properties such as heat and temperature appear in such an isolated system. This double-time TFD, suitable for isolated thermal systems of quantum fields, can handle the situation from the beginning of the process. (author). 24 refs.; 1 fig
Non-equilibrium statistical thermodynamics of neutron gas in reactor
International Nuclear Information System (INIS)
Hayasaka, Hideo
1977-01-01
The thermodynamic structures of non-equilibrium steady states of highly rarefied neutron gas in various media are considered for the irreversible processes owing to creative and destructive reactions of neutrons with nuclei of these media and supply from the external sources. Under the so-called clean and cold condition in reactor, the medium is regarded virtually as offering the different chemical potential fields for each subsystem of a steady neutron gas system. The fluctuations around a steady state are considered in a Markovian-Gaussian process. The generalized Einstein relations are derived for stationary neutron gas systems. The forces and flows of neutron gases in a medium are defined upon the general stationary solution of the Fokker-Planck equation. There exist the symmetry of the kinetic coefficients, and the minimum entropy production upon neutron-nuclear reactions. The distribution functions in various media are determined by each corresponding extremum condition under the vanishing of changes of the respective total entropies in the Gibbs equation. (auth.)
Directory of Open Access Journals (Sweden)
Che Hui-Lian
2009-11-01
Full Text Available Abstract Background Most people being treated for alcoholism are unable to successfully quit drinking within their treatment programs. In few cases do we know the full picture of how abstinence is achieved in Taiwan. We tracked processes of abstinence in alcohol-dependency disorders, based on study evidence and results. This research explores the process of recovery from the viewpoint of the alcohol-dependent. Methods Semi-structured interviews were conducted in two different settings, using purpose sampling, during 2003-2004. The data were analyzed using content analysis. Participants were 32 adults, purposefully selected from an Alcoholics Anonymous group and a psychiatric hospital in North Taiwan. Results We found that the abstinence process is an ongoing process, in which the alcohol-dependent free themselves of addiction progressively. This process never ends or resolves in complete recovery. We have identified three stages in the struggle against alcoholism: the Indulgence, Ambivalence and Attempt (IAA cycle, in which the sufferer is trapped in a cycle of attempting to give up and failing; the Turning Point, in which a Personal Nadir is reached, and the Ongoing Process of abstinence, in which a constant effort is made to remain sober through willpower and with the help of support groups. We also discuss Influencing Factors that can derail abstinence attempts, pushing the sufferer back into the IAA cycle. Conclusion This study provides important points of reference for alcohol and drug service workers and community healthcare professionals in Taiwan, casting light on the abstinence process and providing a basis for intervention or rehabilitation services.
Cavitational hydrothermal oxidation: A new remediation process. 1998 annual progress report
Energy Technology Data Exchange (ETDEWEB)
Suslick, K.S.
1998-06-01
'The primary goal is to develop a quantitative understanding of cavitation phenomena in aqueous media and the development of applications of cavitation to remediation processes. Efforts have focused on three separate areas: sonoluminescence as a probe of conditions created during cavitational collapse in aqueous media, the use of cavitation for remediation of contaminated water, and an addition of the use of ultrasound in the synthesis of novel heterogeneous catalysts for hydrodehalogenation of halocarbons under mild conditions. This report summarizes work after one year of a three year project. In order to gain further understanding of the conditions present during cavitation, the author has continued his studies of sonoluminescence. He has made recent breakthroughs in the use of emission spectroscopy for temperature and pressure measurement of cavitation events, which he expects to publish shortly. He has been able to measure for the first time the temperature of cavitation in water during multi-bubble cavitation in the presence of aromatic hydrocarbons. The emission from excited states of C{sub 2} in water gives temperatures that are consistent with adiabatic compressional heating, with maximum temperatures of 4,300 K. Prior measurements of cavitation temperatures in low vapor pressure nonaqueous media gave somewhat higher temperatures of 5,000 K. This work lays permanently to rest exotic mechanisms for cavitational chemistry, at least for cavitation fields.'
Cavitational hydrothermal oxidation: A new remediation process. 1998 annual progress report
International Nuclear Information System (INIS)
Suslick, K.S.
1998-01-01
'The primary goal is to develop a quantitative understanding of cavitation phenomena in aqueous media and the development of applications of cavitation to remediation processes. Efforts have focused on three separate areas: sonoluminescence as a probe of conditions created during cavitational collapse in aqueous media, the use of cavitation for remediation of contaminated water, and an addition of the use of ultrasound in the synthesis of novel heterogeneous catalysts for hydrodehalogenation of halocarbons under mild conditions. This report summarizes work after one year of a three year project. In order to gain further understanding of the conditions present during cavitation, the author has continued his studies of sonoluminescence. He has made recent breakthroughs in the use of emission spectroscopy for temperature and pressure measurement of cavitation events, which he expects to publish shortly. He has been able to measure for the first time the temperature of cavitation in water during multi-bubble cavitation in the presence of aromatic hydrocarbons. The emission from excited states of C 2 in water gives temperatures that are consistent with adiabatic compressional heating, with maximum temperatures of 4,300 K. Prior measurements of cavitation temperatures in low vapor pressure nonaqueous media gave somewhat higher temperatures of 5,000 K. This work lays permanently to rest exotic mechanisms for cavitational chemistry, at least for cavitation fields.'
Adib, Artur B.
In the last two decades or so, a collection of results in nonequilibrium statistical mechanics that departs from the traditional near-equilibrium framework introduced by Lars Onsager in 1931 has been derived, yielding new fundamental insights into far-from-equilibrium processes in general. Apart from offering a more quantitative statement of the second law of thermodynamics, some of these results---typified by the so-called "Jarzynski equality"---have also offered novel means of estimating equilibrium quantities from nonequilibrium processes, such as free energy differences from single-molecule "pulling" experiments. This thesis contributes to such efforts by offering three novel results in nonequilibrium statistical mechanics: (a) The entropic analog of the Jarzynski equality; (b) A methodology for estimating free energies from "clamp-and-release" nonequilibrium processes; and (c) A directly measurable symmetry relation in chemical kinetics similar to (but more general than) chemical detailed balance. These results share in common the feature of remaining valid outside Onsager's near-equilibrium regime, and bear direct applicability in protein folding kinetics as well as in single-molecule free energy estimation.
International Nuclear Information System (INIS)
Chen, C.W.; Mukherjee, K.
1993-01-01
The current progress in pulsed laser ablation of high-temperature superconductors is reviewed with emphasis on the effect of pulse-width and wavelength, nature of the plasma plume, post-annealing and methods to improve quality of films grown at low temperature. An ion beam assisted millisecond pulsed laser vapor deposition process has been developed to fabricate YBa 2 Cu 3 O x high T. superconductor thin films. Solution to target overheating problem, effects of oxygen ion beam, properties of deposited films, and effect of silver buffer layer on YSZ substrate are presented. A new laser calcining process has been used to produce near single phase high T c superconductors of Bi-Pb-Sr-Ca-Cu-0 system. The total processing time was reduced to about 100 hours which is about half of that for conventional sintering. For this compound both resistance and magnetic susceptibility data showed an onset of superconducting transition at about 110K. A sharp susceptibility drop was observed above 106K. The zero resistance temperature was about 98K. High T c phase was formed via a different kinetic path in laser calcined sample compare with the conventionally processed sample
Synthesis of silane and silicon in a non-equilibrium plasma jet
Calcote, H. F.; Felder, W.
1977-01-01
The feasibility of using a non-equilibrium hydrogen plasma jet as a chemical synthesis tool was investigated. Four possible processes were identified for further study: (1) production of polycrystalline silicon photovoltaic surfaces, (2) production of SiHCl3 from SiCl4, (3) production of SiH4 from SiHCl3, and (4) purification of SiCl4 by metal impurity nucleation. The most striking result was the recognition that the strongly adhering silicon films, amorphous or polycrystalline, produced in our studies could be the basis for preparing a photovoltaic surface directly; this process has potential advantages over other vapor deposition processes.
Radiation accompanied by self absorption in nonequilibrium argon plasma flow in a circular tube
International Nuclear Information System (INIS)
Shirai, Hiroyuki; Tabei, Katsuine; Koaizawa, Hisashi.
1983-01-01
In high temperature, nonequilibrium plasma flow, generally strong radiation arises, but the radiation phenomena are complicated by the thermo-chemical nonequilibrium of gas and the self absorption in light path, accordingly it is important to correctly understand and estimate their effects. In this research, for the radiation from the argon afterglow plasma flow with large nonequilibrium property in a circular tube, the experimental and theoretical studies were carried out taking the self absorption in consideration. Experimentally, the absolute intensity distribution of the radiated spectrum lines was measured from outside of the tube, and converted to the true radial distribution of atom number density at excited level using the mathematical conversion theory for the radiation accompanied by absorption of Elder et al. Theoretically, the radial distributions of electron temperature, electron density and atom temperature measured in the tube were applied to the collision-radiation process model including self absorption, and the distribution of the atom number density at excited level was calculated. Fairly good agreement was obtained between both results, and it was found that the consideration of self absorption was important. The theory, the experiment, the numerical examination of a number of physical quantities and the simplification of the theory, and the results are reported. (Kako, I.)
Stochastic theory of nonequilibrium steady states. Part II: Applications in chemical biophysics
International Nuclear Information System (INIS)
Ge Hao; Qian Min; Qian Hong
2012-01-01
The mathematical theory of nonequilibrium steady state (NESS) has a natural application in open biochemical systems which have sustained source(s) and sink(s) in terms of a difference in their chemical potentials. After a brief introduction in Section , in Part II of this review, we present the widely studied biochemical enzyme kinetics, the workhorse of biochemical dynamic modeling, in terms of the theory of NESS (Section ). We then show that several phenomena in enzyme kinetics, including a newly discovered activation–inhibition switching (Section ) and the well-known non-Michaelis–Menten-cooperativity (Section ) and kinetic proofreading (Section ), are all consequences of the NESS of driven biochemical systems with associated cycle fluxes. Section is focused on nonlinear and nonequilibrium systems of biochemical reactions. We use the phosphorylation–dephosphorylation cycle (PdPC), one of the most important biochemical signaling networks, as an example (Section ). It starts with a brief introduction of the Delbrück–Gillespie process approach to mesoscopic biochemical kinetics (Sections ). We shall discuss the zeroth-order ultrasensitivity of PdPC in terms of a new concept — the temporal cooperativity (Sections ), as well as PdPC with feedback which leads to biochemical nonlinear bistability (Section ). Also, both are nonequilibrium phenomena. PdPC with a nonlinear feedback is kinetically isomorphic to a self-regulating gene expression network, hence the theory of NESS discussed here could have wide applications to many other biochemical systems.
International Nuclear Information System (INIS)
Chee, Yi Shen; Ting, Tiew Wei; Hung, Yew Mun
2015-01-01
The effect of thermal asymmetrical boundaries on entropy generation of viscous dissipative flow of forced convection in thermal non-equilibrium porous media is analytically studied. The two-dimensional temperature, Nusselt number and entropy generation contours are analysed comprehensively to provide insights into the underlying physical significance of the effect on entropy generation. By incorporating the effects of viscous dissipation and thermal non-equilibrium, the first-law and second-law characteristics of porous-medium flow are investigated via various pertinent parameters, i.e. heat flux ratio, effective thermal conductivity ratio, Darcy number, Biot number and averaged fluid velocity. For the case of symmetrical wall heat flux, an optimum condition with a high Nusselt number and a low entropy generation is identified at a Darcy number of 10 −4 , providing an ideal operating condition from the second-law aspect. This type of heat and fluid transport in porous media covers a wide range of engineering applications, involving porous insulation, packed-bed catalytic process in nuclear reactors, filtration transpiration cooling, and modelling of transport phenomena of microchannel heat sinks. - Highlights: • Effects of thermal asymmetries on convection in porous-medium are studied. • Exergetic effectiveness of porous media with thermal asymmetries is investigated. • 2-D temperature, Nusselt number and entropy generation contours are analyzed. • Significance of viscous dissipation in entropy generation is scrutinized. • Significance of thermal non-equilibrium in entropy generation is studied
Nonequilibrium behavior of fission gas bubbles with emphasis on the effects of the equation of state
International Nuclear Information System (INIS)
Steele, W.G.
1976-12-01
The paper presents a computer code designed to estimate fission gas behavior during transient fuel conditions, allowing for nonequilibrium bubble states, with emphasis on equation of state sensitivity. The computer code is a modification of the original code by R. G. Esteves, A. R. Wazzan, and D. Okrent, which in its present form includes the following: resolution, coalescence, leakage to the grain boundary, bubble volume adjustment from a nonequilibrium state by vacancy diffusion, a choice of equation of state between the Van der Waals and the perfect gas equation, the incorporation of hydrostatic pressure values, if known, and conservation of gas atoms. Also, there is a version of the code that allows the existence of single gas atoms in solution in the lattice. The original code is discussed to provide a model of the physical processes and to show a general numerical approach to the estimation of the fission gas behavior. The incorporation of various new features into the original work, such as the option of the Van der Waals gas equation, is described. The various physical models are examined for sensitivity to equation of state for both the equilibrium and nonequilibrium bubble descriptions. Selected computer results of a transient simulation are also presented and general conclusions are drawn upon these results
International Nuclear Information System (INIS)
Conner, C.
1998-01-01
During 1998, the emphasis of our activities was focused mainly on target fabrication. Successful conversion requires a reliable irradiation target; the target being developed uses thin foils of uranium metal, which can be removed from the target hardware for dissolution and processing. This paper describes successes in (1) improving our method for heat-treating the uranium foil to produce a random-small grain structure, (2) improving electrodeposition of zinc and nickel fission-fragment barriers onto the foil, and (3) showing that these fission fragment barriers should be stable during transport of the targets following irradiation. A method was also developed for quantitatively electrodepositing uranium and plutonium contaminants in the 99 Mo. Progress was also made in broadening international cooperation in our development activities
Broken detailed balance and non-equilibrium dynamics in living systems: a review
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.
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.
Energy Technology Data Exchange (ETDEWEB)
Crawford, Ronald L; Paszczynski, Andrzej J
2010-02-19
Our goal within the overall project is to demonstrate the presence and abundance of methane monooxygenases (MMOs) enzymes and their genes within the microbial community of the Idaho National Laboratory (INL) Test Area North (TAN) site. MMOs are thought to be the primary catalysts of natural attenuation of trichloroethylene (TCE) in contaminated groundwater at this location. The actual presence of the proteins making up MMO complexes would provide direct evidence for its participation in TCE degradation. The quantitative estimation of MMO genes and their translation products (sMMO and pMMO proteins) and the knowledge about kinetics and substrate specificity of MMOs will be used to develop mathematical models of the natural attenuation process in the TAN aquifer. The model will be particularly useful in prediction of TCE degradation rate in TAN and possibly in the other DOE sites. Bacteria known as methanotrophs produce a set of proteins that assemble to form methane monooxygenase complexes (MMOs), enzymes that oxidize methane as their natural substrate, thereby providing a carbon and energy source for the organisms. MMOs are also capable of co-metabolically transforming chlorinated solvents like TCE into nontoxic end products such as carbon dioxide and chloride. There are two known forms of methane monooxygenase, a membrane-bound particulate form (pMMO) and a cytoplasmic soluble form (sMMO). pMMO consists of two components, pMMOH (a hydroxylase comprised of 47-, 27-, and 24-kDa subunits) and pMMOR (a reductase comprised of 63 and 8-kDa subunits). sMMO consists of three components: a hydroxylase (protein A-250 kDa), a dimer of three subunits (α2β2γ2), a regulatory protein (protein B-15.8 kDa), and a reductase (protein C-38.6 kDa). All methanotrophs will produce a methanol dehydrogenase to channel the product of methane oxidation (methanol) into the central metabolite formaldehyde. University of Idaho (UI) efforts focused on proteomic analyses using mass
Phase transitions, scaling and renormalisation in nonequilibrium systems
International Nuclear Information System (INIS)
Hanney, T.E.
2002-01-01
Nonequilibrium phase transitions and critical phenomena in simple lattice-based interacting particle models are considered. Specific models of interest are exclusion models in low dimensions, with particular reference to the asymmetric simple exclusion process (ASEP) which provides a testbed for many of the calculations. The aim of the thesis is to devise approximate scaling techniques for such models which account for fluctuations and which are more widely applicable than methods pursuing an exact solution. Scaling techniques which have been applied to models described by a linear equation of motion are extended to the case where the equation of motion is nonlinear. These methods capture the dynamic transition in the ASEP but fail to properly account for the nonlinearity in their predictions for the dynamic exponent, z. A new and widely applicable real space renormalisation group procedure is developed. It provides a direct and transparent scaling method to extract universal and non-universal properties of the steady state and dynamic critical behaviour in the boundary-driven ASEP in one dimension. In particular, we obtain a flow diagram for the problem from which we can interpret all the qualitative features of the (exactly known) steady state phase diagram and which predicts the exact value for the critical point. Further, the dynamic scaling is consistent with a crossover between diflusive behaviour near the zero current fixed point and z = 3/2 dynamics at the critical fixed point. Extensions to include disorder, to higher dimensions, and to other models are all possible using the method. Using the mapping between the Master equation and the Schroedinger equation in imaginary time, this scaling procedure is rephrased as a new blocking for quantum-spin systems. Existing methods of real space renormalisation for quantum-spin systems are applied to a variety of previously unconsidered exclusion models. In particular, it is shown how such techniques can be applied
Sheng, Jiazhen; Han, Ki-Lim; Hong, TaeHyun; Choi, Wan-Ho; Park, Jin-Seong
2018-01-01
The current article is a review of recent progress and major trends in the field of flexible oxide thin film transistors (TFTs), fabricating with atomic layer deposition (ALD) processes. The ALD process offers accurate controlling of film thickness and composition as well as ability of achieving excellent uniformity over large areas at relatively low temperatures. First, an introduction is provided on what is the definition of ALD, the difference among other vacuum deposition techniques, and the brief key factors of ALD on flexible devices. Second, considering functional layers in flexible oxide TFT, the ALD process on polymer substrates may improve device performances such as mobility and stability, adopting as buffer layers over the polymer substrate, gate insulators, and active layers. Third, this review consists of the evaluation methods of flexible oxide TFTs under various mechanical stress conditions. The bending radius and repetition cycles are mostly considering for conventional flexible devices. It summarizes how the device has been degraded/changed under various stress types (directions). The last part of this review suggests a potential of each ALD film, including the releasing stress, the optimization of TFT structure, and the enhancement of device performance. Thus, the functional ALD layers in flexible oxide TFTs offer great possibilities regarding anti-mechanical stress films, along with flexible display and information storage application fields. Project supported by the National Research Foundation of Korea (NRF) (No. NRF-2017R1D1A1B03034035), the Ministry of Trade, Industry & Energy (No. #10051403), and the Korea Semiconductor Research Consortium.
Non-equilibrium transport in the quantum dot: quench dynamics and non-equilibrium steady state
Culver, Adrian; Andrei, Natan
We present an exact method of calculating the non-equilibrium current driven by a voltage drop across a quantum dot. The system is described by the two lead Anderson model at zero temperature with on-site Coulomb repulsion and non-interacting, linearized leads. We prepare the system in an initial state consisting of a free Fermi sea in each lead with the voltage drop given as the difference between the two Fermi levels. We quench the system by coupling the dot to the leads at t = 0 and following the time evolution of the wavefunction. In the long time limit a new type of Bethe Ansatz wavefunction emerges, which satisfies the Lippmann-Schwinger equation with the two Fermi seas serving as the boundary conditions. This exact, non-perturbative solution describes the non-equilibrium steady state of the system. We describe how to use this solution to compute the infinite time limit of the expectation value of the current operator at a given voltage, which would yield the I-V characteristic of the dot. Research supported by NSF Grant DMR 1410583.
Non-Equilibrium Properties from Equilibrium Free Energy Calculations
Pohorille, Andrew; Wilson, Michael A.
2012-01-01
Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.
Manifest and Subtle Cyclic Behavior in Nonequilibrium Steady States
International Nuclear Information System (INIS)
Zia, R K P; Weiss, Jeffrey B; Mandal, Dibyendu; Fox-Kemper, Baylor
2016-01-01
Many interesting phenomena in nature are described by stochastic processes with irreversible dynamics. To model these phenomena, we focus on a master equation or a Fokker-Planck equation with rates which violate detailed balance. When the system settles in a stationary state, it will be a nonequilibrium steady state (NESS), with time independent probability distribution as well as persistent probability current loops. The observable consequences of the latter are explored. In particular, cyclic behavior of some form must be present: some are prominent and manifest, while others are more obscure and subtle. We present a theoretical framework to analyze such properties, introducing the notion of “probability angular momentum” and its distribution. Using several examples, we illustrate the manifest and subtle categories and how best to distinguish between them. These techniques can be applied to reveal the NESS nature of a wide range of systems in a large variety of areas. We illustrate with one application: variability of ocean heat content in our climate system. (paper)
Nonequilibrium localization and the interplay between disorder and interactions
International Nuclear Information System (INIS)
Mascarenhas, Eduardo; Bragança, Helena; Aguiar, M C O; França Santos, M; Drumond, R
2016-01-01
We study the nonequilibrium interplay between disorder and interactions in a closed quantum system. We base our analysis on the notion of dynamical state-space localization, calculated via the Loschmidt echo. Although real-space and state-space localization are independent concepts in general, we show that both perspectives may be directly connected through a specific choice of initial states, namely, maximally localized states (ML-states). We show numerically that in the noninteracting case the average echo is found to be monotonically increasing with increasing disorder; these results are in agreement with an analytical evaluation in the single particle case in which the echo is found to be inversely proportional to the localization length. We also show that for interacting systems, the length scale under which equilibration may occur is upper bounded and such bound is smaller the greater the average echo of ML-states. When disorder and interactions, both being localization mechanisms, are simultaneously at play the echo features a non-monotonic behaviour indicating a non-trivial interplay of the two processes. This interplay induces delocalization of the dynamics which is accompanied by delocalization in real-space. This non-monotonic behaviour is also present in the effective integrability which we show by evaluating the gap statistics. (paper)
Nonequilibrium localization and the interplay between disorder and interactions.
Mascarenhas, Eduardo; Bragança, Helena; Drumond, R; Aguiar, M C O; França Santos, M
2016-05-18
We study the nonequilibrium interplay between disorder and interactions in a closed quantum system. We base our analysis on the notion of dynamical state-space localization, calculated via the Loschmidt echo. Although real-space and state-space localization are independent concepts in general, we show that both perspectives may be directly connected through a specific choice of initial states, namely, maximally localized states (ML-states). We show numerically that in the noninteracting case the average echo is found to be monotonically increasing with increasing disorder; these results are in agreement with an analytical evaluation in the single particle case in which the echo is found to be inversely proportional to the localization length. We also show that for interacting systems, the length scale under which equilibration may occur is upper bounded and such bound is smaller the greater the average echo of ML-states. When disorder and interactions, both being localization mechanisms, are simultaneously at play the echo features a non-monotonic behaviour indicating a non-trivial interplay of the two processes. This interplay induces delocalization of the dynamics which is accompanied by delocalization in real-space. This non-monotonic behaviour is also present in the effective integrability which we show by evaluating the gap statistics.
A non-equilibrium neutral model for analysing cultural change.
Kandler, Anne; Shennan, Stephen
2013-08-07
Neutral evolution is a frequently used model to analyse changes in frequencies of cultural variants over time. Variants are chosen to be copied according to their relative frequency and new variants are introduced by a process of random mutation. Here we present a non-equilibrium neutral model which accounts for temporally varying population sizes and mutation rates and makes it possible to analyse the cultural system under consideration at any point in time. This framework gives an indication whether observed changes in the frequency distributions of a set of cultural variants between two time points are consistent with the random copying hypothesis. We find that the likelihood of the existence of the observed assemblage at the end of the considered time period (expressed by the probability of the observed number of cultural variants present in the population during the whole period under neutral evolution) is a powerful indicator of departures from neutrality. Further, we study the effects of frequency-dependent selection on the evolutionary trajectories and present a case study of change in the decoration of pottery in early Neolithic Central Europe. Based on the framework developed we show that neutral evolution is not an adequate description of the observed changes in frequency. Copyright © 2013 Elsevier Ltd. All rights reserved.
MAGNETIC RECONNECTION IN NON-EQUILIBRIUM IONIZATION PLASMA
International Nuclear Information System (INIS)
Imada, S.; Shimizu, T.; Murakami, I.; Watanabe, T.; Hara, H.
2011-01-01
We have studied the effect of time-dependent ionization and the recombination processes on magnetic reconnection in the solar corona. Petschek-type steady reconnection, in which the magnetic energy is mainly converted at the slow-mode shocks, was assumed. We carried out the time-dependent ionization calculation in the magnetic reconnection structure. We only calculated the transient ionization of iron; the other species were assumed to be in ionization equilibrium. The intensity of line emissions at specific wavelengths was also calculated for comparison with Hinode or other observations in future. We found the following: (1) iron is mostly in non-equilibrium ionization in the reconnection region; (2) the intensity of line emission estimated by the time-dependent ionization calculation is significantly different from that determined from the ionization equilibrium assumption; (3) the effect of time-dependent ionization is sensitive to the electron density in the case where the electron density is less than 10 10 cm –3 ; (4) the effect of thermal conduction lessens the time-dependent ionization effect; and (5) the effect of radiative cooling is negligibly small even if we take into account time-dependent ionization.
Non-equilibrium phenomena near vapor-liquid interfaces
Kryukov, Alexei; Puzina, Yulia
2013-01-01
This book presents information on the development of a non-equilibrium approach to the study of heat and mass transfer problems using vapor-liquid interfaces, and demonstrates its application to a broad range of problems. In the process, the following peculiarities become apparent: 1. At vapor condensation on the interface from gas-vapor mixture, non-condensable components can lock up the interface surface and condensation stops completely. 2. At the evolution of vapor film on the heater in superfluid helium (He-II), the boiling mass flux density from the vapor-liquid interface is effectively zero at the macroscopic scale. 3. In problems concerning the motion of He-II bridges inside capillaries filled by vapor, in the presence of axial heat flux the He-II bridge cannot move from the heater as would a traditional liquid, but in the opposite direction instead. Thus the heater attracts the superfluid helium bridge. 4. The shape of liquid-vapor interface at film boiling on the axis-symmetric heaters immersed in l...
Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys
Martínez, Enrique; Senninger, Oriane; Caro, Alfredo; Soisson, Frédéric; Nastar, Maylise; Uberuaga, Blas P.
2018-03-01
Nonequilibrium chemical redistribution in open systems submitted to external forces, such as particle irradiation, leads to changes in the structural properties of the material, potentially driving the system to failure. Such redistribution is controlled by the complex interplay between the production of point defects, atomic transport rates, and the sink character of the microstructure. In this work, we analyze this interplay by means of a kinetic Monte Carlo (KMC) framework with an underlying atomistic model for the Fe-Cr model alloy to study the effect of ideal defect sinks on Cr concentration profiles, with a particular focus on the role of interface density. We observe that the amount of segregation decreases linearly with decreasing interface spacing. Within the framework of the thermodynamics of irreversible processes, a general analytical model is derived and assessed against the KMC simulations to elucidate the structure-property relationship of this system. Interestingly, in the kinetic regime where elimination of point defects at sinks is dominant over bulk recombination, the solute segregation does not directly depend on the dose rate but only on the density of sinks. This model provides new insight into the design of microstructures that mitigate chemical redistribution and improve radiation tolerance.
Shot noise enhancement from non-equilibrium plasmons in Luttinger liquid junctions
International Nuclear Information System (INIS)
Kim, Jaeuk U; Kinaret, Jari M; Choi, Mahn-Soo
2005-01-01
We consider a quantum wire double junction system with each wire segment described by a spinless Luttinger model, and study theoretically shot noise in this system in the sequential tunnelling regime. We find that the non-equilibrium plasmonic excitations in the central wire segment give rise to qualitatively different behaviour compared to the case with equilibrium plasmons. In particular, shot noise is greatly enhanced by them, and exceeds the Poisson limit. We show that the enhancement can be explained by the emergence of several current-carrying processes, and that the effect disappears if the channels effectively collapse to one because of fast plasmon relaxation processes, for example
Jiang, Da-Quan; Qian, Min-Ping
2004-01-01
This volume provides a systematic mathematical exposition of the conceptual problems of nonequilibrium statistical physics, such as entropy production, irreversibility, and ordered phenomena. Markov chains, diffusion processes, and hyperbolic dynamical systems are used as mathematical models of physical systems. A measure-theoretic definition of entropy production rate and its formulae in various cases are given. It vanishes if and only if the stationary system is reversible and in equilibrium. Moreover, in the cases of Markov chains and diffusion processes on manifolds, it can be expressed in terms of circulations on directed cycles. Regarding entropy production fluctuations, the Gallavotti-Cohen fluctuation theorem is rigorously proved.
Ghosh, Shampa; Sinha, Jitendra Kumar; Raghunath, Manchala
2016-09-01
DNA damage caused by various sources remains one of the most researched topics in the area of aging and neurodegeneration. Increased DNA damage causes premature aging. Aging is plastic and is characterised by the decline in the ability of a cell/organism to maintain genomic stability. Lifespan can be modulated by various interventions like calorie restriction, a balanced diet of macro and micronutrients or supplementation with nutrients/nutrient formulations such as Amalaki rasayana, docosahexaenoic acid, resveratrol, curcumin, etc. Increased levels of DNA damage in the form of double stranded and single stranded breaks are associated with decreased longevity in animal models like WNIN/Ob obese rats. Erroneous DNA repair can result in accumulation of DNA damage products, which in turn result in premature aging disorders such as Hutchinson-Gilford progeria syndrome. Epigenomic studies of the aging process have opened a completely new arena for research and development of drugs and therapeutic agents. We propose here that agents or interventions that can maintain epigenomic stability and facilitate the DNA repair process can slow down the progress of premature aging, if not completely prevent it. © 2016 IUBMB Life, 68(9):717-721, 2016. © 2016 International Union of Biochemistry and Molecular Biology.
Kleidon, Axel
2009-06-01
The Earth system is maintained in a unique state far from thermodynamic equilibrium, as, for instance, reflected in the high concentration of reactive oxygen in the atmosphere. The myriad of processes that transform energy, that result in the motion of mass in the atmosphere, in oceans, and on land, processes that drive the global water, carbon, and other biogeochemical cycles, all have in common that they are irreversible in their nature. Entropy production is a general consequence of these processes and measures their degree of irreversibility. The proposed principle of maximum entropy production (MEP) states that systems are driven to steady states in which they produce entropy at the maximum possible rate given the prevailing constraints. In this review, the basics of nonequilibrium thermodynamics are described, as well as how these apply to Earth system processes. Applications of the MEP principle are discussed, ranging from the strength of the atmospheric circulation, the hydrological cycle, and biogeochemical cycles to the role that life plays in these processes. Nonequilibrium thermodynamics and the MEP principle have potentially wide-ranging implications for our understanding of Earth system functioning, how it has evolved in the past, and why it is habitable. Entropy production allows us to quantify an objective direction of Earth system change (closer to vs further away from thermodynamic equilibrium, or, equivalently, towards a state of MEP). When a maximum in entropy production is reached, MEP implies that the Earth system reacts to perturbations primarily with negative feedbacks. In conclusion, this nonequilibrium thermodynamic view of the Earth system shows great promise to establish a holistic description of the Earth as one system. This perspective is likely to allow us to better understand and predict its function as one entity, how it has evolved in the past, and how it is modified by human activities in the future.
International Nuclear Information System (INIS)
Kustova, Elena V.; Kremer, Gilberto M.
2014-01-01
Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N 2 flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure
2015-01-01
This book presents cutting-edge experimental and computational results and provides comprehensive coverage on the impact of non-equilibrium structure and dynamics on the properties of soft matter confined to the nanoscale. The book is organized into three main sections: · Equilibration and physical aging: by treating non-equilibrium phenomena with the formal methodology of statistical physics in bulk, the analysis of the kinetics of equilibration sheds new light on the physical origin of the non-equilibrium character of thin polymer films. Both the impact of sample preparation and that of interfacial interactions are analyzed using a large set of experiments. A historical overview of the investigation of the non-equilibrium character of thin polymer films is also presented. Furthermore, the discussion focuses on how interfaces and geometrical confinement perturb the pathways and kinetics of equilibrations of soft glasses (a process of tremendous technological interest). · Irr...
Energy Technology Data Exchange (ETDEWEB)
Kustova, Elena V., E-mail: e.kustova@spbu.ru [Department of Mathematics and Mechanics, Saint Petersburg State University, 198504 Universitetskiy pr. 28, Saint Petersburg (Russian Federation); Kremer, Gilberto M., E-mail: kremer@fisica.ufpr.br [Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19044, 81531-980 Curitiba (Brazil)
2014-12-05
Highlights: • State-to-state approach for coupled vibrational relaxation and chemical reactions. • Self-consistent model for rates of non-equilibrium reactions and energy transitions. • In viscous flows mass action law is violated. • Cross coupling between reaction rates and non-equilibrium pressure in viscous flow. • Results allow implementing the state-to-state approach for viscous flow simulations. - Abstract: Viscous gas flows with vibrational relaxation and chemical reactions in the state-to-state approach are analyzed. A modified Chapman–Enskog method is used for the determination of chemical reaction and vibrational transition rates and non-equilibrium pressure. Constitutive equations depend on the thermodynamic forces: velocity divergence and chemical reaction/transition affinity. As an application, N{sub 2} flow with vibrational relaxation across a shock wave is investigated. Two distinct processes occur behind the shock: for small values of the distance the affinity is large and vibrational relaxation is in its initial stage; for large distances the affinity is small and the chemical reaction is in its final stage. The affinity contributes more to the transition rate than the velocity divergence and the effect of these two contributions are more important for small distances from the shock front. For the non-equilibrium pressure, the term associated with the bulk viscosity increases by a small amount the hydrostatic pressure.
International Nuclear Information System (INIS)
Bystrenko, O; Bystrenko, T
2010-01-01
The properties of non-equilibrium magnetized plasmas confined in planar geometry are studied on the basis of first-principle microscopic Langevin dynamics computer simulations. The non-equilibrium state of plasmas is maintained due to the recombination and generation of charges. The intrinsic microscopic structure of non-equilibrium steady-state magnetized plasmas, in particular the inter-particle correlations and self-organization of vortex structures, are examined. The simulations have been performed for a wide range of parameters including strong plasma coupling, high charge recombination and generation rates and intense magnetic field. As is shown in simulations, the non-equilibrium recombination and generation processes trigger the formation of ordered dissipative or coherent drift vortex states in 2D plasmas with distinctly spatially separated components, which are far from thermal equilibrium. This is evident from the unusual properties of binary distributions and behavior of the Coulomb energy of the system, which turn out to be quite different from the ones typical for the equilibrium state of plasmas under the same conditions.
Entropy and density of states from isoenergetic nonequilibrium processes
Adib, Artur B.
2005-05-01
Two identities in statistical mechanics involving entropy differences (or ratios of densities of states) at constant energy are derived. The first provides a nontrivial extension of the Jarzynski equality to the microcanonical ensemble [C. Jarzynski, Phys. Rev. Lett. 78, 2690 (1997)], which can be seen as a “fast-switching” version of the adiabatic switching method for computing entropies [M. Watanabe and W. P. Reinhardt, Phys. Rev. Lett. 65, 3301 (1990)]. The second is a thermodynamic integration formula analogous to a well-known expression for free energies, and follows after taking the quasistatic limit of the first. Both identities can be conveniently used in conjunction with a scaling relation (herein derived) that allows one to extrapolate measurements taken at a single energy to a wide range of energy values. Practical aspects of these identities in the context of numerical simulations are discussed.
Anomalous relaxation and self-organization in nonequilibrium processes
International Nuclear Information System (INIS)
Fatkullin, Ibrahim; Kladko, Konstantin; Mitkov, Igor; Bishop, A. R.
2001-01-01
We study thermal relaxation in ordered arrays of coupled nonlinear elements with external driving. We find that our model exhibits dynamic self-organization manifested in a universal stretched-exponential form of relaxation. We identify two types of self-organization, cooperative and anticooperative, which lead to fast and slow relaxation, respectively. We give a qualitative explanation for the behavior of the stretched exponent in different parameter ranges. We emphasize that this is a system exhibiting stretched-exponential relaxation without explicit disorder or frustration
Directory of Open Access Journals (Sweden)
L.O. Voloshynа
2016-10-01
Full Text Available Objective: to study the prevalence and forms of hypothyroidism in patients with osteoarthritis (OA and to investigate the effect of phytomedication zobofit on the functional and morphological status of the thyroid gland, the manifestations of comorbid diseases, oxidative status, fibrinolytic and proteolytic activity of the blood. Materials and methods. In 312 patients with OA, we have studied the manifestations of comorbid processes, and among them — hypothyroidism phenomena. We have used clinical, biochemical, radioimmunological, ultrasound methods. Results. All patients with OA after 50 years had the increasing number and severity of comorbid processes. Among them, 4.48 % of patients has symptomatic and 13.78 % — subclinical hypothyroidism. Symptoms of hypothyroidism were marked in people over 55, especially — over 60 years. Subclinical hypothyroidism slightly worsened clinical symptoms of OA and comorbid processes, but enhanced the effects of oxidative stress, reduction of fibrinolytic and increase of proteolytic activity of the blood, impaired glomerular filtration rate of the kidneys. The above is considered as non-specific pathophysiological basis for the progression of identified ailments. Three-month application of the herbal medication zobofit in most patients has normalized thyroid homeostasis, improved overall outcomes of the treatment for underlying and comorbid illnesses, reduced the severity of metabolic disorders. Conclusions. In OA patients aged over 50 years with a high level of comorbidity, it is necessary to carry out screening for hypothyroidism. If you noticed the signs of subclinical hypothyroidism in this population of patients, it is appropriate to use multicomponental phytomedications with diverse thyroid-stimulating action.
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
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.
Inviscid flux-splitting algorithms for real gases with non-equilibrium chemistry
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.
JW, Schramm; Jin, H.; Keeling, EG; Johnson, M.; Shin, HJ
2017-05-01
This paper reports on our use of a fine-grained learning progression to assess secondary students' reasoning through carbon-transforming processes (photosynthesis, respiration, biosynthesis). Based on previous studies, we developed a learning progression with four progress variables: explaining mass changes, explaining energy transformations, explaining subsystems, and explaining large-scale systems. For this study, we developed a 2-week teaching module integrating these progress variables. Students were assessed before and after instruction, with the learning progression framework driving data analysis. Our work revealed significant overall learning gains for all students, with the mean post-test person proficiency estimates higher by 0.6 logits than the pre-test proficiency estimates. Further, instructional effects were statistically similar across all grades included in the study (7th-12th) with students in the lowest third of initial proficiency evidencing the largest learning gains. Students showed significant gains in explaining the processes of photosynthesis and respiration and in explaining transformations of mass and energy, areas where prior research has shown that student misconceptions are prevalent. Student gains on items about large-scale systems were higher than with other variables (although absolute proficiency was still lower). Gains across each of the biological processes tested were similar, despite the different levels of emphasis each had in the teaching unit. Together, these results indicate that students can benefit from instruction addressing these processes more explicitly. This requires pedagogical design quite different from that usually practiced with students at this level.
Time Dependent Hartree Fock Equation: Gateway to Nonequilibrium Plasmas
International Nuclear Information System (INIS)
Dufty, James W.
2007-01-01
This is the Final Technical Report for DE-FG02-2ER54677 award 'Time Dependent Hartree Fock Equation - Gateway to Nonequilibrium Plasmas'. Research has focused on the nonequilibrium dynamics of electrons in the presence of ions, both via basic quantum theory and via semi-classical molecular dynamics (MD) simulation. In addition, fundamental notions of dissipative dynamics have been explored for models of grains and dust, and for scalar fields (temperature) in turbulent edge plasmas. The specific topics addressed were Quantum Kinetic Theory for Metallic Clusters, Semi-classical MD Simulation of Plasmas , and Effects of Dissipative Dynamics.
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
Convection with local thermal non-equilibrium and microfluidic effects
Straughan, Brian
2015-01-01
This book is one of the first devoted to an account of theories of thermal convection which involve local thermal non-equilibrium effects, including a concentration on microfluidic effects. The text introduces convection with local thermal non-equilibrium effects in extraordinary detail, making it easy for readers newer to the subject area to understand. This book is unique in the fact that it addresses a large number of convection theories and provides many new results which are not available elsewhere. This book will be useful to researchers from engineering, fluid mechanics, and applied mathematics, particularly those interested in microfluidics and porous media.
Non-equilibrium thermodynamics, maximum entropy production and Earth-system evolution.
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
Numerical simulations of a nonequilibrium argon plasma in a shock-tube experiment
Cambier, Jean-Luc
1991-01-01
A code developed for the numerical modeling of nonequilibrium radiative plasmas is applied to the simulation of the propagation of strong ionizing shock waves in argon gas. The simulations attempt to reproduce a series of shock-tube experiments which will be used to validate the numerical models and procedures. The ability to perform unsteady simulations makes it possible to observe some fluctuations in the shock propagation, coupled to the kinetic processes. A coupling mechanism by pressure waves, reminiscent of oscillation mechanisms observed in detonation waves, is described. The effect of upper atomic levels is also briefly discussed.
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.)
An unstructured shock-fitting solver for hypersonic plasma flows in chemical non-equilibrium
Pepe, R.; Bonfiglioli, A.; D'Angola, A.; Colonna, G.; Paciorri, R.
2015-11-01
A CFD solver, using Residual Distribution Schemes on unstructured grids, has been extended to deal with inviscid chemical non-equilibrium flows. The conservative equations have been coupled with a kinetic model for argon plasma which includes the argon metastable state as independent species, taking into account electron-atom and atom-atom processes. Results in the case of an hypersonic flow around an infinite cylinder, obtained by using both shock-capturing and shock-fitting approaches, show higher accuracy of the shock-fitting approach.
Estimation of Nuclei Cooling Time by Electrons in Superdense Nonequilibrium Plasma
Kostenko, B F
2004-01-01
Estimations of nuclei cooling time by electrons in superdense nonequilibrium plasma formed at cavitation bubble collapse in deuterated acetone have been carried out. The necessity of these computations was stipulated by using in the latest theoretical calculations of nuclear reaction rate in these processes one poorly grounded assumption that electron temperatures remain essentially lower than nuclei ones during thermonuclear synthesis time t_s. The estimations have shown that the initial electron temperatures at the moment of superdense plasma formation with \\rho =100 g/cm^3 turn out to be appreciably lower than the nuclear temperatures, while the nuclei cooling time is of the same order as t_s.
International Nuclear Information System (INIS)
Lin, W.; Wilder, D.G.; Blink, J.
1994-10-01
This is a progress report on the Large Block Test (LBT) project. The purpose of the LBT is to study some of the coupled thermal-mechanical-hydrological-chemical (TMHC) processes in the near field of a nuclear waste repository under controlled boundary conditions. To do so, a large block of Topopah Spring tuff will be heated from within for about 4 to 6 months, then cooled down for about the same duration. Instruments to measure temperature, moisture content, stress, displacement, and chemical changes will be installed in three directions in the block. Meanwhile, laboratory tests will be conducted on small blocks to investigate individual thermal-mechanical, thermal-hydrological, and thermal-chemical processes. The fractures in the large block will be characterized from five exposed surfaces. The minerals on fracture surfaces will be studied before and after the test. The results from the LBT will be useful for testing and building confidence in models that will be used to predict TMHC processes in a repository. The boundary conditions to be controlled on the block include zero moisture flux and zero heat flux on the sides, constant temperature on the top, and constant stress on the outside surfaces of the block. To control these boundary conditions, a load-retaining frame is required. A 3 x 3 x 4.5 m block of Topopah Spring tuff has been isolated on the outcrop at Fran Ridge, Nevada Test Site. Pre-test model calculations indicate that a permeability of at least 10 -15 m 2 is required so that a dryout zone can be created within a practical time frame when the block is heated from within. Neutron logging was conducted in some of the vertical holes to estimate the initial moisture content of the block. It was found that about 60 to 80% of the pore volume of the block is saturated with water. Cores from the vertical holes have been used to map the fractures and to determine the properties of the rock. A current schedule is included in the report
Effects of Nonequilibrium Plasmas on Eukaryotic Cells
2009-05-01
effects of the plasma bullets on bacteria of dental relevance, Streptococcus mutans , which is implicated in the onset and progression of dental caries...Hynes " Experimental Investigations of Plasma Bullets and their Effects on Streptococcus mutans ", In Proc. 2nd Int. Conf. Plasma Medicine, San...S. mutans is a cariogenic organism that contributes to caries in infants, children and adults. S. mutans alone are not difficult to destroy; however
Heat and fluid flow during rapid solidification of non-equilibrium materials
International Nuclear Information System (INIS)
Negli, S.C.; Eddingfield, D.L.; Brower, W.E. Jr.
1990-01-01
Rapid solidification technology (RST) is an advanced solidification process which is being utilized to produce non-equilibrium structures with properties not previously available with conventionally cast materials. An iron based alloy rapidly quenched to form a metallic glass is being installed on a large scale in electric power transformers where it cuts heat losses dramatically. The formation of a non-equilibrium structure usually requires a cooling rate of at least a million degrees per second. Achieving this high a cooling rate depends not only on the heat transfer conditions during the quenching process, but also on the fluid flow conditions in the molten metal before and during solidification. This paper presents a model of both heat and fluid flow during RST by the hammer and anvil method. The symmetry of two sided cooling permits analysis which is still applicable to the one sided cooling that occurs during melt spinning, the prevalent method of RST. The heat flow is modeled as one dimensional, normal to the quench surface. Previous models have shown the heat flow in the plane of the quench surface not to be significant. The fluid flow portion of the model utilizes the squeeze film solution for flow between two parallel flat plates. The model predicts the effects of superheat of the melt and of the quench hammer speed upon cooling rate during the formation of nonequilibrium phases. An unexpected result is that increased superheat results in much higher cooling rates, due to fluid flow before a potential transformation would take place; this enhanced liquid metal flow results in a thinner section casting which in turn has a dominant effect on the cooling rate. The model also predicts an expanded regime of Newtonian (interface controlled) cooling by about a factor of ten as compared to previous model of RST
Nonequilibrium thermodynamic fluctuations and phase transition in black holes
International Nuclear Information System (INIS)
Su, R.; Cai, R.; Yu, P.K.N.
1994-01-01
Landau nonequilibrium fluctuation and phase transition theory is applied to the discussion of the phase transition of black holes. Some second moments of relevant thermodynamical quantities for Kerr-Newman black holes are estimated. A theorem governing the divergence of some second moments and the occurrence of the phase transition in black holes is given
SRB states and nonequilibrium statistical mechanics close to equilibrium
Gallavotti, Giovannni; Ruelle, David
1996-01-01
Nonequilibrium statistical mechanics close to equilibrium is studied using SRB states and a formula for their derivatives with respect to parameters. We write general expressions for the thermodynamic fluxes (or currents) and the transport coefficients, generalizing previous results. In this framework we give a general proof of the Onsager reciprocity relations.
Non-equilibrium microwave plasma for efficient high temperature chemistry
van den Bekerom, D.C.M.; den Harder, N.; Minea, T.; Palomares Linares, J.M.; Bongers, W.; van de Sanden, M.C.M.; van Rooij, G.J.
2017-01-01
This article describes a flowing microwave reactor that is used to drive efficient non-equilibrium chemistry for the application of conversion/activation of stable molecules such as CO2, N2 and CH4. The goal of the procedure described here is to measure the in situ gas temperature and gas
Nonlinear and Nonequilibrium Spin Injection in Magnetic Tunneling Junctions
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).
Principle of Entropy Maximization for Nonequilibrium Steady States
DEFF Research Database (Denmark)
Shapiro, Alexander; Stenby, Erling Halfdan
2002-01-01
The goal of this contribution is to find out to what extent the principle of entropy maximization, which serves as a basis for the equilibrium thermodynamics, may be generalized onto non-equilibrium steady states. We prove a theorem that, in the system of thermodynamic coordinates, where entropy...
Supersymmetric Field Theory of Non-Equilibrium Thermodynamic System
Olemskoi, Alexander I.; Brazhnyi, Valerii A.
1998-01-01
On the basis of Langevin equation the optimal SUSY field scheme is formulated to discribe a non-equilibrium thermodynamic system with quenched disorder and non-ergodicity effects. Thermodynamic and isothermal susceptibilities, memory parameter and irreversible response are determined at different temperatures and quenched disorder intensities.
Fluctuation and dissipation in nonequilibrium quantum field theory
International Nuclear Information System (INIS)
Ramos, Rudnei O.
1994-01-01
The nonequilibrium dynamics of a scalar field is studied using perturbation theory and a real time finite temperature formulation. The evolution equation for the scalar field is explicitly obtained, and terms responsible for noise (fluctuations) and dissipation are identified and studied in the high temperature limit. (author)
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.
Non-equilibrium and band tailing in organic conductors
Indian Academy of Sciences (India)
. Non-equilibrium ... Introduction. Study of organic conductors and semiconductors continues to generate interest with the ... Band tailing reduces band gap or the acti- ..... (9), we can identify Eg(0) with the focal point and is proportional to P2. 1 .
Coherence enhanced quantum metrology in a nonequilibrium optical molecule
Wang, Zhihai; Wu, Wei; Cui, Guodong; Wang, Jin
2018-03-01
We explore the quantum metrology in an optical molecular system coupled to two environments with different temperatures, using a quantum master equation beyond secular approximation. We discover that the steady-state coherence originating from and sustained by the nonequilibrium condition can enhance quantum metrology. We also study the quantitative measures of the nonequilibrium condition in terms of the curl flux, heat current and entropy production at the steady state. They are found to grow with temperature difference. However, an apparent paradox arises considering the contrary behaviors of the steady-state coherence and the nonequilibrium measures in relation to the inter-cavity coupling strength. This paradox is resolved by decomposing the heat current into a population part and a coherence part. Only the latter, the coherence part of the heat current, is tightly connected to the steady-state coherence and behaves similarly with respect to the inter-cavity coupling strength. Interestingly, the coherence part of the heat current flows from the low-temperature reservoir to the high-temperature reservoir, opposite to the direction of the population heat current. Our work offers a viable way to enhance quantum metrology for open quantum systems through steady-state coherence sustained by the nonequilibrium condition, which can be controlled and manipulated to maximize its utility. The potential applications go beyond quantum metrology and extend to areas such as device designing, quantum computation and quantum technology in general.
Nonequilibrium two-dimensional Ising model with stationary uphill diffusion
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.
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
Fluctuation theorems and orbital magnetism in nonequilibrium state
Indian Academy of Sciences (India)
We study Langevin dynamics of a driven charged particle in the presence as well as in the absence of magnetic field. We discuss the validity of various work fluctuation theorems using different model potentials and external drives. We also show that one can generate an orbital magnetic moment in a nonequilibrium state ...
On the forces and fluxes in non-equilibrium thermodynamics
International Nuclear Information System (INIS)
Kitahara, Kazuo
1986-01-01
A formulation of non-equilibrium thermodynamics of continuum systems based on local equilibrium assumption is reported. Thermodynamic forces are defined from a generalized local entropy and irreversible fluxes are defined as non-advective parts of fluxes of conservative quantities. The validity of the general evolution criterion and its generalization is discussed. (author)
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
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.
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
International Nuclear Information System (INIS)
Barcina, I.; Gonzalez, J.M.; Iriberri, J.; Egea, L.
1989-01-01
Some effects of visible light on the survival of Escherichia coli in waters of the Butron river were studied by comparing illuminated and nonilluminated systems. The following count methods were used: CFU on a selective medium (eosin-methylene blue agar), CFU on a medium of recuperation (Trypticase soy agar with yeast extract and glucose), number of metabolically active cells by reduction of 2-(p-iodophenyl)-3-(p-nitrophenyl)-5-phenyl tetrazolium chloride (INT) to INT-formazan, and total number of E. coli cells as determined by the acridine orange direct-count method. In the illuminated systems, decreases in CFU of E. coli and in the number of metabolically active cells were observed. However, no decline of the total number of E. coli cells was observed. By count methods, different stages of progressive dormancy of E. coli cells were determined to exist in illuminated systems. Culturable and recoverable cells were defined as viable cells, and metabolically active cells and morphologically intact cells were defined as somnicells. Indirect activity measurements were also done by using [14C]glucose. In illuminated systems, a decrease of glucose uptake by E. coli cells was observed throughout the experiments. The assimilated fraction of [14C]glucose decreased faster than the respired fraction in illuminated systems. The percentage of respired [14C]glucose (14CO2 production) with respect to the total glucose uptake increased throughout the experiments, and the percentage of assimilated glucose decreased. Therefore, the visible light was also responsible for an additional inhibition of biosynthetic processes
Vigneau, Francois; Bors, Douglas A.
2008-01-01
Various taxonomies of Raven's Advanced Progressive Matrices (APM) items have been proposed in the literature to account for performance on the test. In the present article, three such taxonomies based on information processing, namely Carpenter, Just and Shell's [Carpenter, P.A., Just, M.A., & Shell, P., (1990). What one intelligence test…
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