WorldWideScience

Sample records for energetic nonequilibrium microstructure

  1. Influence of pre-strain on thermal stability of non-equilibrium microstructures in a low alloy steel

    International Nuclear Information System (INIS)

    Sun, Chao; Yang, Shanwu; Wang, Xian; Zhang, Rui; He, Xinlai

    2013-01-01

    Highlights: ► High pre-strain and low pre-strain influence differently on thermal stability of non-equilibrium microstructures. ► High pre-strain, in which dislocation sources can be actuated and dislocation density is increased excessively, will markedly promote recrystallization. ► Low pre-strain, in which dislocations are induced to redistribute into a low-energy structure, can slow down microstructure evolution. -- Abstract: Non-equilibrium microstructures in steels including martensite and bainite, which are main phases in current high strength steels, possess high strength and hardness. However, these microstructures are metastable due to their high density of crystal defects. In the present investigation, hardness test, optical microscopy and electron microscopy have been carried out to detect microstructure evolution in a low alloy steel, which was reheated and held isothermally at 550 °C. Special emphasis was put on influence of pre-strain on thermal stability of non-equilibrium microstructures. It is found that high pre-strain, in which dislocation sources can be actuated and dislocation density is increased excessively, will markedly promote recrystallization of non-equilibrium microstructures at 550 °C, while low pre-strain, in which only can mono-glide of dislocations can be operated in each grain and dislocations are induced to redistribute into a low-energy structure, can slow down microstructure evolution

  2. Multiscale Modeling of Grain Boundaries in ZrB2: Structure, Energetics, and Thermal Resistance

    Science.gov (United States)

    Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W., Jr.

    2012-01-01

    A combination of ab initio, atomistic and finite element methods (FEM) were used to investigate the structures, energetics and lattice thermal conductance of grain boundaries for the ultra high temperature ceramic ZrB2. Atomic models of idealized boundaries were relaxed using density functional theory. Information about bonding across the interfaces was determined from the electron localization function. The Kapitza conductance of larger scale versions of the boundary models were computed using non-equilibrium molecular dynamics. The interfacial thermal parameters together with single crystal thermal conductivities were used as parameters in microstructural computations. FEM meshes were constructed on top of microstructural images. From these computations, the effective thermal conductivity of the polycrystalline structure was determined.

  3. Chemical kinetics and relaxation of non-equilibrium air plasma generated by energetic photon and electron beams

    International Nuclear Information System (INIS)

    Maulois, Melissa; Ribière, Maxime; Eichwald, Olivier; Yousfi, Mohammed; Azaïs, Bruno

    2016-01-01

    The comprehension of electromagnetic perturbations of electronic devices, due to air plasma-induced electromagnetic field, requires a thorough study on air plasma. In the aim to understand the phenomena at the origin of the formation of non-equilibrium air plasma, we simulate, using a volume average chemical kinetics model (0D model), the time evolution of a non-equilibrium air plasma generated by an energetic X-ray flash. The simulation is undertaken in synthetic air (80% N_2 and 20% O_2) at ambient temperature and atmospheric pressure. When the X-ray flash crosses the gas, non-relativistic Compton electrons (low energy) and a relativistic Compton electron beam (high energy) are simultaneously generated and interact with the gas. The considered chemical kinetics scheme involves 26 influent species (electrons, positive ions, negative ions, and neutral atoms and molecules in their ground or metastable excited states) reacting following 164 selected reactions. The kinetics model describing the plasma chemistry was coupled to the conservation equation of the electron mean energy, in order to calculate at each time step of the non-equilibrium plasma evolution, the coefficients of reactions involving electrons while the energy of the heavy species (positive and negative ions and neutral atoms and molecules) is assumed remaining close to ambient temperature. It has been shown that it is the relativistic Compton electron beam directly created by the X-ray flash which is mainly responsible for the non-equilibrium plasma formation. Indeed, the low energy electrons (i.e., the non-relativistic ones) directly ejected from molecules by Compton collisions contribute to less than 1% on the creation of electrons in the plasma. In our simulation conditions, a non-equilibrium plasma with a low electron mean energy close to 1 eV and a concentration of charged species close to 10"1"3" cm"−"3 is formed a few nanoseconds after the peak of X-ray flash intensity. 200 ns after the

  4. Interpretation of microstructure evolution during self-annealing and thermal annealing of nanocrystalline electrodeposits—A comparative study

    DEFF Research Database (Denmark)

    Pantleon, Karen; Somers, Marcel A. J.

    2010-01-01

    and nickel electrodeposits was achieved by time-resolved X-ray diffraction line profile analysis and crystallographic texture analysis during room temperature storage and during isothermal annealing at elevated temperatures. These in-situ studies with unique time resolution allowed quantification of the self-annealing......Electrodeposition results in a non-equilibrium state of the as-deposited nanocrystalline microstructure, which evolves towards an energetically more favorable state as a function of time and/or temperature upon deposition. Real-time investigation of the evolving microstructure in copper, silver...... kinetics of copper and silver electrodeposits as well as the annealing kinetics of electrodeposited nickel. Similarities and characteristic differences of the kinetics and mechanisms of microstructure evolution in the various electrodeposits are discussed and the experimental results are attempted...

  5. New approach for sustaining energetic, efficient and scalable non-equilibrium plasma in water vapours at atmospheric pressure

    International Nuclear Information System (INIS)

    Malik, Muhammad Arif; Schoenbach, Karl H

    2012-01-01

    Energetic and scalable non-equilibrium plasma was formed in pure water vapour at atmospheric pressure between wire-to-strip electrodes on a dielectric surface with one of the electrodes extended forming a conductive plane on the back side of the dielectric surface. The energy deposition increased by an order of magnitude compared with the conventional pulsed corona discharges under the same conditions. The scalability was demonstrated by operating two electrode assemblies with a common conductive plane between two dielectric layers. The energy yields for hydrogen and hydrogen peroxide generation were measured as ∼1.2 g H 2 /kWh and ∼4 g H 2 O 2 /kWh. (fast track communication)

  6. Interpretation of microstructure evolution during self-annealing and thermal annealing of nanocrystalline electrodeposits-A comparative study

    International Nuclear Information System (INIS)

    Pantleon, Karen; Somers, Marcel A.J.

    2010-01-01

    Electrodeposition results in a non-equilibrium state of the as-deposited nanocrystalline microstructure, which evolves towards an energetically more favorable state as a function of time and/or temperature upon deposition. Real-time investigation of the evolving microstructure in copper, silver and nickel electrodeposits was achieved by time-resolved X-ray diffraction line profile analysis and crystallographic texture analysis during room temperature storage and during isothermal annealing at elevated temperatures. These in-situ studies with unique time resolution allowed quantification of the self-annealing kinetics of copper and silver electrodeposits as well as the annealing kinetics of electrodeposited nickel. Similarities and characteristic differences of the kinetics and mechanisms of microstructure evolution in the various electrodeposits are discussed and the experimental results are attempted to be interpreted in terms of recovery, recrystallization and grain growth.

  7. Combined effect of non-equilibrium solidification and thermal annealing on microstructure evolution and hardness behavior of AZ91 magnesium alloy

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Z.Z.; Yang, W., E-mail: weiyang@mail.nwpu.edu.cn; Chen, S.H.; Yu, H.; Xu, Z.F.

    2014-06-15

    Non-equilibrium solidification of commercial AZ91 magnesium alloy was performed by copper mold spray-casting technique and the thermal stability property of as-formed meta-stable microstructure was investigated by subsequent annealing at different temperatures and times. Remarkable grain refinement appears with increasing cooling rate during solidification process, which is accompanied by a visible cellular/dendrite transition for the grain morphology of primary phase. Moreover, the non-equilibrium solidified alloy exhibits obvious precipitation hardening effect upon annealing at 200 °C, and the precipitation mode of β-Mg{sub 17}Al{sub 12} phase changes from discontinuous to continuous with extending isothermal time from 4 h to 16 h, which generates an increase of resultant micro-hardness value. After solid solution treatment at the elevated temperature of 420 °C, the volume fraction of β-Mg{sub 17}Al{sub 12} phase decreases and a notable grain growth phenomenon occurs, which give rise to a reduction of hardness in comparison with that of as-quenched alloy.

  8. Application of ultra-small-angle X-ray scattering / X-ray photon correlation spectroscopy to relate equilibrium or non-equilibrium dynamics to microstructure

    Science.gov (United States)

    Allen, Andrew; Zhang, Fan; Levine, Lyle; Ilavsky, Jan

    2013-03-01

    Ultra-small-angle X-ray scattering (USAXS) can probe microstructures over the nanometer-to-micrometer scale range. Through use of a small instrument entrance slit, X-ray photon correlation spectroscopy (XPCS) exploits the partial coherence of an X-ray synchrotron undulator beam to provide unprecedented sensitivity to the dynamics of microstructural change. In USAXS/XPCS studies, the dynamics of local structures in a scale range of 100 nm to 1000 nm can be related to an overall hierarchical microstructure extending from 1 nm to more than 1000 nm. Using a point-detection scintillator mode, the equilibrium dynamics at ambient temperature of small particles (which move more slowly than nanoparticles) in aqueous suspension have been quantified directly for the first time. Using a USAXS-XPCS scanning mode for non-equilibrium dynamics incipient processes within dental composites have been elucidated, prior to effects becoming detectable using any other technique. Use of the Advanced Photon Source, an Office of Science User Facility operated for the United States Department of Energy (U.S. DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357.

  9. Nonequilibrium self-organization in alloys under irradiation leading to the formation of nano composites

    CERN Document Server

    Enrique, R A; Averback, R S; Bellon, P

    2003-01-01

    Alloys under irradiation are continuously driven away from equilibrium: Every time an external particle interacts with the atoms in the solid, a perturbation very localized in space and time is produced. Under this external forcing, phase and microstructural evolution depends ultimately on the dynamical interaction between the external perturbation and the internal recovery kinetics of the alloy. We consider the nonequilibrium steady state of an immiscible binary alloy subject to mixing by heavy-ion irradiation. It has been found that the range of the forced atomic relocations taking place during collision cascades plays an important role on the final microstructure: when this range is large enough, it can lead to the spontaneous formation of compositional patterns at the nanometer scale. These results were rationalized in the framework of a continuum model solved by deriving a nonequilibrium thermodynamic potential. Here we derive the nonequilibrium structure factor by including the role of fluctuations. In ...

  10. 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.

  11. Nonequilibrium thermodynamics of dilute polymer solutions in flow.

    Science.gov (United States)

    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.

  12. Probing the conformational energetics of alkyl thiols on gold surfaces by means of a morphing/steering non-equilibrium tool.

    Science.gov (United States)

    Piserchia, Andrea; Zerbetto, Mirco; Frezzato, Diego

    2015-03-28

    In this work we show that a non-equilibrium statistical tool based on Jarzynski's equality (JE) can be applied to achieve a sufficiently accurate mapping of the torsion free energy, bond-by-bond, for an alkyl thiol ligand tethered to a gold surface and sensing the presence of the surrounding cluster of similar chains. The strength of our approach is the employment of a strategy to let grow the internal energetics of the whole system (namely, the "energy morphing" stage recently presented by us in J. Comput. Chem., 2014, 35, 1865-1881) before initiating the rotational steering, which yields accurate results in terms of statistical uncertainties and bias on the free energy profiles. The work is mainly methodological and illustrates the feasibility of this kind of inspection on nanoscale molecular clusters with conformational flexibility. The outcomes for the archetype of self-assembled-monolayers considered here, a regular pattern of 10-carbon alkyl thiols on an ideal gold surface, give information on the conformational mobility of the ligands. Notably, such information is unlikely to be obtained by means of standard equilibrium techniques or by conventional molecular dynamics simulations.

  13. Evolution of phase microstructure during irradiation

    International Nuclear Information System (INIS)

    Wiedersich, H.

    1985-11-01

    The phase microstructure of alloys is frequently severely altered during irradiation. Sluggish precipitation reactions including precipitation coarsening are accelerated by irradiation-enhanced diffusion. Radiation-induced segregation redistributes existing precipitate phases within the microstructure, induces precipitation of nonequilibrium phases and affects the composition of phases in multicomponent alloys. The displacement process causes disordering of ordered alloys and frequently amorphization, especially in intermetallic compounds, at low temperature. Although a good qualitative understanding of the basic process involved, i.e., displacement mixing, radiation-enhanced diffusion and radiation-induced segregation exists, methods for detailed quantitative modeling of the evolution of the microstructure of alloys remain to be developed

  14. Non-equilibrium synthesis of alloys using lasers

    International Nuclear Information System (INIS)

    Mazumder, J.; Choi, J.; Ribaudo, C.; Wang, A.; Kar, A.

    1993-01-01

    This paper discusses microstructure and properties of alloys, produced by laser alloying and cladding technique, for various applications. These include Fe-Cr-W-C alloys for wear resistance, Ni-Cr-Al-Hf alloys for high temperature oxidation resistance and Mg-Al alloys for corrosion resistance. Also a mathematical model will be presented for the prediction of the composition of the metastable phases produced by laser synthesis. Microstructure was characterized using various electron optical techniques such as Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Auger Electron Spectroscopy (AES) and Energy Dispersive X-Ray Analysis (EDAX). Wear properties were characterized by a line contact Block on Cylinder method. High temperature oxidation properties were characterized by using Perkin-Elmer Thermo-Gravimetric Analyzer (TGA) where dynamic weight change were monitored at 1,200 C. Corrosion properties were evaluated by a potentio-dynamic method using a computer controlled Potentiostat manufactured by EG ampersand G. A non-equilibrium M 6 C type carbide was found to be responsible for the improved wear resistance. Increased solid-solubility of Hf was found to be a major factor in improving the high temperature oxidation resistance of the Ni-Cr-Al-Hf alloys. Micro-Crystalline phases were observed in Mg-Al alloys. The rapid solidification was modeled using heat transfer in the liquid pool and the solid substrate and mass transfer in the liquid pool. Non-equilibrium partition coefficient was introduced through the boundary condition at the liquid-solid interface. A good correlation was observed between the prediction and the experimental data. 54 refs

  15. Non-equilibrium phonon generation and detection in microstructure devices

    KAUST Repository

    Hertzberg, J. B.; Otelaja, O. O.; Yoshida, N. J.; Robinson, R. D.

    2011-01-01

    We demonstrate a method to excite locally a controllable, non-thermal distribution of acoustic phonon modes ranging from 0 to ∼200 GHz in a silicon microstructure, by decay of excited quasiparticle states in an attached superconducting tunnel

  16. Microstructure of rapidly solidified materials

    Science.gov (United States)

    Jones, H.

    1984-07-01

    The basic features of rapidly solidified microstructures are described and differences arising from alternative processing strategies are discussed. The possibility of achieving substantial undercooling prior to solidification in processes such as quench atomization and chill block melt spinning can give rise to striking microstructural transitions even when external heat extraction is nominally Newtonian. The increased opportunity in laser and electron beam surface melting for epitaxial growth on the parent solid at an accelerating rate, however, does not exclude the formation of nonequilibrium phases since the required undercooling can be locally attained at the solidification front which is itself advancing at a sufficiently high velocity. The effects of fluid flow indicated particularly in melt spinning and surface melting are additional to the transformational and heat flow considerations that form the present basis for interpretation of such microstructural effects.

  17. Microstructure of irradiated materials

    International Nuclear Information System (INIS)

    Robertson, I.M.

    1995-01-01

    The focus of the symposium was on the changes produced in the microstructure of metals, ceramics, and semiconductors by irradiation with energetic particles. the symposium brought together those working in the different material systems, which revealed that there are a remarkable number of similarities in the irradiation-produced microstructures in the different classes of materials. Experimental, computational and theoretical contributions were intermixed in all of the sessions. This provided an opportunity for these groups, which should interact, to do so. Separate abstracts were prepared for 58 papers in this book

  18. Effect of the microstructure on electrical properties of high-purity germanium

    Science.gov (United States)

    Podkopaev, O. I.; Shimanskii, A. F.; Molotkovskaya, N. O.; Kulakovskaya, T. V.

    2013-05-01

    The interrelation between the electrical properties and the microstructure of high-purity germanium crystals has been revealed. The electrical conductivity of polycrystalline samples increases and the life-time of nonequilibrium charge carriers in them decreases with a decrease in the crystallite sizes.

  19. Sensitivity Characterization of Pressed Energetic Materials using Flyer Plate Mesoscale Simulations

    Science.gov (United States)

    Rai, Nirmal; Udaykumar, H. S.

    Heterogeneous energetic materials like pressed explosives have complicated microstructure and contain various forms of heterogeneities such as pores, micro-cracks, energetic crystals etc. It is widely accepted that the presence of these heterogeneities can affect the sensitivity of these materials under shock load. The interaction of shock load with the microstructural heterogeneities may leads to the formation of local heated regions known as ``hot spots''. Chemical reaction may trigger at the hot spot regions depending on the hot spot temperature and the duration over which the temperature can be maintained before phenomenon like heat conduction, rarefaction waves withdraws energy from it. There are different mechanisms which can lead to the formation of hot spots including void collapse. The current work is focused towards the sensitivity characterization of two HMX based pressed energetic materials using flyer plate mesoscale simulations. The aim of the current work is to develop mesoscale numerical framework which can perform simulations by replicating the laboratory based flyer plate experiments. The current numerical framework uses an image processing approach to represent the microstructural heterogeneities incorporated in a massively parallel Eulerian code SCIMITAR3D. The chemical decomposition of HMX is modeled using Henson-Smilowitz reaction mechanism. The sensitivity characterization is aimed towards obtaining James initiation threshold curve and comparing it with the experimental results.

  20. MICROSTRUCTURE OF THE HELIOSPHERIC TERMINATION SHOCK: IMPLICATIONS FOR ENERGETIC NEUTRAL ATOM OBSERVATIONS

    International Nuclear Information System (INIS)

    Zank, G. P.; Heerikhuisen, J.; Pogorelov, N. V.; Burrows, R.; McComas, D.

    2010-01-01

    The Voyager 2 plasma observations of the proton distribution function downstream of the quasi-perpendicular heliospheric termination shock (TS) showed that upstream thermal solar wind ions played little role in the shock dissipation mechanism, being essentially transmitted directly through the shock. Instead, the hot supra-thermal pickup ion (PUI) component is most likely responsible for the dissipation at the TS. Consequently, the downstream proton distribution function will be a complicated superposition of relatively cool thermal solar wind protons and hot PUIs that have experienced either direct transmission or reflection at the TS cross-shock potential. We develop a simple model for the TS microstructure that allows us to construct approximate proton distribution functions for the inner heliosheath. The distribution function models are compared to κ-distributions, showing the correspondence between the two. Since the interpretation of energetic neutral atom (ENA) fluxes measured at 1 AU by IBEX will depend sensitively on the form of the underlying proton distribution function, we use a three-dimensional MHD-kinetic global model to model ENA spectra at 1 AU and ENA skymaps across the IBEX energy range. We consider both solar minimum and solar maximum-like global models, showing how ENA skymap structure can be related to global heliospheric structure. We suggest that the ENA spectra may allow us to probe the directly the microphysics of the TS, while the ENA skymaps reveal heliospheric structure and, at certain energies, are distinctly different during solar minimum and maximum.

  1. Microstructure evolution and hardness change in ordered Ni3V intermetallic alloy by energetic ion irradiation

    International Nuclear Information System (INIS)

    Hashimoto, A.; Kaneno, Y.; Semboshi, S.; Yoshizaki, H.; Saitoh, Y.; Okamoto, Y.; Iwase, A.

    2014-01-01

    Ni 3 V bulk intermetallic compounds with ordered D0 22 structure were irradiated with 16 MeV Au ions at room temperature. The irradiation induced phase transformation was examined by means of the transmission electron microscope (TEM), the extended X-ray absorption fine structure measurement (EXAFS) and the X-ray diffraction (XRD). We also measured the Vickers hardness for unirradiated and irradiated specimens. The TEM observation shows that by the Au irradiation, the lamellar microstructures and the super lattice spot in diffraction pattern for the unirradiated specimen disappeared. This TEM result as well as the result of XRD and EXAFS measurements means that the intrinsic D0 22 structure of Ni 3 V changes into the A1 (fcc) structure which is the lattice structure just below the melting point in the thermal equilibrium phase diagram. The lattice structure change from D0 22 to A1 (fcc) accompanies a remarkable decrease in Vickers microhardness. The change in crystal structure was discussed in terms of the thermal spike and the sequential atomic displacements induced by the energetic heavy ion irradiation

  2. Influence of processing variations on microstructure and properties in Fe/Co/2--3%V alloys

    International Nuclear Information System (INIS)

    Pinnel, M.R.; Bennett, J.E.

    1974-01-01

    A microstructural evaluation was used to provide the key to the understanding of the numerous phase changes which occur in this alloy and their influence on drawability and magnetic properties. Samples of two compositions (2.5 percent V and 3.0 percent V) were given the standard processing sequence used in the production of remanent reed electrical contacts with selected alterations in annealing temperatures at several stages. Microstructures were characterized following each step by light microscopy on lightly etched sections using differential interference contrast and were correlated with the appropriate ternary equilibrium diagram. Results indicate that the typical hot rolled (1200 0 C) and air cooled structure is composed of a nonequilibrium, vanadium supersaturated, bcc phase produced by a massive transformation during cooling and is also subject to an ordering transformation. The resultant microstructure is too brittle to be drawn into wire. This can be modified by more rapid cooling. However, the hot rolled and ice brine quenched structure which is more martensitic in character and a totally disordered, nonequilibrium, bcc phase provides only modest improvement in ductility. (U.S.)

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

    Directory of Open Access Journals (Sweden)

    Enrico Sciubba

    2017-11-01

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

  4. Non-equilibrium phonon generation and detection in microstructure devices

    KAUST Repository

    Hertzberg, J. B.

    2011-01-01

    We demonstrate a method to excite locally a controllable, non-thermal distribution of acoustic phonon modes ranging from 0 to ∼200 GHz in a silicon microstructure, by decay of excited quasiparticle states in an attached superconducting tunnel junction (STJ). The phonons transiting the structure ballistically are detected by a second STJ, allowing comparison of direct with indirect transport pathways. This method may be applied to study how different phonon modes contribute to the thermal conductivity of nanostructures. © 2011 American Institute of Physics.

  5. Production of light elements by cascades from energetic antiprotons in the early Universe and problem of nuclear cosmoarcheology

    International Nuclear Information System (INIS)

    Levitan, Yu.L.; Sobol', I.M.; Khlopov, M.Yu.; Chechetkin, V.M.

    1988-01-01

    The mathematical model of the process of light-element (D and 3 He) production due to disintegration of 4 He nuclei, induced by nonequilibrium processes of production of energetic antiprotons in the early Universe is suggested. Numerical calculations show that formation of the nucleon cascade induced by antiproton slowing down increases the D and 3 He yield due to the growth of probability of disintegration of several 4 He nuclei by a single antiproton and due to disintegration of such nuclei by cascade protons. Restraints on the concentration of possible sources of energetic antiprotons in the early Universe are strengthened respectively

  6. 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

  7. 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.

  8. Definition of Nonequilibrium Entropy of General Systems

    OpenAIRE

    Mei, Xiaochun

    1999-01-01

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

  9. 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.

  10. Nonequilibrium Phenomena in Plasmas

    CERN Document Server

    Sharma, A Surjalal

    2005-01-01

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

  11. Statistical mechanics of nonequilibrium liquids

    CERN Document Server

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

    1990-01-01

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

  12. Non-dissipative effects in nonequilibrium systems

    CERN Document Server

    Maes, Christian

    2018-01-01

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

  13. 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.

  14. The Effect of Simulated Thermomechanical Processing on the Transformation Behavior and Microstructure of a Low-Carbon Mo-Nb Linepipe Steel

    Science.gov (United States)

    Cizek, P.; Wynne, B. P.; Davies, C. H. J.; Hodgson, P. D.

    2015-01-01

    The present work investigates the transformation behavior of a low-carbon Mo-Nb linepipe steel and the corresponding transformation product microstructures using deformation dilatometry. The continuous cooling transformation (CCT) diagrams have been constructed for both the fully recrystallized austenite and that deformed in uniaxial compression at 1148 K (875 °C) to a strain of 0.5 for cooling rates ranging from 0.1 to about 100 K/s. The obtained microstructures have been studied in detail using electron backscattered diffraction complemented by transmission electron microscopy. Heavy deformation of the parent austenite has caused a significant expansion of the polygonal ferrite transformation field in the CCT diagram, as well as a shift in the non-equilibrium ferrite transformation fields toward higher cooling rates. Furthermore, the austenite deformation has resulted in a pronounced refinement in both the effective grain (sheaf/packet) size and substructure unit size of the non-equilibrium ferrite microstructures. The optimum microstructure expected to display an excellent balance between strength and toughness is a mix of quasi-polygonal ferrite and granular bainite (often termed "acicular ferrite") produced from the heavily deformed austenite within a processing window covering the cooling rates from about 10 to about 100 K/s.

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

    International Nuclear Information System (INIS)

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

    1976-01-01

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

  16. Role of Sink Density in Nonequilibrium Chemical Redistribution in Alloys

    Science.gov (United States)

    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.

  17. Non-equilibrium dynamics due to moving deflagration front at RDX/HTPB interface

    Science.gov (United States)

    Chaudhuri, Santanu; Joshi, Kaushik; Lacevic, Naida

    Reactive dissipative particle dynamics (DPD-RX), a promising tool in characterizing the sensitivity and performance of heterogeneous solid propellants like polymer bonded explosives (PSXs), requires further testing for non-equilibrium dynamics. It is important to understand detailed atomistic chemistry for developing coarse grain reactive models needed for the DPD-RX. In order to obtain insights into combustion chemistry of RDX/HTPB binder, we used reactive molecular dynamics (RMD) to obtain energy up-pumping and reaction mechanisms at RDX/HTPB interface when exposed to a self-sustaining deflagration front. Hot spots are ignited near and away from the heterogeneous interface using the thermal pulse. The results show that the hot spot near interface significantly delays the transition from ignition to deflagration. We will present the mechanical response and the combustion chemistry of HTPB when the propagating deflagration front hits the polymer binder. We will discuss our efforts to incorporate this RMD based chemistry into the DPD-RX which will enable us to perform such non-equilibrium dynamics simulations on large-length scale with microstructural heterogeneities. Funding from DTRA Grant Number HDTRA1-15-1-0034 is acknowledged.

  18. 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

  19. Aerospace Applications of Non-Equilibrium Plasma

    Science.gov (United States)

    Blankson, Isaiah M.

    2016-01-01

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

  20. Nonequilibrium statistical physics

    CERN Document Server

    Röpke, Gerd

    2013-01-01

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

  1. Fusion zone microstructure of laser beam welded directionally solidified Ni3Al-base alloy IC6

    International Nuclear Information System (INIS)

    Ding, R.G.; Ojo, O.A.; Chaturvedi, M.C.

    2006-01-01

    The fusion zone microstructure of laser welded alloy IC6 was examined. Extensive weld-metal cracking was observed to be closely associated with non-equilibrium eutectic-type microconstituents identified as consisting of γ, γ' and NiMo (Y) phases. Their formation has been related to modification of primary solidification path due to reduced solutal microsegregation

  2. 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

  3. Nanostructured energetic materials derived from sol-gel chemistry

    International Nuclear Information System (INIS)

    Simpson, R L; Tillotson, T M; Hrubesh, L W; Gash, A E

    2000-01-01

    Initiation and detonation properties are dramatically affected by an energetic material's microstructural properties. Sol-gel chemistry allows intimacy of mixing to be controlled and dramatically improved over existing methodologies. One material goal is to create very high power energetic materials which also have high energy densities. Using sol-gel chemistry we have made a nanostructured composite energetic material. Here a solid skeleton of fuel, based on resorcinol-formaldehyde, has nanocrystalline ammonium perchlorate, the oxidizer, trapped within its pores. At optimum stoichiometry it has approximately the energy density of HMX. Transmission electron microscopy indicated no ammonium perchlorate crystallites larger than 20 nm while near-edge soft x-ray absorption microscopy showed that nitrogen was uniformly distributed, at least on the scale of less than 80 nm. Small-angle neutron scattering studies were conducted on the material. Those results were consistent with historical ones for this class of nanostructured materials. The average skeletal primary particle size was on the order of 2.7 nm, while the nanocomposite showed the growth of small 1 nm size crystals of ammonium perchlorate with some clustering to form particles greater than 10 nm

  4. Non-equilibrium supramolecular polymerization.

    Science.gov (United States)

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

    2017-09-18

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

  5. 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.)

  6. Nonequilibrium Statistical Operator Method and Generalized Kinetic Equations

    Science.gov (United States)

    Kuzemsky, A. L.

    2018-01-01

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

  7. Shock interactions with heterogeneous energetic materials

    Science.gov (United States)

    Yarrington, Cole D.; Wixom, Ryan R.; Damm, David L.

    2018-03-01

    The complex physical phenomenon of shock wave interaction with material heterogeneities has significant importance and nevertheless remains little understood. In many materials, the observed macroscale response to shock loading is governed by characteristics of the microstructure. Yet, the majority of computational studies aimed at predicting phenomena affected by these processes, such as the initiation and propagation of detonation waves in explosives or shock propagation in geological materials, employ continuum material and reactive burn model treatment. In an effort to highlight the grain-scale processes that underlie the observable effects in an energetic system, a grain-scale model for hexanitrostilbene (HNS) has been developed. The measured microstructures were used to produce synthetic computational representations of the pore structure, and a density functional theory molecular dynamics derived equation of state (EOS) was used for the fully dense HNS matrix. The explicit inclusion of the microstructure along with a fully dense EOS resulted in close agreement with historical shock compression experiments. More recent experiments on the dynamic reaction threshold were also reproduced by inclusion of a global kinetics model. The complete model was shown to reproduce accurately the expected response of this heterogeneous material to shock loading. Mesoscale simulations were shown to provide a clear insight into the nature of threshold behavior and are a way to understand complex physical phenomena.

  8. Fabrication, microstructure and stress effects in sputtered TiNi thin films

    International Nuclear Information System (INIS)

    Grummon, D.S.

    2000-01-01

    Sputtered thin films of equiatomic TiNi and TiNiX ternary alloys have excellent mechanical properties and exhibit robust shape-memory and transformational superelasticity. Furthermore, the energetic nature of the sputter deposition process allows the creation of highly refined microstructures that are difficult to achieve by melt-solidification. The present paper will present recent work on the relationship between processing, microstructure and properties of binary TiNi thin films, focusing primarily on residual stresses, kinetics of stress-relaxation and crystallization, and fine grain sizes achievable using hot-substrate direct crystallization. (orig.)

  9. Non-equilibrium dynamics from RPMD and CMD.

    Science.gov (United States)

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

    2016-11-28

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

  10. Non-equilibrium dog-flea model

    Science.gov (United States)

    Ackerson, Bruce J.

    2017-11-01

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

  11. Non-equilibrium phase transitions

    CERN Document Server

    Henkel, Malte; Lübeck, Sven

    2009-01-01

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

  12. Thermal and microstructural analysis of alloys of Al-Mg-Li system

    International Nuclear Information System (INIS)

    Ovsyannikov, B.V.; Zamaytin, V.M.; Smirnov, V.L.; Mushnikov, V.S.

    2008-01-01

    By means of the thermal analysis one investigated into melting and solidification of Al-Mg-Li system 1420, 1421 and 1424 aluminum-lithium alloys. One determined the temperature values of the nonequilibrium and the equilibrium solidus, the initiation of the liquidus linear shrinkage of the listed alloys. Making use of a scanning electron microscope with a microanalyser unit one studied the microstructure of the alloys and determined the local chemical composition of the phases unsoluble under homogenization of ingots along the aluminum matrix grain boundaries [ru

  13. 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.

  14. Non-equilibrium synergistic effects in atmospheric pressure plasmas.

    Science.gov (United States)

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

    2018-03-19

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

  15. Non-Extensive Statistical Analysis of Solar Wind Electric, Magnetic Fields and Solar Energetic Particle time series.

    Science.gov (United States)

    Pavlos, G. P.; Malandraki, O.; Khabarova, O.; Livadiotis, G.; Pavlos, E.; Karakatsanis, L. P.; Iliopoulos, A. C.; Parisis, K.

    2017-12-01

    In this work we study the non-extensivity of Solar Wind space plasma by using electric-magnetic field data obtained by in situ spacecraft observations at different dynamical states of solar wind system especially in interplanetary coronal mass ejections (ICMEs), Interplanetary shocks, magnetic islands, or near the Earth Bow shock. Especially, we study the energetic particle non extensive fractional acceleration mechanism producing kappa distributions as well as the intermittent turbulence mechanism producing multifractal structures related with the Tsallis q-entropy principle. We present some new and significant results concerning the dynamics of ICMEs observed in the near Earth at L1 solar wind environment, as well as its effect in Earth's magnetosphere as well as magnetic islands. In-situ measurements of energetic particles at L1 are analyzed, in response to major solar eruptive events at the Sun (intense flares, fast CMEs). The statistical characteristics are obtained and compared for the Solar Energetic Particles (SEPs) originating at the Sun, the energetic particle enhancements associated with local acceleration during the CME-driven shock passage over the spacecraft (Energetic Particle Enhancements, ESPs) as well as the energetic particle signatures observed during the passage of the ICME. The results are referred to Tsallis non-extensive statistics and in particular to the estimation of Tsallis q-triplet, (qstat, qsen, qrel) of electric-magnetic field and the kappa distributions of solar energetic particles time series of the ICME, magnetic islands, resulting from the solar eruptive activity or the internal Solar Wind dynamics. Our results reveal significant differences in statistical and dynamical features, indicating important variations of the magnetic field dynamics both in time and space domains during the shock event, in terms of rate of entropy production, relaxation dynamics and non-equilibrium meta-stable stationary states.

  16. Nucleation and microstructure development in Cr-Mo-V tool steel during gas atomization

    Science.gov (United States)

    Behúlová, M.; Grgač, P.; Čička, R.

    2017-11-01

    Nucleation studies of undercooled metallic melts are of essential interest for the understanding of phase selection, growth kinetics and microstructure development during their rapid non-equilibrium solidification. The paper deals with the modelling of nucleation processes and microstructure development in the hypoeutectic tool steel Ch12MF4 with the chemical composition of 2.37% C, 12.06 % Cr, 1.2% Mo, 4.0% V and balance Fe [wt. %] in the process of nitrogen gas atomization. Based on the classical theory of homogeneous nucleation, the nucleation temperature of molten rapidly cooled spherical particles from this alloy with diameter from 40 μm to 600 μm in the gas atomization process is calculated using various estimations of parameters influencing the nucleation process - the Gibbs free energy difference between solid and liquid phases and the solid/liquid interfacial energy. Results of numerical calculations are compared with experimentally measured nucleation temperatures during levitation experiments and microstructures developed in rapidly solidified powder particles from the investigated alloy.

  17. 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....

  18. Link prediction based on nonequilibrium cooperation effect

    Science.gov (United States)

    Li, Lanxi; Zhu, Xuzhen; Tian, Hui

    2018-04-01

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

  19. 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

  20. Characterization of nonequilibrium states of trapped Bose–Einstein condensates

    Science.gov (United States)

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

    2018-06-01

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

  1. Application of the thermodynamic extremal principle to phase-field modeling of non-equilibrium solidification in multi-component alloys

    International Nuclear Information System (INIS)

    Zhang, Xiao; Wang, Haifeng; Kuang, Wangwang; Zhang, Jianbao

    2017-01-01

    Modeling of non-equilibrium solidification in multi-component alloys is of singular importance in microstructure control, which however owing to the complex systems with complex additional constraints is still an open problem. In this work, the thermodynamic extremal principle was applied to solve the complex additional constraints self-consistently in thermodynamics. Consequently, short-range solute redistribution and long-range solute diffusion that share the same mobility are integrated naturally into the solute diffusion equations, thus avoiding the introduction of additional kinetic coefficients (e.g. interface permeability) to describe solute redistribution. Application to the non-equilibrium solidification of Al-Si-Cu alloys shows that anomalous solute trapping and anomalous solute profiles within the diffuse interface could occur, thus highlighting the important effect of the interaction among the component elements on the interface kinetics. The current phase-field model might be preferred for simulations not only because of its simplest form of evolution equations but also its feasibility to increase the simulation efficiency by the “thin interface limit” analysis.

  2. Foundations of atmospheric pressure non-equilibrium plasmas

    Science.gov (United States)

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

    2017-12-01

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

  3. Dual-sided microstructured semiconductor neutron detectors (DSMSNDs)

    International Nuclear Information System (INIS)

    Fronk, Ryan G.; Bellinger, Steven L.; Henson, Luke C.; Ochs, Taylor R.; Smith, Colten T.; Kenneth Shultis, J.; McGregor, Douglas S.

    2015-01-01

    Microstructured semiconductor neutron detectors (MSNDs) have in recent years received much interest as high-efficiency replacements for thin-film-coated thermal neutron detectors. The basic device structure of the MSND involves micro-sized trenches that are etched into a vertically-oriented pvn-junction diode that are backfilled with a neutron converting material. Neutrons absorbed within the converting material induce fission of the parent nucleus, producing a pair of energetic charged-particle reaction products that can be counted by the diode. The MSND deep-etched microstructures produce good neutron-absorption and reaction-product counting efficiencies, offering a 10× improvement in intrinsic thermal neutron detection efficiency over thin-film-coated devices. Performance of present-day MSNDs are nearing theoretical limits; streaming paths between the conversion-material backfilled trenches, allow a considerable fraction of neutrons to pass undetected through the device. Dual-sided microstructured semiconductor neutron detectors (DSMSNDs) have been developed that utilize a complementary second set of trenches on the back-side of the device to count streaming neutrons. DSMSND devices are theoretically capable of greater than 80% intrinsic thermal neutron detection efficiency for a 1-mm thick device. The first such prototype DSMSNDs, presented here, have achieved 29.48±0.29% nearly 2× better than MSNDs with similar microstructure dimensions.

  4. Nonequilibrium synthesis of NbAl3 and Nb-Al-V alloys by laser cladding. I - Microstructure evolution

    Science.gov (United States)

    Sircar, S.; Chattopadhyay, K.; Mazumder, J.

    1992-01-01

    The evolution of the microstructure in NbAl3 synthesized by a laser cladding technique (a rapid solidification process, with cooling rates up to 10 exp 6 C/sec) is investigated, and the phases are identified using convergent beam electron diffraction. Two new metastable phases were identified and characterized in detail. The effect of adding V on the final microstructure was also investigated, and the various phase chemistries and the partitioning of different elements into different phases were studied.

  5. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    Science.gov (United States)

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

    2016-03-01

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

  6. Fluctuations When Driving Between Nonequilibrium Steady States

    Science.gov (United 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.

  7. 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

  8. A phase-field model for non-equilibrium solidification of intermetallics

    International Nuclear Information System (INIS)

    Assadi, H.

    2007-01-01

    Intermetallics may exhibit unique solidification behaviour-including slow growth kinetics, anomalous partitioning and formation of unusual growth morphologies-because of departure from local equilibrium. A phase-field model is developed and used to illustrate these non-equilibrium effects in solidification of a prototype B2 intermetallic phase. The model takes sublattice compositions as primary field variables, from which chemical long-range order is derived. The diffusive reactions between the two sublattices, and those between each sublattice and the liquid phase are taken as 'internal' kinetic processes, which take place within control volumes of the system. The model can thus capture solute and disorder trapping effects, which are consistent-over a wide range of the solid/liquid interface thickness-with the predictions of the sharp-interface theory of solute and disorder trapping. The present model can also take account of solid-state ordering and thus illustrate the effects of chemical ordering on microstructure formation and crystal growth kinetics

  9. 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.

  10. 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

  11. Nonequilibrium statistical physics a modern perspective

    CERN Document Server

    Livi, Roberto

    2017-01-01

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

  12. The influence of non-equilibrium fluctuations on radiation damage and recovery of metals under irradiation

    International Nuclear Information System (INIS)

    Dubinko, V.I.; Klepikov, V.F.

    2007-01-01

    In the conventional theory of radiation damage, it is assumed that the main effect of irradiation is due to formation of Frenkel pairs of vacancies and self-interstitial atoms (SIAs) and their clusters. The difference in absorption of vacancies and SIAs by primary or radiation-induced extended defects (EDs) is thought to be the main reason of microstructural evolution under irradiation. On the other hand, the recovery of radiation damage is thought to be driven exclusively by thermal fluctuations resulting in the vacancy evaporation from voids (void annealing) or dislocations (thermal creep) and in the fluctuation-driven overcoming of obstacles by gliding dislocations (plastic strain). However, these recovery mechanisms can be efficient only at sufficiently high temperatures. At lower irradiation temperatures, the main driving force of the recovery processes may be due to nonequilibrium fluctuations of energy states of the atoms surrounding EDs arising as a result of scattering of radiation-induced excitations of atomic and electronic structure at EDs. In the present paper, the mechanisms of nonequilibrium fluctuations that result in such phenomena as the void shrinkage under irradiation at low temperatures (or high dose rates), irradiation creep and irradiation-induced increase of plasticity under sub-threshold irradiation was considered

  13. 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)

  14. A constitutive rheological model for agglomerating blood derived from nonequilibrium thermodynamics

    Science.gov (United States)

    Tsimouri, Ioanna Ch.; Stephanou, Pavlos S.; Mavrantzas, Vlasis G.

    2018-03-01

    Red blood cells tend to aggregate in the presence of plasma proteins, forming structures known as rouleaux. Here, we derive a constitutive rheological model for human blood which accounts for the formation and dissociation of rouleaux using the generalized bracket formulation of nonequilibrium thermodynamics. Similar to the model derived by Owens and co-workers ["A non-homogeneous constitutive model for human blood. Part 1. Model derivation and steady flow," J. Fluid Mech. 617, 327-354 (2008)] through polymer network theory, each rouleau in our model is represented as a dumbbell; the corresponding structural variable is the conformation tensor of the dumbbell. The kinetics of rouleau formation and dissociation is treated as in the work of Germann et al. ["Nonequilibrium thermodynamic modeling of the structure and rheology of concentrated wormlike micellar solutions," J. Non-Newton. Fluid Mech. 196, 51-57 (2013)] by assuming a set of reversible reactions, each characterized by a forward and a reverse rate constant. The final set of evolution equations for the microstructure of each rouleau and the expression for the stress tensor turn out to be very similar to those of Owens and co-workers. However, by explicitly considering a mechanism for the formation and breakage of rouleaux, our model further provides expressions for the aggregation and disaggregation rates appearing in the final transport equations, which in the kinetic theory-based network model of Owens were absent and had to be specified separately. Despite this, the two models are found to provide similar descriptions of experimental data on the size distribution of rouleaux.

  15. Microstructure and strain rate effects on the mechanical behavior of particle reinforced epoxy-based reactive materials

    Science.gov (United States)

    White, Bradley William

    The effects of reactive metal particles on the microstructure and mechanical properties of epoxy-based composites is investigated in this work. Particle reinforced polymer composites show promise as structural energetic materials that can provide structural strength while simultaneously being capable of releasing large amounts of chemical energy through highly exothermic reactions occurring between the particles and with the matrix. This advanced class of materials is advantageous due to the decreased amount of high density inert casings needed for typical energetic materials and for their ability to increase payload expectancy and decrease collateral damage. Structural energetic materials can be comprised of reactive particles that undergo thermite or intermetallic reactions. In this work nickel (Ni) and aluminum (Al) particles were chosen as reinforcing constituents due to their well characterized mechanical and energetic properties. Although, the reactivity of nickel and aluminum is well characterized, the effects of their particle size, volume fractions, and spatial distribution on the mechanical behavior of the epoxy matrix and composite, across a large range of strain rates, are not well understood. To examine these effects castings of epoxy reinforced with 20--40 vol.% Al and 0--10 vol.% Ni were prepared, while varying the aluminum nominal particle size from 5 to 50 mum and holding the nickel nominal particle size constant at 50 mum. Through these variations eight composite materials were produced, possessing unique microstructures exhibiting different particle spatial distributions and constituent makeup. In order to correlate the microstructure to the constitutive response of the composites, techniques such as nearest-neighbor distances, and multiscale analysis of area fractions (MSAAF) were used to quantitatively characterize the microstructures. The composites were investigated under quasi-static and dynamic compressive loading conditions to characterize

  16. On energetics of hydrocarbon chemical reactions by ionizing irradiation

    International Nuclear Information System (INIS)

    Zaykin, Yu.A.; Zaykina, R.F.; Mirkin, G.

    2002-01-01

    Complete text of publication follows. The present global energy crisis requires the industry to look for technologies that are more effective and, particularly, less energy consuming. The hydrocarbon processing technology based on the electron radiation-induced thermal chemical conversion has a great potential. Comparing the presently predominant thermocatalytic processing, it is much more energy efficient, because chemical conversions go at a minimal processing temperature and pressure. To compare energy consumption by electron irradiation with thermal and thermocatalytic technologies of hydrocarbon processing one must see major differences between them. While traditional thermocatalytic processes are equilibrium and their energetics can be evaluated based on principles of classic thermodynamics, HEET processing is non-equilibrium and this evaluation approach is not valid for it. However, a theoretical description of radiation-chemical conversion using reaction rate constants determined in thermally equilibrium systems is approximately adequate to radiation processes by substituting equilibrium concentrations of reacting particles as their non-equilibrium concentrations under irradiation. In particular, description of radical reactions initiated by radiation requires substitution of thermally equilibrium radical concentration by much higher concentration defined by the dynamic equilibrium of radical radiation generation and their recombination. The paper presents the comparative analysis of energy consumption in different stages of hydrocarbon processing using classic thermal cracking by heating versus radiation induced cracking. It is shown that in the most energy-consuming stage of processing - the chain reaction initiation necessary for concentration of active radicals, irradiation processing has the great advantage compared to thermal cracking by heating and allows cutting down the total energy consumption by approximately 40%

  17. Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.

    Science.gov (United States)

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

    2017-09-25

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

  18. 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....

  19. Energetics in a model of prebiotic evolution

    Science.gov (United States)

    Intoy, B. F.; Halley, J. W.

    2017-12-01

    Previously we reported [A. Wynveen et al., Phys. Rev. E 89, 022725 (2014), 10.1103/PhysRevE.89.022725] that requiring that the systems regarded as lifelike be out of chemical equilibrium in a model of abstracted polymers undergoing ligation and scission first introduced by Kauffman [S. A. Kauffman, The Origins of Order (Oxford University Press, New York, 1993), Chap. 7] implied that lifelike systems were most probable when the reaction network was sparse. The model was entirely statistical and took no account of the bond energies or other energetic constraints. Here we report results of an extension of the model to include effects of a finite bonding energy in the model. We studied two conditions: (1) A food set is continuously replenished and the total polymer population is constrained but the system is otherwise isolated and (2) in addition to the constraints in (1) the system is in contact with a finite-temperature heat bath. In each case, detailed balance in the dynamics is guaranteed during the computations by continuous recomputation of a temperature [in case (1)] and of the chemical potential (in both cases) toward which the system is driven by the dynamics. In the isolated case, the probability of reaching a metastable nonequilibrium state in this model depends significantly on the composition of the food set, and the nonequilibrium states satisfying lifelike condition turn out to be at energies and particle numbers consistent with an equilibrium state at high negative temperature. As a function of the sparseness of the reaction network, the lifelike probability is nonmonotonic, as in our previous model, but the maximum probability occurs when the network is less sparse. In the case of contact with a thermal bath at a positive ambient temperature, we identify two types of metastable nonequilibrium states, termed locally and thermally alive, and locally dead and thermally alive, and evaluate their likelihood of appearance, finding maxima at an optimal

  20. Non-Equilibrium Thermodynamics in Multiphase Flows

    CERN Document Server

    Mauri, Roberto

    2013-01-01

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

  1. Nonequilibrium thermodynamics of restricted Boltzmann machines

    Science.gov (United States)

    Salazar, Domingos S. P.

    2017-08-01

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

  2. Nonequilibrium thermodynamics of restricted Boltzmann machines.

    Science.gov (United States)

    Salazar, Domingos S P

    2017-08-01

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

  3. Energetics of glucose metabolism: a phenomenological approach to metabolic network modeling.

    Science.gov (United States)

    Diederichs, Frank

    2010-08-12

    A new formalism to describe metabolic fluxes as well as membrane transport processes was developed. The new flux equations are comparable to other phenomenological laws. Michaelis-Menten like expressions, as well as flux equations of nonequilibrium thermodynamics, can be regarded as special cases of these new equations. For metabolic network modeling, variable conductances and driving forces are required to enable pathway control and to allow a rapid response to perturbations. When applied to oxidative phosphorylation, results of simulations show that whole oxidative phosphorylation cannot be described as a two-flux-system according to nonequilibrium thermodynamics, although all coupled reactions per se fulfill the equations of this theory. Simulations show that activation of ATP-coupled load reactions plus glucose oxidation is brought about by an increase of only two different conductances: a [Ca(2+)] dependent increase of cytosolic load conductances, and an increase of phosphofructokinase conductance by [AMP], which in turn becomes increased through [ADP] generation by those load reactions. In ventricular myocytes, this feedback mechanism is sufficient to increase cellular power output and O(2) consumption several fold, without any appreciable impairment of energetic parameters. Glucose oxidation proceeds near maximal power output, since transformed input and output conductances are nearly equal, yielding an efficiency of about 0.5. This conductance matching is fulfilled also by glucose oxidation of β-cells. But, as a price for the metabolic mechanism of glucose recognition, β-cells have only a limited capability to increase their power output.

  4. Phase transitions and steady-state microstructures in a two-temperature lattice-gas model with mobile active impurities

    DEFF Research Database (Denmark)

    Henriksen, Jonas Rosager; Sabra, Mads Christian; Mouritsen, Ole G.

    2000-01-01

    The nonequilibrium, steady-state phase transitions and the structure of the different phases of a two-dimensional system with two thermodynamic temperatures are studied via a simple lattice-gas model with mobile active impurities ("hot/cold spots'') whose activity is controlled by an external drive...... on the temperatures, microstructured phases of both lamellar and droplet symmetry arise, described by a length scale that is determined by the characteristic temperature controlling the diffusive motion of the active impurities....

  5. 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

  6. 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.

  7. Enhancing Reactivity in Structural Energetic Materials

    Science.gov (United States)

    Glumac, Nick

    2017-06-01

    In many structural energetic materials, only a small fraction of the metal oxidizes, and yet this provides a significant boost in the overall energy release of the system. Different methodologies to enhance this reactivity include alloying and geometric modifications of microstructure of the reactive material (RM). In this presentation, we present the results of several years of systematic study of both chemical (alloy) and mechanical (geometry) effects on reactivity for systems with typical charge to case mass ratios. Alloys of aluminum with magnesium and lithium are considered, as these are common alloys in aerospace applications. In terms of geometric modifications, we consider surface texturing, inclusion of dense additives, and inclusion of voids. In all modifications, a measurable influence on output is observed, and this influence is related to the fragment size distribution measured from the observed residue. Support from DTRA is gratefully acknowledged.

  8. 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....

  9. Energetic Systems

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetic Systems Division provides full-spectrum energetic engineering services (project management, design, analysis, production support, in-service support,...

  10. 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.

  11. 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...

  12. 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...

  13. Nonequilibrium molecular dynamics theory, algorithms and applications

    CERN Document Server

    Todd, Billy D

    2017-01-01

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

  14. 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)

  15. Dynamics of multiphase systems with complex microstructure. I. Development of the governing equations through nonequilibrium thermodynamics

    NARCIS (Netherlands)

    Sagis, L.M.C.; Öttinger, H.C.

    2013-01-01

    In this paper we present a general model for the dynamic behavior of multiphase systems in which the bulk phases and interfaces have a complex microstructure (for example, immiscible polymer blends with added compatibilizers, or polymer stabilized emulsions with thickening agents dispersed in the

  16. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

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

    2014-01-01

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

  17. Grain Nucleation and Growth in Deformed NiTi Shape Memory Alloys: An In Situ TEM Study

    Science.gov (United States)

    Burow, J.; Frenzel, J.; Somsen, C.; Prokofiev, E.; Valiev, R.; Eggeler, G.

    2017-12-01

    The present study investigates the evolution of nanocrystalline (NC) and ultrafine-grained (UFG) microstructures in plastically deformed NiTi. Two deformed NiTi alloys were subjected to in situ annealing in a transmission electron microscope (TEM) at 400 and 550 °C: an amorphous material state produced by high-pressure torsion (HPT) and a mostly martensitic partly amorphous alloy produced by wire drawing. In situ annealing experiments were performed to characterize the microstructural evolution from the initial nonequilibrium states toward energetically more favorable microstructures. In general, the formation and evolution of nanocrystalline microstructures are governed by the nucleation of new grains and their subsequent growth. Austenite nuclei which form in HPT and wire-drawn microstructures have sizes close to 10 nm. Grain coarsening occurs in a sporadic, nonuniform manner and depends on the physical and chemical features of the local environment. The mobility of grain boundaries in NiTi is governed by the local interaction of each grain with its microstructural environment. Nanograin growth in thin TEM foils seems to follow similar kinetic laws to those in bulk microstructures. The present study demonstrates the strength of in situ TEM analysis and also highlights aspects which need to be considered when interpreting the results.

  18. TIG welding of 22-05 duplex stainless steels (Uranus 45 N and Avesta). Microstructural studies and mechanical properties

    International Nuclear Information System (INIS)

    Gomez de Salazar, J.M.; Urena, A.; Cobollo, M.; Barranco, V.; Alvarez, M.J.

    1998-01-01

    TIG welding of two different duplex stainless steels is carried out. Are-discharge on base-material plates by means of the TIG technique without filler metal and varying the energetic conditions (E.N.A.) has been performed. A comparative study concerning the microstructural evolution as well as mechanical properties is carried out. The relation between hardness profiles, the microstructural variations and the ferrite δ concentration is established. Further, the above mentioned properties are related to the E.N.A. for each welded joint. (Author) 8 refs

  19. 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

  20. Microstructure of Welded Joints of X5CrNiCuNb16-4 (17-4 PH Martensitic Stainlees Steel After Heat Treatment

    Directory of Open Access Journals (Sweden)

    Ziewiec A.

    2014-10-01

    Full Text Available The paper presents rezults of microstructure (LM, TEM investigation and hardness measurments of welded joints in martensitic precipitation hardened stainless steel containing copper, subjected to heat treatment. For the aging temperature up to 540 °C even for the very long times, the microstructure of the welded joints is similar to this one at lower temerature aging. After aging at 620 °C a distinct change of the microstructure was observed. Non-equilibrium solidification conditions of the weld metal, segregation and the diffusion of copper and the elements stablilizing the austenite cause the occurrence of the reverse transformation of the martensite into austenite as fast as just 1 hour at 620 °C. TEM investigations revealed the differences in dispersion of hardening copper precipitates after aging at temperature 620 °C for 1 and 4 hours.

  1. Quantum thermodynamics: a nonequilibrium Green's function approach.

    Science.gov (United States)

    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.

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

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

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

  3. Nonequilibrium statistical mechanics ensemble method

    CERN Document Server

    Eu, Byung Chan

    1998-01-01

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

  4. Nonlinear and Nonequilibrium Spin Injection in Magnetic Tunneling Junctions

    Science.gov (United States)

    Guo, Hong

    2007-03-01

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

  5. New theory for competing interactions and microstructures in partially-ordered (liquid-crystalline) phases

    International Nuclear Information System (INIS)

    Dowell, F.

    1987-01-01

    A summary of results from a unique statistical-physics theory to predict and explain competing interactions and resulting microstructures in some partially-ordered [in this case, liquid-crystalline (LC)] phases is presented. The static aspects of both partial orientational and partial positional ordering of the molecules into various microstructures in these phases (including the incommensurate smectic-Ad phase) can be understood in terms of various competing interactions (both entropic and energetic) involved in the packing together of the different molecular sub-units at given pressures and temperatures. These microstructures are predicted and explained (using no ad hoc or arbitrarily adjustable parameter) as a function of molecule chemical structure [including lengths and shapes (from bond lengths and angles), intramolecular rotations, site-site polarizabilities and pair potentials, dipole moments, etc]. Theoretical results are presented for the nematic, re-entrant nematic, smectic-Ad, and smectic-Al LC phases and the isotropic phase

  6. Nonequilibrium entropies

    International Nuclear Information System (INIS)

    Maes, Christian

    2012-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-10-09

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

  8. The Modeling of Coupled Electromagnetic-Thermo-Mechanical Laser Interactions and Microstructural Behavior of Energetic Aggregates

    Science.gov (United States)

    2015-01-01

    analytical Beer - Lambert absorption profile to model laser heating of pure energetic crystals without considering any EM wave propagation effects...temperature. These aggregates were studied using both an analytical distribution for laser heating following Beer - Lambert absorption and the full EM finite...surface (ysurface - y) and material absorption coefficient, α, following a Beer - Lambert absorption relation given by , = !()

  9. 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

  10. 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

  11. Investigation of Non-Equilibrium Radiation for Earth Entry

    Science.gov (United States)

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

    2016-01-01

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

  12. 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

  13. Non-equilibrium Quasi-Chemical Nucleation Model

    Science.gov (United States)

    Gorbachev, Yuriy E.

    2018-04-01

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

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

    Science.gov (United States)

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

    2015-09-01

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

  15. 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

  16. Consequences of Molecular-Scale Non-Equilibrium Activity on the Dynamics and Mechanics of Self-Assembled Actin-Based Structures and Materials

    Science.gov (United States)

    Marshall Mccall, Patrick

    turnover on the steady-state properties of collections of filaments remained unclear. Here, I reconstituted tunable, non-equilibrium actin turnover dynamics in entangled solutions of actin filaments as a model of the actin cortex of living cells. We found that this non-equilibrium turnover decouples solution mechanics from microstructure, enabling structurally indistinguishable materials to behave effectively as either viscous fluids or elastic gels. Additionally, we employed computer simulations to identify the dynamical regime in which actin turnover controls the effective viscosity of 2D cross-linked actin networks in the presence of motors. Additionally, I examine in this thesis the localization and self-assembly of actin filaments in condensed liquid phases called polyelectrolyte coacervates as a model membrane-less organelle. We find that concentration of actin through spontaneous partitioning preferentially to the coacervate phase accelerates the assembly of filaments. These filaments then localize to the coacervate-bulk interface, generating particles with visco-elastic shells surrounding liquid cores. In this case, the properties of the condensed phase enable regulation of actin assembly dynamics.

  17. Microstructural stability of fast reactor irradiated 10 to 12% Cr ferritic-martensitic stainless steels

    International Nuclear Information System (INIS)

    Little, E.A.; Stoter, L.P.

    1982-01-01

    The strength and microstructural stability of three 10 to 12% Cr ferritic-martensitic stainless steels have been characterized following fast reactor irradiation to damage levels of 30 displacements per atom (dpa) at temperatures in the range 380 to 615 0 C. Irradiation results in either increases or decreases in room temperature hardness depending on the irradiation temperature. These strength changes can be qualitatively rationalized in terms of the combined effects of irradiation-induced interstitial dislocation loop formation and recovery of the dislocation networks comprising the initial tempered martensite structures. Precipitate evolution in the irradiated steels is associated with the nonequilibrium segregation of the elements nickel, silicon, molybdenum, chromium and phosphorus, brought about by solute-point defect interactions. The principal irradiation-induced precipitates identified are M 6 X, intermetallic chi and sigma phases and also α' (Cr-rich ferrite). The implications of the observed microstructural changes on the selection of martensitic stainless steels for fast reactor wrapper applications are briefly considered

  18. Nonequilibrium two-dimensional Ising model with stationary uphill diffusion

    Science.gov (United States)

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

    2018-03-01

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

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

    International Nuclear Information System (INIS)

    Jepps, Owen G; Rondoni, Lamberto

    2010-01-01

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

  20. 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

  1. 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.

  2. 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)

  3. Experimental study of nonequilibrium post-chf heat transfer in rod bundles

    International Nuclear Information System (INIS)

    Unal, C.; Tuzla, K.; Badr, O.; Neti, S.; Chen, J.

    1986-01-01

    Verifications and improvements of nonequilibrium heat transfer models, for post-critical-heat-flux convective boiling, has been greatly affected by the lack of experimental data regarding the degree of thermodynamic nonequilibrium. Recent studies had been successful in measuring vapor superheats in a vertical single tube. This paper extends the nonequilibrium convective boiling data to a rod bundle geometry. Vapor superheat measurements were obtained in a rod bundle with nine heated rods and a heated shroud. Tests were carried out with water at low mass fluxes with a wide range of dryout conditions. Significant nonequilibrium was observed, with vapor superheats of up to 600 0 C. Parametric effects of mass flux, heat flux and inlet conditions on vapor superheat are presented

  4. Prediction of Thermal Transport Properties of Materials with Microstructural Complexity

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Youping

    2017-10-10

    This project aims at overcoming the major obstacle standing in the way of progress in dynamic multiscale simulation, which is the lack of a concurrent atomistic-continuum method that allows phonons, heat and defects to pass through the atomistic-continuum interface. The research has led to the development of a concurrent atomistic-continuum (CAC) methodology for multiscale simulations of materials microstructural, mechanical and thermal transport behavior. Its efficacy has been tested and demonstrated through simulations of dislocation dynamics and phonon transport coupled with microstructural evolution in a variety of materials and through providing visual evidences of the nature of phonon transport, such as showing the propagation of heat pulses in single and polycrystalline solids is partially ballistic and partially diffusive. In addition to providing understanding on phonon scattering with phase interface and with grain boundaries, the research has contributed a multiscale simulation tool for understanding of the behavior of complex materials and has demonstrated the capability of the tool in simulating the dynamic, in situ experimental studies of nonequilibrium transient transport processes in material samples that are at length scales typically inaccessible by atomistically resolved methods.

  5. A two-temperature chemical non-equilibrium modeling of DC arc plasma

    International Nuclear Information System (INIS)

    Qian Haiyang; Wu Bin

    2011-01-01

    To a better understanding of non-equilibrium characteristics of DC arc plasma,a two-dimensional axisymmetric two-temperature chemical non-equilibrium (2T-NCE) model is applied for direct current arc argon plasma generator with water-cooled constrictor at atmospheric pressure. The results show that the electron temperature and heavy particle temperature has a relationship under different working parameters, indicating that DC arc plasma has a strong non-equilibrium characteristic, and the variation is obvious. (authors)

  6. Nonequilibrium states of high tc YBCO superconductors under tunnel injection of quasiparticles

    International Nuclear Information System (INIS)

    Iguchi, I.; Wang, Q.; Lee, K.; Yoshida, K.

    1995-01-01

    The nonequilibrium states of high Tc superconductors are investigated by means of tunnel injection of quasiparticles using Pb(or Au)/MgO/YBCO tunnel junctions. The effective critical-current reduction due to tunnel injection is observed, whose behaviour is different from simple heating. The observed results suggest that the resultant nonequilibrium states may also differ from those described by conventional nonequilibrium models

  7. Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

    Science.gov (United States)

    Kharchenko, Vasili; Dalgarno, A.

    2005-01-01

    This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

  8. Nonequilibrium quantum fluctuations of work.

    Science.gov (United States)

    Allahverdyan, A E

    2014-09-01

    The concept of work is basic for statistical thermodynamics. To gain a fuller understanding of work and its (quantum) features, it needs to be represented as an average of a fluctuating quantity. Here I focus on the work done between two moments of time for a thermally isolated quantum system driven by a time-dependent Hamiltonian. I formulate two natural conditions needed for the fluctuating work to be physically meaningful for a system that starts its evolution from a nonequilibrium state. The existing definitions do not satisfy these conditions due to issues that are traced back to noncommutativity. I propose a definition of fluctuating work that is free of previous drawbacks and that applies for a wide class of nonequilibrium initial states. It allows the deduction of a generalized work-fluctuation theorem that applies for an arbitrary (out-of-equilibrium) initial state.

  9. Nonequilibrium statistical Zubarev's operator and Green's functions for an inhomogeneous electron gas

    Directory of Open Access Journals (Sweden)

    P.Kostrobii

    2006-01-01

    Full Text Available Nonequilibrium properties of an inhomogeneous electron gas are studied using the method of the nonequilibrium statistical operator by D.N. Zubarev. Generalized transport equations for the mean values of inhomogeneous operators of the electron number density, momentum density, and total energy density for weakly and strongly nonequilibrium states are obtained. We derive a chain of equations for the Green's functions, which connects commutative time-dependent Green's functions "density-density", "momentum-momentum", "enthalpy-enthalpy" with reduced Green's functions of the generalized transport coefficients and with Green's functions for higher order memory kernels in the case of a weakly nonequilibrium spatially inhomogeneous electron gas.

  10. Wall ablation of heated compound-materials into non-equilibrium discharge plasmas

    Science.gov (United States)

    Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing

    2017-02-01

    The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results

  11. Energetic materials and methods of tailoring electrostatic discharge sensitivity of energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Daniels, Michael A.; Heaps, Ronald J.; Wallace, Ronald S.; Pantoya, Michelle L.; Collins, Eric S.

    2016-11-01

    An energetic material comprising an elemental fuel, an oxidizer or other element, and a carbon nanofiller or carbon fiber rods, where the carbon nanofiller or carbon fiber rods are substantially homogeneously dispersed in the energetic material. Methods of tailoring the electrostatic discharge sensitivity of an energetic material are also disclosed.

  12. Modelling Thomson scattering for systems with non-equilibrium electron distributions

    Directory of Open Access Journals (Sweden)

    Chapman D.A.

    2013-11-01

    Full Text Available We investigate the effect of non-equilibrium electron distributions in the analysis of Thomson scattering for a range of conditions of interest to inertial confinement fusion experiments. Firstly, a generalised one-component model based on quantum statistical theory is given in the random phase approximation (RPA. The Chihara expression for electron-ion plasmas is then adapted to include the new non-equilibrium electron physics. The theoretical scattering spectra for both diffuse and dense plasmas in which non-equilibrium electron distributions are expected to arise are considered. We find that such distributions strongly influence the spectra and are hence an important consideration for accurately determining the plasma conditions.

  13. Non-equilibrium plasma chemistry at high pressure and its applications

    International Nuclear Information System (INIS)

    Bai Xiyao; Zhang Zhitao; Bai Mindong; Zhu Qiaoying

    2000-01-01

    A review is presented of research and development of gas discharge and non-equilibrium plasma including, new ideas of non-equilibrium plasma at high gas pressure. With special technology, strong electric fields (>400 Td) can be achieved by which electrons are accelerated suddenly, becoming high energy electrons (> 10 eV) at high pressure. On impact with the electrons, the gas molecules dissociate into ions, atomic ions, atoms and free radicals, and new substances or molecules can be synthesized through custom design. Chemical reaction difficult to achieve by conventional method can be realized or accelerated. Non-equilibrium plasma chemistry at high pressure has wide application prospects

  14. 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...

  15. 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

  16. Radiation-induced non-equilibrium redox chemistry of plutonium: implications for environmental migration

    International Nuclear Information System (INIS)

    Haschke, J.M.; Siekhaus, W.J.

    2009-01-01

    Static concentrations of plutonium oxidation states in solution and at surfaces in oxide-water systems are identified as non-equilibrium steady states. These kinetically controlled systems are described by redox cycles based on irreversible disproportionation of Pu(IV), Pu(V), and Pu(VI) in OH-bridged intermediate complexes and at OH-covered oxide surfaces. Steady state is fixed by continuous redox cycles driven by radioactivity-promoted electron-transfer and energetically favorable reactions of Pu(III) and Pu(VII) disproportionation products with H2O. A model based on the redox cycles accounts for the high steady-state (Pu) coexisting with Pu(IV) hydrous oxide at pH 0-15 and for predominance of Pu(V) and Pu(VI) in solution. The steady-state (Pu) depends on pH and the surface area of oxide in solution, but not on the initial Pu oxidation state. PuO 2+x formation is attributed to high Pu(V) concentrations existing at water-exposed oxide surfaces. Results infer that migration of Pu in an aqueous environment is controlled by kinetic factors unique to that site and that the predominant oxidation states in solution are Pu(V) and Pu(VI)

  17. Nonequilibrium temperatures and second-sound propagation along nanowires and thin layers

    International Nuclear Information System (INIS)

    Jou, D.; Cimmelli, V.A.; Sellitto, A.

    2009-01-01

    It is shown that the dispersion relation of heat waves along nanowires or thin layers could allow to compare two different definitions of nonequilibrium temperature, since thermal waves are predicted to propagate with different phase speed depending on the definition of nonequilibrium temperature being used. The difference is small, but it could be in principle measurable in nanosystems, as for instance nanowires and thin layers, in a given frequency range. Such an experiment could provide a deeper view on the problem of the definition of temperature in nonequilibrium situations.

  18. Inviscid flux-splitting algorithms for real gases with non-equilibrium chemistry

    Science.gov (United States)

    Shuen, Jian-Shun; Liou, Meng-Sing; Van Leer, Bram

    1990-01-01

    Formulations of inviscid flux splitting algorithms for chemical nonequilibrium gases are presented. A chemical system for air dissociation and recombination is described. Numerical results for one-dimensional shock tube and nozzle flows of air in chemical nonequilibrium are examined.

  19. Energetics Conditioning Facility

    Data.gov (United States)

    Federal Laboratory Consortium — The Energetics Conditioning Facility is used for long term and short term aging studies of energetic materials. The facility has 10 conditioning chambers of which 2...

  20. 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

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

    Science.gov (United States)

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

    2018-01-01

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

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

    International Nuclear Information System (INIS)

    Nayak, Gouranga C.

    2009-01-01

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

  3. Non-equilibrium modelling of distillation

    NARCIS (Netherlands)

    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

  4. Microstructural characterization of second phase regions in cast stainless steels

    International Nuclear Information System (INIS)

    Hoelzer, D.; Kenik, E.A.; Rowcliffe, A.F.; Busby, J.; Vitek, J.M.

    2007-01-01

    Full text of publication follows: Cast austenitic stainless steels offer the possibility of directly producing large and/or relatively complex structures, such as the first wall shield modules or the divertor cassette for the International Tokamak Experimental Reactor (ITER). Unfortunately, one of the inherent problems associated with casting stainless steel, especially large castings, is the formation of coarse dendrites with possibly inhomogeneously distributed second phases separated by up to several hundred microns in the microstructure. These microstructural features result from temperature and composition gradients that develop during solidification and subsequent cooling. However, detailed characterization of the second phase regions in the cast microstructures can be quite challenging to techniques such as transmission electron microscopy (TEM), which is useful for phase identification. furthermore, the information about the phases that may be present in the cast microstructures, both equilibrium and nonequilibrium, is important as input as well as for confirming predictions made by computational thermodynamics and solidification modeling. In this study, the investigation of second phase regions that formed in a large cast of a 316 stainless steel (equivalent to CF3M) will be presented and compared to simulations of the phases predicted by computational thermodynamic modeling of the solidification process. The preliminary TEM investigation of the cast microstructure was performed with specimens that were prepared by jet-polishing of 3 mm diameter discs. Although this approach allowed for the identification of the sigma and chi phases, which was consistent with the simulations, it was not suitable for detailed analysis of the second phase regions since these specimens often contained only grains of the gamma austenite phase. A better approach for preparing TEM specimens consisted of strategically lifting small sections of material from second phase regions

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

    Directory of Open Access Journals (Sweden)

    Ramon F. Álvarez-Estrada

    2014-03-01

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

  6. The nonextensive parameter for nonequilibrium electron gas in an electromagnetic field

    International Nuclear Information System (INIS)

    Yu, Haining; Du, Jiulin

    2014-01-01

    The nonextensive parameter for nonequilibrium electron gas of the plasma in an electromagnetic field is studied. We exactly obtained an expression of the q-parameter based on Boltzmann kinetic theories for plasmas, where Coulombian interactions and Lorentz forces play dominant roles. We show that the q-parameter different from unity is related by an equation to temperature gradient, electric field strength, magnetic induction as well as overall bulk velocity of the gas. The effect of the magnetic field on the q-parameter depends on the overall bulk velocity. Thus the q-parameter for the electron gas in an electromagnetic field represents the nonequilibrium nature or nonisothermal configurations of the plasma with electromagnetic interactions. - Highlights: • An expression of the q-parameter is obtained for nonequilibrium plasma with electromagnetic interactions. • The q-parameter is related to temperature gradient, electric field strength, magnetic induction as well as overall bulk velocity of the plasma. • The q-parameter represents the nonequilibrium nature of the complex plasma with electromagnetic interactions

  7. The nonextensive parameter for nonequilibrium electron gas in an electromagnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Haining; Du, Jiulin, E-mail: jldu@tju.edu.cn

    2014-11-15

    The nonextensive parameter for nonequilibrium electron gas of the plasma in an electromagnetic field is studied. We exactly obtained an expression of the q-parameter based on Boltzmann kinetic theories for plasmas, where Coulombian interactions and Lorentz forces play dominant roles. We show that the q-parameter different from unity is related by an equation to temperature gradient, electric field strength, magnetic induction as well as overall bulk velocity of the gas. The effect of the magnetic field on the q-parameter depends on the overall bulk velocity. Thus the q-parameter for the electron gas in an electromagnetic field represents the nonequilibrium nature or nonisothermal configurations of the plasma with electromagnetic interactions. - Highlights: • An expression of the q-parameter is obtained for nonequilibrium plasma with electromagnetic interactions. • The q-parameter is related to temperature gradient, electric field strength, magnetic induction as well as overall bulk velocity of the plasma. • The q-parameter represents the nonequilibrium nature of the complex plasma with electromagnetic interactions.

  8. Non-equilibrium transport in the quantum dot: quench dynamics and non-equilibrium steady state

    Science.gov (United States)

    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.

  9. On non-equilibrium states in QFT model with boundary interaction

    International Nuclear Information System (INIS)

    Bazhanov, Vladimir V.; Lukyanov, Sergei L.; Zamolodchikov, Alexander B.

    1999-01-01

    We prove that certain non-equilibrium expectation values in the boundary sine-Gordon model coincide with associated equilibrium-state expectation values in the systems which differ from the boundary sine-Gordon in that certain extra boundary degrees of freedom (q-oscillators) are added. Applications of this result to actual calculation of non-equilibrium characteristics of the boundary sine-Gordon model are also discussed

  10. Initial conditions of non-equilibrium quark-gluon plasma evolution

    International Nuclear Information System (INIS)

    Shmatov, S.V.

    2002-01-01

    In accordance with the hydrodynamic Bjorken limit, the initial energy density and temperature for a chemical non-equilibrium quark-gluon system formed in the heavy ion collisions at the LHC are computed. The dependence of this value on the type of colliding nuclei and the collision impact parameter is studied. The principle possibility of the non-equilibrium quark-gluon plasma (QGP) formation in the light nuclei collisions is shown. The life time of QGP is calculated. (author)

  11. Non-equilibrium thermodynamics

    CERN Document Server

    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

  12. Non-equilibrium Dynamics, Thermalization and Entropy Production

    International Nuclear Information System (INIS)

    Hinrichsen, Haye; Janotta, Peter; Gogolin, Christian

    2011-01-01

    This paper addresses fundamental aspects of statistical mechanics such as the motivation of a classical state space with spontaneous transitions, the meaning of non-equilibrium in the context of thermalization, and the justification of these concepts from the quantum-mechanical point of view. After an introductory part we focus on the problem of entropy production in non-equilibrium systems. In particular, the generally accepted formula for entropy production in the environment is analyzed from a critical perspective. It is shown that this formula is only valid in the limit of separated time scales of the system's and the environmental degrees of freedom. Finally, we present an alternative simple proof of the fluctuation theorem.

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

    Science.gov (United States)

    Khantuleva, Tatiana A; Shalymov, Dmitry S

    2017-03-06

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

  14. 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

  15. Modeling of two-phase flow with thermal and mechanical non-equilibrium

    International Nuclear Information System (INIS)

    Houdayer, G.; Pinet, B.; Le Coq, G.; Reocreux, M.; Rousseau, J.C.

    1977-01-01

    To improve two-phase flow modeling by taking into account thermal and mechanical non-equilibrium a joint effort on analytical experiment and physical modeling has been undertaken. A model describing thermal non-equilibrium effects is first presented. A correlation of mass transfer has been developed using steam water critical flow tests. This model has been used to predict in a satisfactory manner blowdown tests. It has been incorporated in CLYSTERE system code. To take into account mechanical non-equilibrium, a six equations model is written. To get information on the momentum transfers special nitrogen-water tests have been undertaken. The first results of these studies are presented

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

    Science.gov (United States)

    Li, Jiajun; Han, Jong E.

    2018-05-01

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

  17. Flux-split algorithms for flows with non-equilibrium chemistry and vibrational relaxation

    Science.gov (United States)

    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.

  18. Optical orientation of the homogeneous nonequilibrium Bose-Einstein condensate of exciton polaritons

    Science.gov (United States)

    Korenev, V. L.

    2012-07-01

    A simple model, describing the steady state of the nonequilibrium polarization of a homogeneous Bose-Einstein condensate of exciton polaritons, is considered. It explains the suppression of spin splitting of a nonequilibrium polariton condensate in an external magnetic field, the linear polarization, the linear-to-circular polarization conversion, and the unexpected sign of the circular polarization of the condensate all on equal footing. It is shown that inverse effects are possible, to wit, spontaneous circular polarization and the enhancement of spin splitting of a nonequilibrium condensate of polaritons.

  19. On the definition of equilibrium and non-equilibrium states in dynamical systems

    OpenAIRE

    Akimoto, Takuma

    2008-01-01

    We propose a definition of equilibrium and non-equilibrium states in dynamical systems on the basis of the time average. We show numerically that there exists a non-equilibrium non-stationary state in the coupled modified Bernoulli map lattice.

  20. 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.

  1. Phase-field modeling of the microstructure evolution and heterogeneous nucleation in solidifying ternary Al–Cu–Ni alloys

    International Nuclear Information System (INIS)

    Kundin, Julia; Pogorelov, Evgeny; Emmerich, Heike

    2015-01-01

    We have investigated the microstructure evolution during the isothermal and non-isothermal solidification of ternary Al–Cu–Ni alloys by means of a general multi-phase-field model for an arbitrary number of phases. The stability requirements for the model functions on every dual interface guarantee the absence of “ghost” phases. The aim was to generate a realistic microstructure by coupling the thermodynamic parameters of the phases and the thermodynamically consistent phase-field evolution equations. It is shown that the specially constructed thermal noise terms disturb the stability on the dual interfaces and can produce heterogeneous nucleation of product phases at energetically favorable points. Similar behavior can be observed in triple junctions where the heterogeneous nucleation of a fourth phase is more favorable. Finally, the model predicts the growth of a combined eutectic-like and peritectic-like structure that is comparable to the observed experimental microstructure in various alloys

  2. Microstructure and mechanical properties of a novel rapidly solidified, high-temperature Al-alloy

    Energy Technology Data Exchange (ETDEWEB)

    Overman, N.R., E-mail: Nicole.Overman@pnnl.gov [Pacific Northwest National Laboratory, P.O. Box 999, Richland, WA 99352 (United States); Mathaudhu, S.N. [Pacific Northwest National Laboratory, P.O. Box 999, Richland, WA 99352 (United States); University of California, Riverside, 3401 Watkins Dr., Riverside, CA 92521 (United States); Choi, J.P.; Roosendaal, T.J.; Pitman, S. [Pacific Northwest National Laboratory, P.O. Box 999, Richland, WA 99352 (United States)

    2016-02-15

    Rapid solidification (RS) processing, as a production method, offers a variety of unique properties based on far-from-equilibrium microstructures obtained through rapid cooling rates. In this study, we seek to investigate the microstructures and properties of a novel Al-alloy specifically designed for high temperature mechanical stability. Synthesis of, AlFe{sub 11.4}Si{sub 1.8}V{sub 1.6}Mn{sub 0.9} (wt.%), was performed by two approaches: rotating cup atomization (“shot”) and melt spinning (“flake”). These methods were chosen because of their ability to produce alloys with tailored microstructures due to their inherent differences in cooling rate. The as-solidified precursor materials were microstructurally characterized with electron microscopy. The results show that the higher cooling rate flake material exhibited the formation of nanocrystalline regions as well additional phase morphologies not seen in the shot material. Secondary dendritic branching in the flake material was on the order of 0.1–0.25 μm whereas branching in the shot material was 0.5–1.0 μm. Consolidated and extruded material from both precursor materials was mechanically evaluated at both ambient and high (300 °C) temperature. The consolidated RS flake material is shown to exhibit higher strengths than the shot material. The ultimate tensile strength of the melt spun flake was reported as 544.2 MPa at room temperature and 298.0 MPa at 300 °C. These results forecast the ability to design alloys and processing approaches with unique non-equilibrium microstructures with robust mechanical properties at elevated temperatures. - Highlights: • A novel alloy, AlFe{sub 11.4}Si{sub 1.8}V{sub 1.6}Mn{sub 0.9} was fabricated by rapid solidification. • Room temperature yield strength exceeded 500 MPa. • Elevated temperature (300 °C) yield strength exceeded 275 MPa. • Forging, after extrusion of the alloy resulted in microstructural coarsening. • Decreased strength and ductility was

  3. Microstructure/processing relationships in high-energy high-rate consolidated powder composites of Nb-stabilized Ti3Al+TiAl

    Energy Technology Data Exchange (ETDEWEB)

    Persad, C.; Lee, B.; Hou, C.; Eliezer, Z.; Marcus, H.L.

    1989-01-01

    A new approach to powder processing is employed in forming titanium aluminide composites. The processing consists of internal heating of a customized powder blend by a fast electrical discharge of a homopolar generator. The high-energy high-rate '1MJ in 1s' pulse permits rapid heating of an electrically conducting powder mixture in a cold wall die. This short time at temperature approach offers the opportunity to control phase transformations and the degree of microstructural coarsening not readily possible with standard powder-processing approaches. This paper describes the consolidation results of titanium aluminide-based powder-composite materials. The focus of this study was the definition of microstructure/processing relationships for each of the composite constituents, first as monoliths and then in composite forms. Non-equilibrium phases present in rapidly solidified TiAl powders are transformed to metastable intermediates en route to the equilibrium gamma phase.

  4. 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

  5. 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.)

  6. 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.)

  7. 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.

  8. 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

  9. 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

  10. 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

  11. Electrical initiation of an energetic nanolaminate film

    Science.gov (United States)

    Tringe, Joseph W.; Gash, Alexander E.; Barbee, Jr., Troy W.

    2010-03-30

    A heating apparatus comprising an energetic nanolaminate film that produces heat when initiated, a power source that provides an electric current, and a control that initiates the energetic nanolaminate film by directing the electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature. Also a method of heating comprising providing an energetic nanolaminate film that produces heat when initiated, and initiating the energetic nanolaminate film by directing an electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature.

  12. Phase transitions, nonequilibrium dynamics, and critical behavior of strongly interacting systems

    International Nuclear Information System (INIS)

    Mottola, E.; Bhattacharya, T.; Cooper, F.

    1998-01-01

    This is the final report of a three-year, Laboratory Directed Research and Development project at Los Alamos National Laboratory. In this effort, large-scale simulations of strongly interacting systems were performed and a variety of approaches to the nonequilibrium dynamics of phase transitions and critical behavior were investigated. Focus areas included (1) the finite-temperature quantum chromodynamics phase transition and nonequilibrium dynamics of a new phase of matter (the quark-gluon plasma) above the critical temperature, (2) nonequilibrium dynamics of a quantum fields using mean field theory, and (3) stochastic classical field theoretic models with applications to spinodal decomposition and structural phase transitions in a variety of systems, such as spin chains and shape memory alloys

  13. Phase transitions, nonequilibrium dynamics, and critical behavior of strongly interacting systems

    Energy Technology Data Exchange (ETDEWEB)

    Mottola, E.; Bhattacharya, T.; Cooper, F. [and others

    1998-12-31

    This is the final report of a three-year, Laboratory Directed Research and Development project at Los Alamos National Laboratory. In this effort, large-scale simulations of strongly interacting systems were performed and a variety of approaches to the nonequilibrium dynamics of phase transitions and critical behavior were investigated. Focus areas included (1) the finite-temperature quantum chromodynamics phase transition and nonequilibrium dynamics of a new phase of matter (the quark-gluon plasma) above the critical temperature, (2) nonequilibrium dynamics of a quantum fields using mean field theory, and (3) stochastic classical field theoretic models with applications to spinodal decomposition and structural phase transitions in a variety of systems, such as spin chains and shape memory alloys.

  14. 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

  15. 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

  16. Beyond the second law entropy production and non-equilibrium systems

    CERN Document Server

    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, ...

  17. Coherence enhanced quantum metrology in a nonequilibrium optical molecule

    Science.gov (United States)

    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.

  18. Coherent application of a contact structure to formulate Classical Non-Equilibrium Thermodynamics

    NARCIS (Netherlands)

    Knobbe, E; Roekaerts, D.J.E.M.

    2017-01-01

    This contribution presents an outline of a new mathematical formulation for
    Classical Non-Equilibrium Thermodynamics (CNET) based on a contact
    structure in differential geometry. First a non-equilibrium state space is introduced as the third key element besides the first and second law of

  19. A new algorithm for extended nonequilibrium molecular dynamics simulations of mixed flow

    NARCIS (Netherlands)

    Hunt, T.A.; Hunt, Thomas A.; Bernardi, Stefano; Todd, B.D.

    2010-01-01

    In this work, we develop a new algorithm for nonequilibrium molecular dynamics of fluids under planar mixed flow, a linear combination of planar elongational flow and planar Couette flow. To date, the only way of simulating mixed flow using nonequilibrium molecular dynamics techniques was to impose

  20. Non-equilibrium properties of Josephson critical current in Nb-based three terminal superconducting tunnel devices

    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.)

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

    Czech Academy of Sciences Publication Activity Database

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

    2017-01-01

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

  2. Numerical fluid dynamics calculations of nonequilibrium steam-water flows with entrained droplets

    International Nuclear Information System (INIS)

    Williams, K.A.

    1984-01-01

    The present work has developed a computational fluid dynamics formulation that efficiently solves the conservation laws for a vapor field, a continuous liquid field, and two dispersed droplet fields. The thermal-hydraulic effects resulting from the exchange of mass, momentum and energy between the vapor and the dispersed droplet phases has been accurately modeled. This work is an advancement of the state-of-the-art for engineering analyses of nonequilibrium steam-water-droplet flows in heated channels. It is particularly applicable for boiling steam-water flows in which it is important to represent the effects of significant thermal nonequilibrium between the vapor and the liquid phases. This work was shown to be in good agreement with unique experimental measurements of significant thermal nonequilibrium between the vapor and dispersed droplets. The tests analyzed covered a range of mass fluxes and wall heating rates, and were all at low pressures where nonequilibrium effects are most pronounced

  3. Multiscale Transient and Steady-State Study of the Influence of Microstructure Degradation and Chromium Oxide Poisoning on Solid Oxide Fuel Cell Cathode Performance

    Science.gov (United States)

    Li, Guanchen; von Spakovsky, Michael R.; Shen, Fengyu; Lu, Kathy

    2018-01-01

    Oxygen reduction in a solid oxide fuel cell cathode involves a nonequilibrium process of coupled mass and heat diffusion and electrochemical and chemical reactions. These phenomena occur at multiple temporal and spatial scales, making the modeling, especially in the transient regime, very difficult. Nonetheless, multiscale models are needed to improve the understanding of oxygen reduction and guide cathode design. Of particular importance for long-term operation are microstructure degradation and chromium oxide poisoning both of which degrade cathode performance. Existing methods are phenomenological or empirical in nature and their application limited to the continuum realm with quantum effects not captured. In contrast, steepest-entropy-ascent quantum thermodynamics can be used to model nonequilibrium processes (even those far-from equilibrium) at all scales. The nonequilibrium relaxation is characterized by entropy generation, which can unify coupled phenomena into one framework to model transient and steady behavior. The results reveal the effects on performance of the different timescales of the varied phenomena involved and their coupling. Results are included here for the effects of chromium oxide concentrations on cathode output as is a parametric study of the effects of interconnect-three-phase-boundary length, oxygen mean free path, and adsorption site effectiveness. A qualitative comparison with experimental results is made.

  4. 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

  5. About Russian nuclear energetic perspectives

    International Nuclear Information System (INIS)

    Laletin, N.I.

    2003-01-01

    My particular view about Russian nuclear energetics perspectives is presented. The nearest and the further perspectives are considered. The arguments are adduced that the most probable scenario of nuclear energetic development is its stabilization in the near future. Fur further development the arguments of supporters and opponents of nuclear energetics are analyzed. Three points of view are considered. The first point of view that there is not alternative for nuclear energetics. My notes are the following ones. a) I express a skeptic opinion about a statement of quick exhaustion of fossil organic fuel recourses and corresponding estimations are presented. b) It is expressed skeptic opinion about the statement that nuclear energetics can have a visual influence on ''steam effect''. c) I agree that nuclear energetics is the most ecological technology for normal work but however we can't disregard possibilities of catastrophic accidents. The second point of view that the use of nuclear energetics can't have the justification. I adduce the arguments contrary to this statement. The third point of view that nuclear energetics is a usual technology and the only criteria for discussions about what dimension and where one ought develop it is total cost of its unit. Expressed an opinion that the deceived for the choose of a way the skill of the estimate correctly and optimized so named the external parts of the unit energy costs for different energy technologies. (author)

  6. Microstructural evolution and mechanical properties of as-cast and T6-treated AA2195 DC cast alloy

    International Nuclear Information System (INIS)

    Hekmat-Ardakan, A.; Elgallad, E.M.; Ajersch, F.; Chen, X.-G.

    2012-01-01

    The use of direct chill (DC) cast ingot plates of AA2195 alloys has been recently extended for large mold applications in the plastics and automotive industries. The microstructural evolution of the as-cast AA2195 alloy was investigated using the Factsage thermodynamic software under both equilibrium and non-equilibrium conditions, and was compared with the results from differential scanning calorimetry (DSC) analysis and microstructural observations. The as-cast microstructure exhibited the presence of Al 2 CuMg, Al 2 Cu and Al 2 CuLi intermetallic phases formed at the aluminum dendrite boundaries, which can be completely dissolved in the α-Al matrix during the solution treatment. A significant improvement in the mechanical properties of the AA2195 cast alloy after the T6 heat treatment is attributed to the formation of nano-scale θ′ (Al 2 Cu) and T1 (Al 2 CuLi) precipitates. However, the non-uniform distribution of T1 precipitates together with the large size and low density indicate that the role of θ′ precipitates in strengthening the AA2195 cast alloy is more dominant than that of the T1 precipitates, in contrast with the strengthening mechanism of the pre-deformed AA2195-T8 rolled products.

  7. 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.

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

    Science.gov (United States)

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

    2015-02-01

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

  9. Non-Equilibrium Thermodynamic Chemistry and the Composition of the Atmosphere of Mars

    Science.gov (United States)

    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.

  10. Energetics of Ortho-7 (oxime drug translocation through the active-site gorge of tabun conjugated acetylcholinesterase.

    Directory of Open Access Journals (Sweden)

    Vivek Sinha

    Full Text Available Oxime drugs translocate through the 20 Å active-site gorge of acetylcholinesterase in order to liberate the enzyme from organophosphorus compounds' (such as tabun conjugation. Here we report bidirectional steered molecular dynamics simulations of oxime drug (Ortho-7 translocation through the gorge of tabun intoxicated enzyme, in which time dependent external forces accelerate the translocation event. The simulations reveal the participation of drug-enzyme hydrogen bonding, hydrophobic interactions and water bridges between them. Employing nonequilibrium theorems that recovers the free energy from irreversible work done, we reconstruct potential of mean force along the translocation pathway such that the desired quantity represents an unperturbed system. The potential locates the binding sites and barriers for the drug to translocate inside the gorge. Configurational entropic contribution of the protein-drug binding entity and the role of solvent translational mobility in the binding energetics is further assessed.

  11. Demonstration of Hybrid DSMC-CFD Capability for Nonequilibrium Reacting Flow

    Science.gov (United States)

    2018-02-09

    AFRL-RV-PS- TR-2018-0056 AFRL-RV-PS- TR-2018-0056 DEMONSTRATION OF HYBRID DSMC-CFD CAPABILITY FOR NONEQUILIBRIUM REACTING FLOW Thomas E...4. TITLE AND SUBTITLE Demonstration of Hybrid DSMC-CFD Capability for Nonequilibrium Reacting Flow 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA9453-17-1...simulation codes. The models are based on new ab-intio rate data obtained using state -of-the-art potential energy surfaces for air species. A probability

  12. 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.

  13. Replacing leads by self-energies using non-equilibrium Green's functions

    International Nuclear Information System (INIS)

    Michael, Fredrick; Johnson, M.D.

    2003-01-01

    Open quantum systems consist of semi-infinite leads which transport electrons to and from the device of interest. We show here that within the non-equilibrium Green's function technique for continuum systems, the leads can be replaced by simple c-number self-energies. Our starting point is an approach for continuum systems developed by Feuchtwang. The reformulation developed here is simpler to understand and carry out than the somewhat unwieldly manipulations typical in the Feuchtwang method. The self-energies turn out to have a limited variability: the retarded self-energy Σ r depends on the arbitrary choice of internal boundary conditions, but the non-equilibrium self-energy or scattering function Σ which determines transport is invariant for a broad class of boundary conditions. Expressed in terms of these self-energies, continuum non-equilibrium transport calculations take a particularly simple form similar to that developed for discrete systems

  14. 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.

  15. Post-CHF heat transfer: a non-equilibrium, relaxation model

    International Nuclear Information System (INIS)

    Jones, O.C. Jr.; Zuber, N.

    1977-01-01

    Existing phenomenological models of heat transfer in the non-equilibrium, liquid-deficient, dispersed flow regime can sometimes predict the thermal behavior fairly well but are quite complex, requiring coupled simultaneous differential equations to describe the axial gradients of mass and energy along with those of droplet acceleration and size. In addition, empirical relations are required to express the droplet breakup and increased effective heat transfer due to holdup. This report describes the development of a different approach to the problem. It is shown that the non-equilibrium component of the total energy can be expressed as a first order, inhomogeneous relaxation equation in terms of one variable coefficient termed the Superheat Relaxation number. A demonstration is provided to show that this relaxation number can be correlated using local variables in such a manner to allow the single non-equilibrium equation to accurately calculate the effects of mass velocity and heat flux along with tube length, diameter, and critical quality for equilibrium qualities from 0.13 to over 3.0

  16. NON-EQUILIBRIUM HELIUM IONIZATION IN AN MHD SIMULATION OF THE SOLAR ATMOSPHERE

    International Nuclear Information System (INIS)

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit

    2016-01-01

    The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11–18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed

  17. Observation of enhanced radial transport of energetic ion due to energetic particle mode destabilized by helically-trapped energetic ion in the Large Helical Device

    Science.gov (United States)

    Ogawa, K.; Isobe, M.; Kawase, H.; Nishitani, T.; Seki, R.; Osakabe, M.; LHD Experiment Group

    2018-04-01

    A deuterium experiment was initiated to achieve higher-temperature and higher-density plasmas in March 2017 in the Large Helical Device (LHD). The central ion temperature notably increases compared with that in hydrogen experiments. However, an energetic particle mode called the helically-trapped energetic-ion-driven resistive interchange (EIC) mode is often excited by intensive perpendicular neutral beam injections on high ion-temperature discharges. The mode leads to significant decrease of the ion temperature or to limiting the sustainment of the high ion-temperature state. To understand the effect of EIC on the energetic ion confinement, the radial transport of energetic ions is studied by means of the neutron flux monitor and vertical neutron camera newly installed on the LHD. Decreases of the line-integrated neutron profile in core channels show that helically-trapped energetic ions are lost from the plasma.

  18. Analysis of the energetic sector through the national energetic matrix

    International Nuclear Information System (INIS)

    Garzon Lozano, Enrique

    2007-01-01

    The author shows the results of the national energetic balance 1975-2005, through the energetic matrix of the country, giving an annual growth of 5.1% in this period of offer of primary energy, where the mineral coal participates with 9,6%, the hydraulic energy with 4,8%, natural gas with 4,2%, trash with 2,4% and petroleum with 2,2%, while the firewood fell in 0,5%

  19. 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)

  20. 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

  1. 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

  2. Nonequilibrium statistical theory of bubble nucleation and growth under neutron and proton irradiation

    International Nuclear Information System (INIS)

    Yu, J.; Sommer, W.F.; Bradbury, J.N.

    1986-01-01

    Microstructural evolution in metals under particle irradiation is described by a non-equilibrium statistics method. This method gives a set of equations for the evolution of bubbles and an approximate solution for a distribution function of bubble size as a function of fluence and temperature. The distribution function gives the number of bubbles of radius r at time t, N(r,t)dr, as a function of size, r/r 0 (r 0 is the radius of a bubble nucleus). It is found that N(r,t)dr increases with fluence. Also, the peak value of N(r,t)dt shifts to higher r/r 0 with increasing fluence. Nucleation depends mainly on helium concentration and defect cluster concentration while bubble growth is controlled mainly by the vacancy concentration and a fluctuation coefficient. If suitable material parameters are chosen, a reasonable distribution function for bubble size is obtained. The helium diffusion coefficient is found to be less than that for vacancies by five orders of magnitude. The fraction of helium remaining in matrix is less than 10 -2 ; the majority of the helium is associated with the bubbles

  3. Convection with local thermal non-equilibrium and microfluidic effects

    CERN Document Server

    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.

  4. 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.

  5. 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

  6. Non-equilibrium thermodynamics and physical kinetics

    CERN Document Server

    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.

  7. Exploring the nonequilibrium dynamics of ultracold quantum gases by using numerical tools

    Science.gov (United States)

    Heidrich-Meisner, Fabian

    Numerical tools such as exact diagonalization or the density matrix renormalization group method have been vital for the study of the nonequilibrium dynamics of strongly correlated many-body systems. Moreover, they provided unique insight for the interpretation of quantum gas experiments, whenever a direct comparison with theory is possible. By considering the example of the experiment by Ronzheimer et al., in which both an interaction quench and the release of bosons from a trap into an empty optical lattice (sudden expansion) was realized, I discuss several nonequilibrium effects of strongly interacting quantum gases. These include the thermalization of a closed quantum system and its connection to the eigenstate thermalization hypothesis, nonequilibrium mass transport, dynamical fermionization, and transient phenomena such as quantum distillation or dynamical quasicondensation. I highlight the role of integrability in giving rise to ballistic transport in strongly interacting 1D systems and in determining the asymptotic state after a quantum quench. The talk concludes with a perspective on open questions concerning 2D systems and the numerical simulation of their nonequilibrium dynamics. Supported by Deutsche Forschungsgemeinschaft (DFG) via FOR 801.

  8. Comparing two non-equilibrium approaches to modelling of a free-burning arc

    International Nuclear Information System (INIS)

    Baeva, M; Uhrlandt, D; Benilov, M S; Cunha, M D

    2013-01-01

    Two models of high-pressure arc discharges are compared with each other and with experimental data for an atmospheric-pressure free-burning arc in argon for arc currents of 20–200 A. The models account for space-charge effects and thermal and ionization non-equilibrium in somewhat different ways. One model considers space-charge effects, thermal and ionization non-equilibrium in the near-cathode region and thermal non-equilibrium in the bulk plasma. The other model considers thermal and ionization non-equilibrium in the entire arc plasma and space-charge effects in the near-cathode region. Both models are capable of predicting the arc voltage in fair agreement with experimental data. Differences are observed in the arc attachment to the cathode, which do not strongly affect the near-cathode voltage drop and the total arc voltage for arc currents exceeding 75 A. For lower arc currents the difference is significant but the arc column structure is quite similar and the predicted bulk plasma characteristics are relatively close to each other. (paper)

  9. Thermal non-equilibrium in porous medium adjacent to vertical plate: ANN approach

    Science.gov (United States)

    Ahmed, N. J. Salman; Ahamed, K. S. Nazim; Al-Rashed, Abdullah A. A. A.; Kamangar, Sarfaraz; Athani, Abdulgaphur

    2018-05-01

    Thermal non-equilibrium in porous medium is a condition that refers to temperature discrepancy in solid matrix and fluid of porous medium. This type of flow is complex flow requiring complex set of partial differential equations that govern the flow behavior. The current work is undertaken to predict the thermal non-equilibrium behavior of porous medium adjacent to vertical plate using artificial neural network. A set of neurons in 3 layers are trained to predict the heat transfer characteristics. It is found that the thermal non-equilibrium heat transfer behavior in terms of Nusselt number of fluid as well as solid phase can be predicted accurately by using well-trained neural network.

  10. The impact of episodic nonequilibrium fracture-matrix flow on geological repository performance

    International Nuclear Information System (INIS)

    Buscheck, T.A.; Nitao, J.J.; Chestnut, D.A.

    1991-01-01

    Adequate representation of fracture-matrix interaction during episodic infiltration events is crucial in making valid hydrological predictions of repository performance at Yucca Mountain. Various approximations have been applied to represent fracture-matrix flow interaction, including the Equivalent Continuum Model (ECM), which assumes capillary equilibrium between fractures and matrix, and the Fracture-Matrix Model (FMM), which accounts for nonequilibrium fracture-matrix flow. We analyze the relative impact of matrix imbibition on episodic nonequilibrium fracture-matrix flow for the eight major hydrostratigraphic units in the unsaturated zone at Yucca Mountain. Comparisons are made between ECM and FMM predictions to determine the applicability of the ECM. The implications of nonequilibrium fracture-matrix flow on radionuclide transport are also discussed

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

    Science.gov (United States)

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

    2015-12-01

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

  12. 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

  13. Surface-ionization field mass-spectrometry studies of nonequilibrium surface ionization

    International Nuclear Information System (INIS)

    Blashenkov, Nikolai M; Lavrent'ev, Gennadii Ya

    2007-01-01

    The ionization of polyatomic molecules on tungsten and tungsten oxide surfaces is considered for quasiequilibrium or essentially nonequilibrium conditions (in the latter case, the term nonequilibrium surface ionization is used for adsorbate ionization). Heterogeneous reactions are supposed to proceed through monomolecular decay of polyatomic molecules or fragments of multimolecular complexes. The nonequilibrium nature of these reactions is established. The dependences of the current density of disordered ions on the surface temperature, electric field strength, and ionized particle energy distribution are obtained in analytical form. Heterogeneous dissociation energies, the ionization potentials of radicals, and the magnitude of reaction departure from equilibrium are determined from experimental data, as are energy exchange times between reaction products and surfaces, the number of molecules in molecular complexes, and the number of effective degrees of freedom in molecules and complexes. In collecting the data a new technique relying on surface-ionization field mass-spectrometry was applied. (instruments and methods of investigation)

  14. Modeling, Measurements, and Fundamental Database Development for Nonequilibrium Hypersonic Aerothermodynamics

    Science.gov (United States)

    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

  15. Flare energetics

    Science.gov (United States)

    Wu, S. T.; Dejager, C.; Dennis, B. R.; Hudson, H. S.; Simnett, G. M.; Strong, K. T.; Bentley, R. D.; Bornmann, P. L.; Bruner, M. E.; Cargill, P. J.

    1986-01-01

    In this investigation of flare energetics, researchers sought to establish a comprehensive and self-consistent picture of the sources and transport of energy within a flare. To achieve this goal, they chose five flares in 1980 that were well observed with instruments on the Solar Maximum Mission, and with other space-borne and ground-based instruments. The events were chosen to represent various types of flares. Details of the observations available for them and the corresponding physical parameters derived from these data are presented. The flares were studied from two perspectives, the impulsive and gradual phases, and then the results were compared to obtain the overall picture of the energics of these flares. The role that modeling can play in estimating the total energy of a flare when the observationally determined parameters are used as the input to a numerical model is discussed. Finally, a critique of the current understanding of flare energetics and the methods used to determine various energetics terms is outlined, and possible future directions of research in this area are suggested.

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

    Science.gov (United States)

    Bose, Amartya; Makri, Nancy

    2017-10-21

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

  17. 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

  18. Effects of nonequilibrium adsorption on nuclide transport in a porous rock

    International Nuclear Information System (INIS)

    Shi-Ping Teng; Ching-Hor Lee

    1994-01-01

    An analytical solution covering the entire range of adsorption properties of rock has been derived for the migration of radionuclide in a porous rock matrix. The analysis takes into account the advective transport, hydrodynamic dispersion, adsorption between solid phase and liquid phase, and the radioactive decay. For adsorption of nuclide within the rock, the effects of no adsorption, linear nonequilibrium adsorption, and linear equilibrium adsorption are integrated into a generic transient analytical solution. The results indicate that the assumption of equilibrium adsorption can result in underestimation of the concentration profile in the early stages of migration. However, both the equilibrium and nonequilibrium profiles eventually approach the same value. It is also noted that for the case of nonequilibrium adsorption, plateaus appear in the concentration profile of the breakthrough curves. The effects of different adsorption rates are also analyzed

  19. Non-equilibrium assembly of microtubules: from molecules to autonomous chemical robots.

    Science.gov (United States)

    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.

  20. On Equivalence of Nonequilibrium Thermodynamic and Statistical Entropies

    Directory of Open Access Journals (Sweden)

    Purushottam D. Gujrati

    2015-02-01

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

  1. 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

  2. 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.

  3. 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.

  4. Extension of CE/SE method to non-equilibrium dissociating flows

    KAUST Repository

    Wen, C.Y.

    2017-12-08

    In this study, the hypersonic non-equilibrium flows over rounded nose geometries are numerically investigated by a robust conservation element and solution element (CE/SE) code, which is based on hybrid meshes consisting of triangular and quadrilateral elements. The dissociating and recombination chemical reactions as well as the vibrational energy relaxation are taken into account. The stiff source terms are solved by an implicit trapezoidal method of integration. Comparison with laboratory and numerical cases are provided to demonstrate the accuracy and reliability of the present CE/SE code in simulating hypersonic non-equilibrium flows.

  5. Importance of thermal nonequilibrium considerations for the simulation of nuclear reactor LOCA transients

    International Nuclear Information System (INIS)

    Fischer, S.R.; Nelson, R.A.; Sullivan, L.H.

    1980-01-01

    The purpose of this paper is to show the importance of considering thermal nonequilibrium effects in computer simulations of the refill and reflood portions of pressurized water reactor (PWR) loss-of-coolnat accident (LOCA) transients. Although RELAP4 assumes thermodynamic equilibrium between phases, models that account for the nonequilibrium phenomena associated with the mixing of subcooled emergency cooling water with steam and the superheating of vapor in the presence of liquid droplets have recently been incorporated into the code. Code calculated results, both with and without these new models, have been compared with experimental test data to assess the importance of including thermal nonequilibrium phenomena in computer code simulations

  6. Potential and flux field landscape theory. II. Non-equilibrium thermodynamics of spatially inhomogeneous stochastic dynamical systems

    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

  7. Non-equilibrium magnetic colloidal dispersions at liquid-air interfaces: dynamic patterns, magnetic order and self-assembled swimmers

    International Nuclear Information System (INIS)

    Snezhko, Alexey

    2011-01-01

    Colloidal dispersions of interacting particles subjected to an external periodic forcing often develop nontrivial self-assembled patterns and complex collective behavior. A fundamental issue is how collective ordering in such non-equilibrium systems arises from the dynamics of discrete interacting components. In addition, from a practical viewpoint, by working in regimes far from equilibrium new self-organized structures which are generally not available through equilibrium thermodynamics can be created. In this review spontaneous self-assembly phenomena in magnetic colloidal dispersions suspended at liquid-air interfaces and driven out of equilibrium by an alternating magnetic field are presented. Experiments reveal a new type of nontrivially ordered self-assembled structures emerging in such systems in a certain range of excitation parameters. These dynamic structures emerge as a result of the competition between magnetic and hydrodynamic forces and have complex unconventional magnetic ordering. Nontrivial self-induced hydrodynamic fields accompany each out-of-equilibrium pattern. Spontaneous symmetry breaking of the self-induced surface flows leading to a formation of self-propelled microstructures has been discovered. Some features of the self-localized structures can be understood in the framework of the amplitude equation (Ginzburg-Landau type equation) for parametric waves coupled to the conservation law equation describing the evolution of the magnetic particle density and the Navier-Stokes equation for hydrodynamic flows. To understand the fundamental microscopic mechanisms governing self-assembly processes in magnetic colloidal dispersions at liquid-air interfaces a first-principle model for a non-equilibrium self-assembly is presented. The latter model allows us to capture in detail the entire process of out-of-equilibrium self-assembly in the system and reproduces most of the observed phenomenology. (topical review)

  8. 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

  9. 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.)

  10. Musical Tasks and Energetic Arousal.

    Science.gov (United States)

    Lim, Hayoung A; Watson, Angela L

    2018-03-08

    Music is widely recognized as a motivating stimulus. Investigators have examined the use of music to improve a variety of motivation-related outcomes; however, these studies have focused primarily on passive music listening rather than active participation in musical activities. To examine the influence of participation in musical tasks and unique participant characteristics on energetic arousal. We used a one-way Welch's ANOVA to examine the influence of musical participation (i.e., a non-musical control and four different musical task conditions) upon energetic arousal. In addition, ancillary analyses of participant characteristics including personality, age, gender, sleep, musical training, caffeine, nicotine, and alcohol revealed their possible influence upon pretest and posttest energetic arousal scores. Musical participation yielded a significant relationship with energetic arousal, F(4, 55.62) = 44.38, p = .000, estimated ω2 = 0.60. Games-Howell post hoc pairwise comparisons revealed statistically significant differences between five conditions. Descriptive statistics revealed expected differences between introverts' and extraverts' energetic arousal scores at the pretest, F(1, 115) = 6.80, p = .010, partial η2= .06; however, mean differences failed to reach significance at the posttest following musical task participation. No other measured participant characteristics yielded meaningful results. Passive tasks (i.e., listening to a story or song) were related to decreased energetic arousal, while active musical tasks (i.e., singing, rhythm tapping, and keyboard playing) were related to increased energetic arousal. Musical task participation appeared to have a differential effect for individuals with certain personality traits (i.e., extroverts and introverts).

  11. Emergence of a fluctuation relation for heat in nonequilibrium Landauer processes

    Science.gov (United States)

    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.

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

    International Nuclear Information System (INIS)

    Fritsch, Peter; Kehrein, Stefan

    2009-01-01

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

  13. 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.

  14. Generalized nonequilibrium capillary relations for two-phase flow through heterogeneous media.

    Science.gov (United States)

    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.

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

    International Nuclear Information System (INIS)

    Yuge, Tatsuro

    2014-01-01

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

  16. SIMULATION OF ENERGETIC NEUTRAL ATOMS FROM SOLAR ENERGETIC PARTICLES

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Linghua [Institute of Space Physics and Applied Technology, Peking University, Beijing 100871 (China); Li, Gang [Department of Space Science and CSPAR, University of Alabama in Huntsville, Huntsville, AL 35899 (United States); Shih, Albert Y. [Solar Physics Laboratory, NASA Goddard Space Flight Center, Greenbelt, MD 20770 (United States); Lin, Robert P. [Space Sciences Laboratory, University of California, Berkeley, CA 94720-7450 (United States); Wimmer-Schweingruber, Robert F., E-mail: wanglhwang@gmail.com [Institut fuer Experimentelle und Angewandte Physik, University of Kiel, Leibnizstrasse 11, D-24118 Kiel (Germany)

    2014-10-01

    Energetic neutral atoms (ENAs) provide the only way to observe the acceleration site of coronal-mass-ejection-driven (CME-driven) shock-accelerated solar energetic particles (SEPs). In gradual SEP events, energetic protons can charge exchange with the ambient solar wind or interstellar neutrals to become ENAs. Assuming a CME-driven shock with a constant speed of 1800 km s{sup –1} and compression ratio of 3.5, propagating from 1.5 to 40 R{sub S} , we calculate the accelerated SEPs at 5-5000 keV and the resulting ENAs via various charge-exchange interactions. Taking into account the ENA losses in the interplanetary medium, we obtain the flux-time profiles of these solar ENAs reaching 1 AU. We find that the arriving ENAs at energies above ∼100 keV show a sharply peaked flux-time profile, mainly originating from the shock source below 5 R{sub S} , whereas the ENAs below ∼20 keV have a flat-top time profile, mostly originating from the source beyond 10 R{sub S} . Assuming the accelerated protons are effectively trapped downstream of the shock, we can reproduce the STEREO ENA fluence observations at ∼2-5 MeV/nucleon. We also estimate the flux of ENAs coming from the charge exchange of energetic storm protons, accelerated by the fast CME-driven shock near 1 AU, with interstellar hydrogen and helium. Our results suggest that appropriate instrumentation would be able to detect ENAs from SEPs and to even make ENA images of SEPs at energies above ∼10-20 keV.

  17. Understanding Non-equilibrium Thermodynamics Foundations, Applications, Frontiers

    CERN Document Server

    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...

  18. Nonequilibrium recombination after a curved shock wave

    Science.gov (United States)

    Wen, Chihyung; Hornung, Hans

    2010-02-01

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

  19. The entropy concept for non-equilibrium states.

    Science.gov (United States)

    Lieb, Elliott H; Yngvason, Jakob

    2013-10-08

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

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

    International Nuclear Information System (INIS)

    Híjar, Humberto; Sutmann, Godehard

    2008-01-01

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

  1. Energetics of formation and migration of self-interstitials and self-interstitial clusters in α-iron

    International Nuclear Information System (INIS)

    Wirth, B.D.; Odette, G.R.; California Univ., Santa Barbara, CA; Maroudas, D.; Lucas, G.E.; California Univ., Santa Barbara, CA

    1997-01-01

    Energetic primary recoil atoms from fast neutron irradiation generate both isolated point defects and clusters of vacancies and interstitials. Self-interstitial mobility as well as defect cluster stability and mobility play key roles in the subsequent fate of defects and, hence, in the overall microstructural evolution under irradiation. Self-interstitials and two, three and four-member self-interstitial clusters are highly mobile at low temperatures as observed in molecular-dynamics simulations and high mobility probably also extends to larger clusters. In this study, the morphology, energetics and mobility of self-interstitials and small self-interstitial clusters in α-iron are studied by molecular-statics and molecular-dynamics simulations using a Finnis-Sinclair many-body interatomic potential. Self-interstitial migration is found to be a two-step process consisting of a rotation out of the split-dumbbell configuration into the split-dumbbell configuration and translational jumps through the crowdion configuration before returning to the dumbbell configuration. Self-interstitial clusters of type split-interstitials assembled on adjacent {110} planes migrate along directions in an amoeba-like fashion by sequential local dissociation and re-association processes. (orig.)

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

    International Nuclear Information System (INIS)

    Su, B.; Olson, G.L.

    1999-01-01

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

  3. Nonequilibrium statistical mechanics of shear flow: invariant quantities and current relations

    International Nuclear Information System (INIS)

    Baule, A; Evans, R M L

    2010-01-01

    In modeling nonequilibrium systems one usually starts with a definition of the microscopic dynamics, e.g., in terms of transition rates, and then derives the resulting macroscopic behavior. We address the inverse question for a class of steady state systems, namely complex fluids under continuous shear flow: how does an externally imposed shear current affect the microscopic dynamics of the fluid? The answer can be formulated in the form of invariant quantities, exact relations for the transition rates in the nonequilibrium steady state, as discussed in a recent letter (Baule and Evans, 2008 Phys. Rev. Lett. 101 240601). Here, we present a more pedagogical account of the invariant quantities and the theory underlying them, known as the nonequilibrium counterpart to detailed balance (NCDB). Furthermore, we investigate the relationship between the transition rates and the shear current in the steady state. We show that a fluctuation relation of the Gallavotti–Cohen type holds for systems satisfying NCDB

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

    International Nuclear Information System (INIS)

    Yeh, L.

    1992-01-01

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

  5. Choking flow modeling with mechanical and thermal non-equilibrium

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, H.J.; Ishii, M.; Revankar, S.T. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States)

    2006-01-15

    The mechanistic model, which considers the mechanical and thermal non-equilibrium, is described for two-phase choking flow. The choking mass flux is obtained from the momentum equation with the definition of choking. The key parameter for the mechanical non-equilibrium is a slip ratio. The dependent parameters for the slip ratio are identified. In this research, the slip ratio which is defined in the drift flux model is used to identify the impact parameters on the slip ratio. Because the slip ratio in the drift flux model is related to the distribution parameter and drift velocity, the adequate correlations depending on the flow regime are introduced in this study. For the thermal non-equilibrium, the model is developed with bubble conduction time and Bernoulli choking model. In case of highly subcooled water compared to the inlet pressure, the Bernoulli choking model using the pressure undershoot is used because there is no bubble generation in the test section. When the phase change happens inside the test section, two-phase choking model with relaxation time calculates the choking mass flux. According to the comparison of model prediction with experimental data shows good agreement. The developed model shows good prediction in both low and high pressure ranges. (author)

  6. INTRODUCTION: Nonequilibrium Processes in Plasmas

    Science.gov (United States)

    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

  7. Modelling of Eutectic Saturation Influence on Microstructure in Thin Wall Ductile Iron Casting Using Cellular Automata

    Directory of Open Access Journals (Sweden)

    Burbelko A.A.

    2012-12-01

    Full Text Available The mathematical model of the globular eutectic solidification in 2D was designed. Proposed model is based on the Cellular Automaton Finite Differences (CA-FD calculation method. Model has been used for studies of the primary austenite and of globular eutectic grains growth during the ductile iron solidification in the thin wall casting. Model takes into account, among other things, non-uniform temperature distribution in the casting wall cross-section, kinetics of the austenite and graphite grains nucleation, and non-equilibrium nature of the interphase boundary migration. Calculation of eutectic saturation influence (Sc = 0.9 - 1.1 on microstructure (austenite and graphite fraction, density of austenite and graphite grains and temperature curves in 2 mm wall ductile iron casting has been done.

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

    Science.gov (United States)

    Wu, Wei; Wang, Jin

    2013-09-28

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

  9. Photoactive energetic materials

    Science.gov (United States)

    Chavez, David E.; Hanson, Susan Kloek; Scharff, Robert Jason; Veauthier, Jacqueline Marie; Myers, Thomas Winfield

    2018-02-27

    Energetic materials that are photoactive or believed to be photoactive may include a conventional explosive (e.g. PETN, nitroglycerine) derivatized with an energetic UV-absorbing and/or VIS-absorbing chromophore such as 1,2,4,5-tetrazine or 1,3,5-triazine. Absorption of laser light having a suitably chosen wavelength may result in photodissociation, decomposition, and explosive release of energy. These materials may be used as ligands to form complexes. Coordination compounds include such complexes with counterions. Some having the formula M(L).sub.n.sup.2+ were synthesized, wherein M is a transition metal and L is a ligand and n is 2 or 3. These may be photoactive upon exposure to a laser light beam having an appropriate wavelength of UV light, near-IR and/or visible light. Photoactive materials also include coordination compounds bearing non-energetic ligands; in this case, the counterion may be an oxidant such as perchlorate.

  10. Study of Microstructure of the Al-Fe Alloys After Hot Rolling Deformation

    Science.gov (United States)

    Jabłońska, Magdalena Barbara; Rodak, Kinga; Bednarczyk, Iwona

    The aim of the paper is a microstructure analysis of alloys from the Al-Fe system after hot rolling tests, conducted by using a scanning transmission electron microscopy STEM and scanning electron microscope equipped with EBSD detector. Hot rolling was carried out at Technical University of Ostrava, Faculty of Metallurgy and Material Engineering, Institute of Modelling and Control of Forming Processes. The samples were heated to a temperature of 1200°C. The EBSD and STEM techniques have been applied in order to determine the influence of chemical composition and deformation parameters on structural changes. The microstructure analysis has included parameters such us: grain/sub-grain size, area fraction of grains/subgrains, misorientation angles, grains/subgrains shape aspect ratio and dislocations structure. The research structure techniques in scanning-transmission electron microscopy revealed numerous FeAl28 alloy phase separations of secondary nucleating sites favoured energetically, which are the boundary of grains/subgrains and dislocations. These changes in the structure of the test results have been confirmed by EBSD, which revealed the presence of grains/subgrains misorientation angle boundaries above 15°.

  11. 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.

  12. A survey of upwind methods for flows with equilibrium and non-equilibrium chemistry and thermodynamics

    Science.gov (United States)

    Grossman, B.; Garrett, J.; Cinnella, P.

    1989-01-01

    Several versions of flux-vector split and flux-difference split algorithms were compared with regard to general applicability and complexity. Test computations were performed using curve-fit equilibrium air chemistry for an M = 5 high-temperature inviscid flow over a wedge, and an M = 24.5 inviscid flow over a blunt cylinder for test computations; for these cases, little difference in accuracy was found among the versions of the same flux-split algorithm. For flows with nonequilibrium chemistry, the effects of the thermodynamic model on the development of flux-vector split and flux-difference split algorithms were investigated using an equilibrium model, a general nonequilibrium model, and a simplified model based on vibrational relaxation. Several numerical examples are presented, including nonequilibrium air chemistry in a high-temperature shock tube and nonequilibrium hydrogen-air chemistry in a supersonic diffuser.

  13. 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)

  14. 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

  15. 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

  16. PREFACE: International Symposium on Non-Equilibrium Soft Matter 2010 International Symposium on Non-Equilibrium Soft Matter 2010

    Science.gov (United States)

    Kawakatsu, T.; Matsuyama, A.; Ohta, T.; Tanaka, H.; Tanaka, S.

    2011-07-01

    Soft matter is a rapidly growing interdisciplinary research field covering a range of subject areas including physics, chemistry, biology, mathematics and engineering. Some of the important universal features of these materials are their mesoscopic structures and their dynamics. Due to the existence of such large-scale structures, which nevertheless exhibit interactions of the order of the thermal energy, soft matter can readily be taken out of equilibrium by imposing a weak external field such as an electric field, a mechanical stress or a shear flow. The importance of the coexistence of microscopic molecular dynamics and the mesoscopic/macroscopic structures and flows requires us to develop hierarchical approaches to understand the nonlinear and nonequilibrium phenomena, which is one of the central issues of current soft matter research. This special section presents selected contributions from the 'International Symposium on Non-Equilibrium Soft Matter 2010' held from 17-20 August 2010 in Nara, Japan, which aimed to describe recent advances in soft matter research focusing especially on its nonequilibrium aspects. The topics discussed cover statics and dynamics of a wide variety of materials ranging from traditional soft matter like polymers, gels, emulsions, liquid crystals and colloids to biomaterials such as biopolymers and biomembranes. Among these studies, we highlighted the physics of biomembranes and vesicles, which has attracted great attention during the last decade; we organized a special session for this active field. The work presented in this issue deals with (1) structure formation in biomembranes and vesicles, (2) rheology of polymers and gels, (3) mesophases in block copolymers, (4) mesoscopic structures in liquid crystals and ionic liquids, and (5) nonequilibrium dynamics. This symposium was organized as part of a research project supported by the Grant-in-Aid for the priority area 'Soft Matter Physics' (2006-2010) from the Ministry of Education

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

    International Nuclear Information System (INIS)

    Hyldgaard, P

    2012-01-01

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

  18. Non-equilibrium Economics

    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.

  19. 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)

  20. Study on penetration-induced initiation of energetic fragment

    Science.gov (United States)

    Qiao, Xiangxin; Xu, Heyang

    2017-09-01

    In order to investigate penetration-induced initiation of energetic fragment penetrating target, PTFE/Al (mass ratio 73.5/26.5) pressed and sintered into a Ф8mm × 8mm cylinder. To form energetic fragment, the cylinder was put into a closed container made by 35CrMnSiA. The container is 12mm long, 2mm thick. Energetic fragments were launched by a 14.5mm ballistic gun with a series of velocities and the penetrate process was simulated by AUTODYN-3D. The results show that the stress peak of energetic material exceed the initiation threshold, and energetic material will deflagrate, when energetic fragments impact velocity more than 800 m/s. The research results can provide reference for designs of energetic warhead.

  1. 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 .

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

    Science.gov (United States)

    Sobolev, S. L.

    2018-02-01

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

  3. Microstructural development in equiatomic multicomponent alloys

    International Nuclear Information System (INIS)

    Cantor, B.; Chang, I.T.H.; Knight, P.; Vincent, A.J.B.

    2004-01-01

    Multicomponent alloys containing several components in equal atomic proportions have been manufactured by casting and melt spinning, and their microstructures and properties have been investigated by a combination of optical microscopy, scanning electron microscopy, electron probe microanalysis, X-ray diffractrometry and microhardness measurements. Alloys containing 16 and 20 components in equal proportions are multiphase, crystalline and brittle both as-cast and after melt spinning. A five component Fe 20 Cr 20 Mn 20 Ni 20 Co 20 alloy forms a single fcc solid solution which solidifies dendritically. A wide range of other six to nine component late transition metal rich multicomponent alloys exhibit the same majority fcc primary dendritic phase, which can dissolve substantial amounts of other transition metals such as Nb, Ti and V. More electronegative elements such as Cu and Ge are less stable in the fcc dendrites and are rejected into the interdendritic regions. The total number of phases is always well below the maximum equilibrium number allowed by the Gibbs phase rule, and even further below the maximum number allowed under non-equilibrium solidification conditions. Glassy structures are not formed by casting or melt spinning of late transition metal rich multicomponent alloys, indicating that the confusion principle does not apply, and other factors are more important in promoting glass formation

  4. Nonequilibrium effects and structure of X-ray lines in tokamak plasma

    Science.gov (United States)

    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.

  5. Mammalian energetics. Flexible energetics of cheetah hunting strategies provide resistance against kleptoparasitism.

    Science.gov (United States)

    Scantlebury, David M; Mills, Michael G L; Wilson, Rory P; Wilson, John W; Mills, Margaret E J; Durant, Sarah M; Bennett, Nigel C; Bradford, Peter; Marks, Nikki J; Speakman, John R

    2014-10-03

    Population viability is driven by individual survival, which in turn depends on individuals balancing energy budgets. As carnivores may function close to maximum sustained power outputs, decreased food availability or increased activity may render some populations energetically vulnerable. Prey theft may compromise energetic budgets of mesopredators, such as cheetahs and wild dogs, which are susceptible to competition from larger carnivores. We show that daily energy expenditure (DEE) of cheetahs was similar to size-based predictions and positively related to distance traveled. Theft at 25% only requires cheetahs to hunt for an extra 1.1 hour per day, increasing DEE by just 12%. Therefore, not all mesopredators are energetically constrained by direct competition. Other factors that increase DEE, such as those that increase travel, may be more important for population viability. Copyright © 2014, American Association for the Advancement of Science.

  6. 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

  7. The Impact of Nonequilibrium and Equilibrium Fractionation on Two Different Deuterium Excess Definitions

    Science.gov (United States)

    Dütsch, Marina; Pfahl, Stephan; Sodemann, Harald

    2017-12-01

    The deuterium excess (d) is a useful measure for nonequilibrium effects of isotopic fractionation and can therefore provide information about the meteorological conditions in evaporation regions or during ice cloud formation. In addition to nonequilibrium fractionation, two other effects can change d during phase transitions. The first is the dependence of the equilibrium fractionation factors on temperature, and the second is the nonlinearity of the δ scale on which d is defined. The second effect can be avoided by using an alternative definition that is based on the logarithmic scale. However, in this case d is not conserved when air parcels mix, which can lead to changes without phase transitions. Here we provide a systematic analysis of the benefits and limitations of both deuterium excess definitions by separately quantifying the impact of the nonequilibrium effect, the temperature effect, the δ-scale effect, and the mixing effect in a simple Rayleigh model simulating the isotopic composition of air parcels during moist adiabatic ascent. The δ-scale effect is important in depleted air parcels, for which it can change the sign of the traditional deuterium excess in the remaining vapor from negative to positive. The alternative definition mainly reflects the nonequilibrium and temperature effect, while the mixing effect is about 2 orders of magnitude smaller. Thus, the alternative deuterium excess definition appears to be a more accurate measure for nonequilibrium effects in situations where moisture is depleted and the δ-scale effect is large, for instance, at high latitudes or altitudes.

  8. Stochastic Stirling Engine Operating in Contact with Active Baths

    Directory of Open Access Journals (Sweden)

    Ruben Zakine

    2017-04-01

    Full Text Available A Stirling engine made of a colloidal particle in contact with a nonequilibrium bath is considered and analyzed with the tools of stochastic energetics. We model the bath by non Gaussian persistent noise acting on the colloidal particle. Depending on the chosen definition of an isothermal transformation in this nonequilibrium setting, we find that either the energetics of the engine parallels that of its equilibrium counterpart or, in the simplest case, that it ends up being less efficient. Persistence, more than non-Gaussian effects, are responsible for this result.

  9. Stochastic Stirling Engine Operating in Contact with Active Baths

    Science.gov (United States)

    Zakine, Ruben; Solon, Alexandre; Gingrich, Todd; van Wijland, Frédéric

    2017-04-01

    A Stirling engine made of a colloidal particle in contact with a nonequilibrium bath is considered and analyzed with the tools of stochastic energetics. We model the bath by non Gaussian persistent noise acting on the colloidal particle. Depending on the chosen definition of an isothermal transformation in this nonequilibrium setting, we find that either the energetics of the engine parallels that of its equilibrium counterpart or, in the simplest case, that it ends up being less efficient. Persistence, more than non Gaussian effects, are responsible for this result.

  10. 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.

  11. 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

  12. X-RAY SIGNATURES OF NON-EQUILIBRIUM IONIZATION EFFECTS IN GALAXY CLUSTER ACCRETION SHOCK REGIONS

    International Nuclear Information System (INIS)

    Wong, Ka-Wah; Sarazin, Craig L.; Ji Li

    2011-01-01

    The densities in the outer regions of clusters of galaxies are very low, and the collisional timescales are very long. As a result, heavy elements will be under-ionized after they have passed through the accretion shock. We have studied systematically the effects of non-equilibrium ionization for relaxed clusters in the ΛCDM cosmology using one-dimensional hydrodynamic simulations. We found that non-equilibrium ionization effects do not depend on cluster mass, but depend strongly on redshift which can be understood by self-similar scaling arguments. The effects are stronger for clusters at lower redshifts. We present X-ray signatures such as surface brightness profiles and emission lines in detail for a massive cluster at low redshift. In general, soft emission (0.3-1.0 keV) is enhanced significantly by under-ionization, and the enhancement can be nearly an order of magnitude near the shock radius. The most prominent non-equilibrium ionization signature we found is the O VII and O VIII line ratio. The ratios for non-equilibrium ionization and collisional ionization equilibrium models are different by more than an order of magnitude at radii beyond half of the shock radius. These non-equilibrium ionization signatures are equally strong for models with different non-adiabatic shock electron heating efficiencies. We have also calculated the detectability of the O VII and O VIII lines with the future International X-ray Observatory (IXO). Depending on the line ratio measured, we conclude that an exposure of ∼130-380 ks on a moderate-redshift, massive regular cluster with the X-ray Microcalorimeter Spectrometer (XMS) on the IXO will be sufficient to provide a strong test for the non-equilibrium ionization model.

  13. Non-equilibrium between ions and electrons inside hot spots from National Ignition Facility experiments

    Directory of Open Access Journals (Sweden)

    Zhengfeng Fan

    2017-01-01

    Full Text Available The non-equilibrium between ions and electrons in the hot spot can relax the ignition conditions in inertial confinement fusion [Fan et al., Phys. Plasmas 23, 010703 (2016], and obvious ion-electron non-equilibrium could be observed by our simulations of high-foot implosions when the ion-electron relaxation is enlarged by a factor of 2. On the other hand, in many shots of high-foot implosions on the National Ignition Facility, the observed X-ray enhancement factors due to ablator mixing into the hot spot are less than unity assuming electrons and ions have the same temperature [Meezan et al., Phys. Plasmas 22, 062703 (2015], which is not self-consistent because it can lead to negative ablator mixing into the hot spot. Actually, this non-consistency implies ion-electron non-equilibrium within the hot spot. From our study, we can infer that ion-electron non-equilibrium exists in high-foot implosions and the ion temperature could be ∼9% larger than the equilibrium temperature in some NIF shots.

  14. Non-Equilibrium Turbulence and Two-Equation Modeling

    Science.gov (United States)

    Rubinstein, Robert

    2011-01-01

    Two-equation turbulence models are analyzed from the perspective of spectral closure theories. Kolmogorov theory provides useful information for models, but it is limited to equilibrium conditions in which the energy spectrum has relaxed to a steady state consistent with the forcing at large scales; it does not describe transient evolution between such states. Transient evolution is necessarily through nonequilibrium states, which can only be found from a theory of turbulence evolution, such as one provided by a spectral closure. When the departure from equilibrium is small, perturbation theory can be used to approximate the evolution by a two-equation model. The perturbation theory also gives explicit conditions under which this model can be valid, and when it will fail. Implications of the non-equilibrium corrections for the classic Tennekes-Lumley balance in the dissipation rate equation are drawn: it is possible to establish both the cancellation of the leading order Re1/2 divergent contributions to vortex stretching and enstrophy destruction, and the existence of a nonzero difference which is finite in the limit of infinite Reynolds number.

  15. Two-temperature chemically non-equilibrium modelling of an air supersonic ICP

    Energy Technology Data Exchange (ETDEWEB)

    El Morsli, Mbark; Proulx, Pierre [Laboratoire de Modelisation de Procedes Chimiques par Ordinateur Oppus, Departement de Genie Chimique, Universite de Sherbrooke (Ciheam) J1K 2R1 (Canada)

    2007-08-21

    In this work, a non-equilibrium mathematical model for an air inductively coupled plasma torch with a supersonic nozzle is developed without making thermal and chemical equilibrium assumptions. Reaction rate equations are written, and two coupled energy equations are used, one for the calculation of the translational-rotational temperature T{sub hr} and one for the calculation of the electro-vibrational temperature T{sub ev}. The viscous dissipation is taken into account in the translational-rotational energy equation. The electro-vibrational energy equation also includes the pressure work of the electrons, the Ohmic heating power and the exchange due to elastic collision. Higher order approximations of the Chapman-Enskog method are used to obtain better accuracy for transport properties, taking advantage of the most recent sets of collisions integrals available in the literature. The results obtained are compared with those obtained using a chemical equilibrium model and a one-temperature chemical non-equilibrium model. The influence of the power and the pressure chamber on the chemical and thermal non-equilibrium is investigated.

  16. 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.

  17. Simulation and experimental investigation of mechanical and thermal non-equilibrium effect on choking flow at low pressure

    International Nuclear Information System (INIS)

    Yoon, H.J.; Ishii, M.; Revankar, S.T.

    2004-01-01

    The prediction of two-phase choking flow at low pressure (<1MPa) is much more difficult than at relatively higher pressure due to the large density ratio and relatively large thermal and mechanical non-equilibrium between the phases. At low pressure currently available choking flow models are not reliable and satisfactory. In view of this, separate effect tests were conducted to systematically investigate the effects of mechanical and thermal non-equilibrium on the two-phase choking flow in a pipe. The systematic studies is not available in literature, therefore no clear understanding of these effects has been attained until now. A scaled integral facility called PUMA was used for these tests with specific boundary condition with several unique in-;line instruments. The mechanical non-equilibrium effect was studied with air-water choking flow. Subcooled water two-phase choking flow was studied to identify the effects of mechanical and thermal non-equilibrium. A typical nozzle and orifice were used as the choking flow section to evaluate the degree of non-equilibrium due to geometry. The slip ratio, which is a key parameter to express the mechanical non-equilibrium, is obtained upstream of the choking section in the air-water test. The measured choking mass flux for the nozzle was higher than the orifice at low flow quality (<0.05) for the same upstream flow quality indicating that there is a strong mechanical non-equilibrium at the choking plane. The thermal non-equilibrium effect was very strong at low pressure, however, no major influence of the geometry on this effect was observed. Experimental data were compared with RELAP5/MOD3.2.1.2, MOD3.3 beta and TRAC-M code predictions. The code predictions in general were not in agreement with the air-water choking flow test data. This indicated that the mechanical non-equilibrium effects were not properly modeled in the codes. The test data for subcooled water showed moderate decrease of choking mass flux with decrease

  18. Shape characteristics of equilibrium and non-equilibrium fractal clusters.

    Science.gov (United States)

    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

  19. Effects of antidiuretic hormone on kinetic and energetic determinants of active sodium transport in frog skin.

    Science.gov (United States)

    Lau, Y T; Lang, M A; Essig, A

    1981-10-02

    The effects of antidiuretic hormone (ADH) on the rate of transepithelial active Na transport JaNa and the rate of suprabasal O2 consumption of Jsbr were studied in paired hemiskins of frog. Within some 30 min following administration of ADH both JaNa and Jsbr increased to near-maximal levels and then remained stable for at least an hour. On symmetric perturbation of the transepithelial electrical potential delta psi at 6-min intervals, the dependence of JaNa and Jsbr on delta psi was near-linear, both in control and experimental hemi-skins. The stability and near-linearity of the system permitted systematic analysis of the parameters of linear non-equilibrium thermodynamic (NET) and electrical equivalent circuit (EC) formulations. ADH (100 mU/ml) stimulated two of the three NET phenomenological L coefficients, as well as A, the affinity (negative Gibbs free energy) of a metabolic reaction driving transport. Observations at partially depressed levels of transport indicated that the effects of kinetic and energetic factors are to some extent discrete. EC analysis showed stimulation of the amiloride-sensitive conductance Ka, but not of the apparent electromitive force of Na transport 'ENa'. Similar effects were produced by 10 mU/ml of ADH or by 10 mM dibutyryl cyclic AMP, although less marked effects on the L coefficients were noted with the lower concentration of hormone. It is suggested that, in contrast to EC analysis, the NET formulation distinguishes between kinetic and energetic determinants of transport, supporting a dual mechanism of action of ADH.

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

    International Nuclear Information System (INIS)

    Bresme, F.; Armstrong, J.

    2014-01-01

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

  1. The structure and dynamics of energetic displacement cascades in Cu and Ni. A molecular dynamics computer simulation study

    International Nuclear Information System (INIS)

    Diaz de la Rubia, T.

    1989-01-01

    The primary state of damage present in a solid as a result of particle irradiation has been a topic of interest to the physics and materials research community over the last forty years. Energetic displacement cascades resulting from the heavy ion irradiation of a solid play a prominent role in radiation damage and non-equilibrium processing of materials; however, their study has been hampered by the small size (∼10 -20 cm 3 ) and short lifetime (∼10 -11 s) as well as by their highly non-homogeneous nature. In this work, the molecular dynamics computer simulation technique is employed to study the structure and dynamics of energetic displacement cascades in Cu and Ni. The atomic interactions in Cu were described with the use of the Gibson II form of the Born-Mayer pair potential while for Ni the Johnson-Erginsoy pair potential was employed. Calculations were also carried out with the use of the embedded atom method many-body potentials. The results provide the first detailed microscopic description of the evolution of the cascade. The author shows for the first time, that a process akin to melting takes place in the core of the cascade. Atomic mixing, point defect production and point defect agglomeration, all processes directly related to the evolution of the cascade, are then explained in terms of a simple model in which the liquid-like nature of the cascade plays a dominant role in determining the primary state of damage

  2. Supersymmetric Field Theory of Non-Equilibrium Thermodynamic System

    OpenAIRE

    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.

  3. Nonequilibrium Molecular Energy Coupling and Conversion Mechanisms

    Science.gov (United States)

    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

  4. Ward identity for non-equilibrium Fermi systems

    Czech Academy of Sciences Publication Activity Database

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

    2008-01-01

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

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

    International Nuclear Information System (INIS)

    Roh, Heui-Seol

    2015-01-01

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

  6. Nonequilibrium Distribution of the Microscopic Thermal Current in Steady Thermal Transport Systems

    KAUST Repository

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

    2010-01-01

    Nonequilibrium distribution of the microscopic thermal current is investigated by direct molecular dynamics simulations. The microscopic thermal current in this study is defined by a flow of kinetic energy carried by a single particle. Asymptotic parallel and antiparallel tails of the nonequilibrium distribution to an average thermal current are identical to ones of equilibrium distribution with different temperatures. These temperatures characterizing the tails are dependent on a characteristic length in which a memory of dynamics is completely erased by several particle collisions. This property of the tails of nonequilibrium distribution is confirmed in other thermal transport systems. In addition, statistical properties of a particle trapped by a harmonic potential in a steady thermal conducting state are also studied. This particle feels a finite force parallel to the average thermal current as a consequence of the skewness of the distribution of the current. This force is interpreted as the microscopic origin of thermophoresis.

  7. Rural energetic development: cuban experience

    International Nuclear Information System (INIS)

    Aguilera Barciela, M.

    1994-01-01

    The development of electro energetic national system in Cuba has been directed to the following objectives: to brake the rural population's exodus toward the cities, electrification of dairy farm, interconnection to the system electro energetic of all the sugar central production, these improves the rural population's conditions life

  8. Nonequilibrium free diffusion in seed leachate

    Science.gov (United States)

    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.

  9. Effect of nonequilibrium degree on separation factor in carbon isotope separation by CO2 microwave discharge

    International Nuclear Information System (INIS)

    Masaaki Suzuki; Shinsuke Mori; Noritaka Matsumoto; Hiroshi Akatsuka

    1999-01-01

    The local separation factor and the local nonequilibrium degree just behind the plasma region were obtained. The plasma gas compositions measured by the enthalpy probe system were substantially thermodynamic nonequilibrium conditions, when the input energy was 4 J/cm 3 . The measured maximum value of the separation factor was 1.01, although it changed locally. The measured separation factor and its nonequilibrium condition were discussed. Anyway, the only small value obtained in this experiments is similar to the recent data obtained by Kurchatov group and is less than published data, which is measured spectroscopically [ru

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

    International Nuclear Information System (INIS)

    Arimitsu, Toshihico

    1988-01-01

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

  11. Non-equilibrium umbrella sampling applied to force spectroscopy of soft matter.

    Science.gov (United States)

    Gao, Y X; Wang, G M; Williams, D R M; Williams, Stephen R; Evans, Denis J; Sevick, E M

    2012-02-07

    Physical systems often respond on a timescale which is longer than that of the measurement. This is particularly true in soft matter where direct experimental measurement, for example in force spectroscopy, drives the soft system out of equilibrium and provides a non-equilibrium measure. Here we demonstrate experimentally for the first time that equilibrium physical quantities (such as the mean square displacement) can be obtained from non-equilibrium measurements via umbrella sampling. Our model experimental system is a bead fluctuating in a time-varying optical trap. We also show this for simulated force spectroscopy on a complex soft molecule--a piston-rotaxane.

  12. 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)

  13. Adsorption of hydrogen isotopes by metals in non-equilibrium conditions

    International Nuclear Information System (INIS)

    Livshits, A.I.; Notkin, M.E.; Pustovojt, Yu.M.

    1982-01-01

    To study the interaction of thermonuclear plasma and additions with metallic walls, nonequilibrium system of thermal atomary hydrogen - ''cold'' (300-1100 K) metal is experimentally investigated. Atomary hydrogen was feeded to samples of Ni and Pd in the shape of atomic beam, coming into vacuum from high-frequency gaseous discharge. It is shown that hydrogen solubility under nonequilibrium conditions increases with surface passivation (contamination); in this case it surpasses equilibrium solubility by value orders. Nickel and iron dissolve more hydrogen than palladium at a certain state of surface ( passivation) and gas (atomary hydrogen). The sign of the temperature dependence of hydrogen solubility in passivated N 1 and Fe changes when alterating molecular hydrogen by atomary hydrogen

  14. 14th International Conference on Nonequilibrium Carrier Dynamics in Semiconductors

    CERN Document Server

    Saraniti, M; Nonequilibrium Carrier Dynamics in Semiconductors

    2006-01-01

    International experts gather every two years at this established conference to discuss recent developments in theory and experiment in non-equilibrium transport phenomena. These developments have been the driving force behind the spectacular advances in semiconductor physics and devices over the last few decades. Originally known as "Hot Carriers in Semiconductors," the 14th conference in the series covered a wide spectrum of traditional topics dealing with non-equilibrium phenomena, ranging from quantum transport to optical phenomena in mesoscopic and nano-scale structures. Particular attention was given this time to emerging areas of this rapidly evolving field, with many sessions covering terahertz devices, high field transport in nitride semiconductors, spintronics, molecular electronics, and bioelectronics applications.

  15. Modeling the nonequilibrium effects in a nonquasi-equilibrium thermodynamic cycle based on steepest entropy ascent and an isothermal-isobaric ensemble

    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.

  16. Properties and Microstructure of Laser Welded VM12-SHC Steel Pipes Joints

    Directory of Open Access Journals (Sweden)

    Skrzypczyk A.

    2016-06-01

    Full Text Available Paper presents results of microstructure and tests of welded joints of new generation VM12-SHC martensitic steel using high power CO2 laser (LBW method with bifocal welding head. VM12-SHC is dedicated to energetic installation material, designed to replace currently used. High content of chromium and others alloying elements improve its resistance and strength characteristic. Use of VM12-SHC steel for production of the superheaters, heating chambers and walls in steam boilers resulted in various weldability researches. In article are presented results of destructive and non-destructive tests. For destructive: static bending and Vickers hardness tests, and for non-destructive: VT, RT, UT, micro and macroscopic tests were performed.

  17. 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)

  18. 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...

  19. 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

  20. Phase transition universality classes of classical, nonequilibrium systems

    CERN Document Server

    Ódor, G

    2004-01-01

    In the first chapter I summarize the most important critical exponents and relations used in this work. In the second chapter I briefly address the question of scaling behavior at first order phase transitions.In chapter three I review dynamical extensions of basic static classes, show the effect of mixing dynamics and percolation behavior. The main body of this work is given in chapter four where genuine, dynamical universality classes specific to nonequilibrium systems are introduced. In chapter five I continue overviewing such nonequilibrium classes but in coupled, multi-component systems. Most of known transitions in low dimensional systems are between active and absorbing states of reaction-diffusion type systems, but I briefly introduce related classes that appear in interface growth models in chapter six. Some of them are related to critical behavior of coupled, multi-component systems. Finally in chapter seven I summarize families of absorbing state system classes, mean-field classes and the most freq...

  1. 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

  2. The location of energetic compartments affects energetic communication in cardiomyocytes

    Directory of Open Access Journals (Sweden)

    Rikke eBirkedal

    2014-09-01

    Full Text Available The heart relies on accurate regulation of mitochondrial energy supply to match energy demand. The main regulators are Ca2+ and feedback of ADP and Pi. Regulation via feedback has intrigued for decades. First, the heart exhibits a remarkable metabolic stability. Second, diffusion of ADP and other molecules is restricted specifically in heart and red muscle, where a fast feedback is needed the most. To explain the regulation by feedback, compartmentalization must be taken into account. Experiments and theoretical approaches suggest that cardiomyocyte energetic compartmentalization is elaborate with barriers obstructing diffusion in the cytosol and at the level of the mitochondrial outer membrane (MOM. A recent study suggests the barriers are organized in a lattice with dimensions in agreement with those of intracellular structures. Here, we discuss the possible location of these barriers. The more plausible scenario includes a barrier at the level of MOM. Much research has focused on how the permeability of MOM itself is regulated, and the importance of the creatine kinase system to facilitate energetic communication. We hypothesize that at least part of the diffusion restriction at the MOM level is not by MOM itself, but due to the close physical association between the sarcoplasmic reticulum (SR and mitochondria. This will explain why animals with a disabled creatine kinase system exhibit rather mild phenotype modifications. Mitochondria are hubs of energetics, but also ROS production and signaling. The close association between SR and mitochondria may form a diffusion barrier to ADP added outside a permeabilised cardiomyocyte. But in vivo, it is the structural basis for the mitochondrial-SR coupling that is crucial for the regulation of mitochondrial Ca2+-transients to regulate energetics, and for avoiding Ca2+-overload and irreversible opening of the mitochondrial permeability transition pore.

  3. Effect of non-equilibrium flow chemistry and surface catalysis on surface heating to AFE

    Science.gov (United States)

    Stewart, David A.; Henline, William D.; Chen, Yih-Kanq

    1991-01-01

    The effect of nonequilibrium flow chemistry on the surface temperature distribution over the forebody heat shield on the Aeroassisted Flight Experiment (AFE) vehicle was investigated using a reacting boundary-layer code. Computations were performed by using boundary-layer-edge properties determined from global iterations between the boundary-layer code and flow field solutions from a viscous shock layer (VSL) and a full Navier-Stokes solution. Surface temperature distribution over the AFE heat shield was calculated for two flight conditions during a nominal AFE trajectory. This study indicates that the surface temperature distribution is sensitive to the nonequilibrium chemistry in the shock layer. Heating distributions over the AFE forebody calculated using nonequilibrium edge properties were similar to values calculated using the VSL program.

  4. Dynamics of nonequilibrium conductivity of dielectrics with polaration properties controlled by in ection

    International Nuclear Information System (INIS)

    Arkhipov, V.I.; Rudenko, A.I.

    1979-01-01

    The effect of changes of radiation stimulation permittivity on nonequilibrium conductivity of dielectrics and high-resistance conductors in a radiation field has been studied theoretically. The plane-parallel sample under the constant voltage has been irradiated by penetrating radiation. The uniform radiation caused the transfer the current carriers from traps to the conduction band. The dependence of permittivity on charged traps concentration is shown to lead to negative nonequilibrium conductivity of high-resistance materials

  5. Stochastic pumping of non-equilibrium steady-states: how molecules adapt to a fluctuating environment.

    Science.gov (United States)

    Astumian, R D

    2018-01-11

    In the absence of input energy, a chemical reaction in a closed system ineluctably relaxes toward an equilibrium state governed by a Boltzmann distribution. The addition of a catalyst to the system provides a way for more rapid equilibration toward this distribution, but the catalyst can never, in and of itself, drive the system away from equilibrium. In the presence of external fluctuations, however, a macromolecular catalyst (e.g., an enzyme) can absorb energy and drive the formation of a steady state between reactant and product that is not determined solely by their relative energies. Due to the ubiquity of non-equilibrium steady states in living systems, the development of a theory for the effects of external fluctuations on chemical systems has been a longstanding focus of non-equilibrium thermodynamics. The theory of stochastic pumping has provided insight into how a non-equilibrium steady-state can be formed and maintained in the presence of dissipation and kinetic asymmetry. This effort has been greatly enhanced by a confluence of experimental and theoretical work on synthetic molecular machines designed explicitly to harness external energy to drive non-equilibrium transport and self-assembly.

  6. 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

  7. Equilibrium and non-equilibrium phenomena in arcs and torches

    NARCIS (Netherlands)

    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.

  8. The Principle of Energetic Consistency

    Science.gov (United States)

    Cohn, Stephen E.

    2009-01-01

    A basic result in estimation theory is that the minimum variance estimate of the dynamical state, given the observations, is the conditional mean estimate. This result holds independently of the specifics of any dynamical or observation nonlinearity or stochasticity, requiring only that the probability density function of the state, conditioned on the observations, has two moments. For nonlinear dynamics that conserve a total energy, this general result implies the principle of energetic consistency: if the dynamical variables are taken to be the natural energy variables, then the sum of the total energy of the conditional mean and the trace of the conditional covariance matrix (the total variance) is constant between observations. Ensemble Kalman filtering methods are designed to approximate the evolution of the conditional mean and covariance matrix. For them the principle of energetic consistency holds independently of ensemble size, even with covariance localization. However, full Kalman filter experiments with advection dynamics have shown that a small amount of numerical dissipation can cause a large, state-dependent loss of total variance, to the detriment of filter performance. The principle of energetic consistency offers a simple way to test whether this spurious loss of variance limits ensemble filter performance in full-blown applications. The classical second-moment closure (third-moment discard) equations also satisfy the principle of energetic consistency, independently of the rank of the conditional covariance matrix. Low-rank approximation of these equations offers an energetically consistent, computationally viable alternative to ensemble filtering. Current formulations of long-window, weak-constraint, four-dimensional variational methods are designed to approximate the conditional mode rather than the conditional mean. Thus they neglect the nonlinear bias term in the second-moment closure equation for the conditional mean. The principle of

  9. 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

  10. Second School of Nuclear Energetics

    International Nuclear Information System (INIS)

    2009-01-01

    At 3-5 Nov 2009 Institute of Nuclear Energy POLATOM, Association of Polish Electrical Engineers (SEP) and Polish Nuclear Society have organized Second School of Nuclear Energetics. 165 participants have arrived from all Poland and represented both different central institutions (e.g. ministries) and local institutions (e.g. Office of Technical Inspection, The Voivodship Presidential Offices, several societies, consulting firms or energetic enterprises). Students from the Warsaw Technical University and Gdansk Technical University, as well as the PhD students from the Institute of Nuclear Chemistry and Technology (Warsaw) attended the School. 20 invited lectures presented by eminent Polish specialists concerned basic problems of nuclear energetics, nuclear fuel cycle and different problems of the NPP construction in Poland. [pl

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

    Directory of Open Access Journals (Sweden)

    Akira Takada

    2018-03-01

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

  12. Self-organization of dissipative and coherent vortex structures in non-equilibrium magnetized two-dimensional plasmas

    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.

  13. Non-equilibrium hydrogen ionization in 2D simulations of the solar atmosphere

    Science.gov (United States)

    Leenaarts, J.; Carlsson, M.; Hansteen, V.; Rutten, R. J.

    2007-10-01

    Context: The ionization of hydrogen in the solar chromosphere and transition region does not obey LTE or instantaneous statistical equilibrium because the timescale is long compared with important hydrodynamical timescales, especially of magneto-acoustic shocks. Since the pressure, temperature, and electron density depend sensitively on hydrogen ionization, numerical simulation of the solar atmosphere requires non-equilibrium treatment of all pertinent hydrogen transitions. The same holds for any diagnostic application employing hydrogen lines. Aims: To demonstrate the importance and to quantify the effects of non-equilibrium hydrogen ionization, both on the dynamical structure of the solar atmosphere and on hydrogen line formation, in particular Hα. Methods: We implement an algorithm to compute non-equilibrium hydrogen ionization and its coupling into the MHD equations within an existing radiation MHD code, and perform a two-dimensional simulation of the solar atmosphere from the convection zone to the corona. Results: Analysis of the simulation results and comparison to a companion simulation assuming LTE shows that: a) non-equilibrium computation delivers much smaller variations of the chromospheric hydrogen ionization than for LTE. The ionization is smaller within shocks but subsequently remains high in the cool intershock phases. As a result, the chromospheric temperature variations are much larger than for LTE because in non-equilibrium, hydrogen ionization is a less effective internal energy buffer. The actual shock temperatures are therefore higher and the intershock temperatures lower. b) The chromospheric populations of the hydrogen n = 2 level, which governs the opacity of Hα, are coupled to the ion populations. They are set by the high temperature in shocks and subsequently remain high in the cool intershock phases. c) The temperature structure and the hydrogen level populations differ much between the chromosphere above photospheric magnetic elements

  14. Edge Singularities and Quasilong-Range Order in Nonequilibrium Steady States

    Science.gov (United States)

    De Nardis, Jacopo; Panfil, Miłosz

    2018-05-01

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

  15. Non-equilibrium effects on the two-phase flow critical phenomenon

    International Nuclear Information System (INIS)

    Sami, S.M.

    1988-01-01

    In the present study, the choking criterion for nonhomogeneous nonequilibrium two phase flow is obtained by solving the two-fluid model conservation equations. The method of characteristics is employed to predict the critical flow conditions. Critical flow is established after the magnitude of the characteristic slopes (velocities). Critical flow conditions are reached when the smallest characteristic slope becomes equal to zero. Several expression are developed to determine the nonequilibrium mass and heat exchanges in terms of the system dependent parameters derivatives. In addition, comprehensive transition flow regime maps are employed in the calculation of interfacial heat and momentum transfer rates. Numerical results reveal that the proposed model reliably predicts the critical two-phase flow phenomenon under different inlet conditions and compares well with other existing models

  16. Microstructure taxonomy based on spatial correlations: Application to microstructure coarsening

    International Nuclear Information System (INIS)

    Fast, Tony; Wodo, Olga; Ganapathysubramanian, Baskar; Kalidindi, Surya R.

    2016-01-01

    To build materials knowledge, rigorous description of the material structure and associated tools to explore and exploit information encoded in the structure are needed. These enable recognition, categorization and identification of different classes of microstructure and ultimately enable to link structure with properties of materials. Particular interest lies in the protocols capable of mining the essential information in large microstructure datasets and building robust knowledge systems that can be easily accessed, searched, and shared by the broader materials community. In this paper, we develop a protocol based on automated tools to classify microstructure taxonomies in the context of coarsening behavior which is important for long term stability of materials. Our new concepts for enhanced description of the local microstructure state provide flexibility of description. The mathematical description of microstructure that capture crucial attributes of the material, although central to building materials knowledge, is still elusive. The new description captures important higher order spatial information, but at the same time, allows down sampling if less information is needed. We showcase the classification protocol by studying coarsening of binary polymer blends and classifying steady state structures. We study several microstructure descriptions by changing the microstructure local state order and discretization and critically evaluate their efficacy. Our analysis revealed the superior properties of microstructure representation is based on the first order-gradient of the atomic fraction.

  17. Direct approach for the fluctuation-dissipation theorem under nonequilibrium steady-state conditions

    Science.gov (United States)

    Komori, Kentaro; Enomoto, Yutaro; Takeda, Hiroki; Michimura, Yuta; Somiya, Kentaro; Ando, Masaki; Ballmer, Stefan W.

    2018-05-01

    The test mass suspensions of cryogenic gravitational-wave detectors such as the KAGRA project are tasked with extracting the heat deposited on the optics. These suspensions have a nonuniform temperature, requiring the calculation of thermal noise in nonequilibrium conditions. While it is not possible to describe the whole suspension system with one temperature, the local temperature at every point in the system is still well defined. We therefore generalize the application of the fluctuation-dissipation theorem to mechanical systems, pioneered by Saulson and Levin, to nonequilibrium conditions in which a temperature can only be defined locally. The result is intuitive in the sense that the thermal noise in the observed degree of freedom is given by averaging the temperature field, weighted by the dissipation density associated with that particular degree of freedom. After proving this theorem, we apply the result to examples of increasing complexity: a simple spring, the bending of a pendulum suspension fiber, and a model of the KAGRA cryogenic suspension. We conclude by outlining the application to nonequilibrium thermoelastic noise.

  18. Physical mechanism for biopolymers to aggregate and maintain in non-equilibrium states.

    Science.gov (United States)

    Ma, Wen-Jong; Hu, Chin-Kun

    2017-06-08

    Many human or animal diseases are related to aggregation of proteins. A viable biological organism should maintain in non-equilibrium states. How protein aggregate and why biological organisms can maintain in non-equilibrium states are not well understood. As a first step to understand such complex systems problems, we consider simple model systems containing polymer chains and solvent particles. The strength of the spring to connect two neighboring monomers in a polymer chain is controlled by a parameter s with s → ∞ for rigid-bond. The strengths of bending and torsion angle dependent interactions are controlled by a parameter s A with s A  → -∞ corresponding to no bending and torsion angle dependent interactions. We find that for very small s A , polymer chains tend to aggregate spontaneously and the trend is independent of the strength of spring. For strong springs, the speed distribution of monomers in the parallel (along the direction of the spring to connect two neighboring monomers) and perpendicular directions have different effective temperatures and such systems are in non-equilibrium states.

  19. Nonequilibrium statistical physics of small systems: fluctuation relations and beyond (annual reviews of nonlinear dynamics and complexity (vch))

    CERN Document Server

    2013-01-01

    This book offers a comprehensive picture of nonequilibrium phenomena in nanoscale systems. Written by internationally recognized experts in the field, this book strikes a balance between theory and experiment, and includes in-depth introductions to nonequilibrium fluctuation relations, nonlinear dynamics and transport, single molecule experiments, and molecular diffusion in nanopores. The authors explore the application of these concepts to nano- and biosystems by cross-linking key methods and ideas from nonequilibrium statistical physics, thermodynamics, stochastic theory, and dynamical s

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

    Directory of Open Access Journals (Sweden)

    Ramon F. Alvarez-Estrada

    2012-02-01

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

  1. Energetic map

    International Nuclear Information System (INIS)

    2012-01-01

    This report explains the energetic map of Uruguay as well as the different systems that delimits political frontiers in the region. The electrical system importance is due to the electricity, oil and derived , natural gas, potential study, biofuels, wind and solar energy

  2. Nonequilibrium Phase Transitions Associated with DNA Replication

    Science.gov (United States)

    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

  3. 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 ...

  4. Economical aspects of nuclear energetics

    International Nuclear Information System (INIS)

    Celinski, Z.

    2000-01-01

    The economical aspects of nuclear power generation in respect to costs of conventional energetics have been discussed in detail. The costs and competitiveness of nuclear power have been considered on the base of worldwide trends taking into account investment and fuel costs as well as 'social' costs being result of impact of different types of energetics on environment, human health etc

  5. Energetic Sustainability and the Environment: A Transdisciplinary, Economic–Ecological Approach

    Directory of Open Access Journals (Sweden)

    Ioan G. Pop

    2017-05-01

    Full Text Available The paper combines original concepts about eco-energetic systems, in a transdisciplinary sustainable context. Firstly, it introduces the concept of M.E.N. (Mega-Eco-Nega-Watt, the eco-energetic paradigm based on three different but complementary ecological economic spaces: the Megawatt as needed energy, the Ecowatt as ecological energy, and the Negawatt as preserved energy. The paper also deals with the renewable energies and technologies in the context of electrical energy production. Secondly, in the context of the M.E.N. eco-energetic paradigm, comprehensive definitions are given about eco-energetic systems and for pollution. Thirdly, the paper introduces a new formula for the eco-energetic efficiency which correlates the energetic efficiency of the system and the necessary newly defined ecological coefficient. The proposed formula for eco-energetic efficiency enables an interesting form of relating to different situations in which the input energy, output energy, lost energy, and externalities involved in an energetic process, interact to produce energy in a specific energetic system, in connection with the circular resilient economy model. Finally, the paper presents an original energetic diagram to explain different channels to produce electricity in a resilience regime, with high eco-energetic efficiency from primary external energetic sources (gravitation and solar sources, fuels (classical and radioactive, internal energetic sources (geothermal, volcanoes and other kind of sources. Regardless the kind of energetic sources used to obtain electricity, the entire process should be sustainable in what concerns the transdisciplinary integration of the different representative spheres as energy, socio-economy, and ecology (environment.

  6. Aeroacoustic and aerodynamic applications of the theory of nonequilibrium thermodynamics

    Science.gov (United States)

    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.

  7. 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)

  8. Dynamical Cooper pairing in non-equilibrium electron-phonon systems

    Energy Technology Data Exchange (ETDEWEB)

    Knap, Michael [Technical University of Munich (Germany); Harvard University (United States); Babadi, Mehrtash; Refael, Gil [Caltech (United States); Martin, Ivar [Argonne National Laboratory (United States); Demler, Eugene [Harvard University (United States)

    2016-07-01

    Ultrafast laser pulses have been used to manipulate complex quantum materials and to induce dynamical phase transitions. One of the most striking examples is the transient enhancement of superconductivity in several classes of materials upon irradiating them with high intensity pulses of terahertz light. Motivated by these experiments we analyze the Cooper pairing instabilities in non-equilibrium electron-phonon systems. We demonstrate that the light induced non-equilibrium state of phonons results in a simultaneous increase of the superconducting coupling constant and the electron scattering. We analyze the competition between these effects and show that in a broad range of parameters the dynamic enhancement of Cooper pair formation dominates over the increase in the scattering rate. This opens the possibility of transient light induced superconductivity at temperatures that are considerably higher than the equilibrium transition temperatures. Our results pave new pathways for engineering high-temperature light-induced superconducting states.

  9. Non-equilibrium statistical physics with application to disordered systems

    CERN Document Server

    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...

  10. Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry.

    Science.gov (United States)

    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.

  11. Ordered phase and non-equilibrium fluctuation in stock market

    Science.gov (United States)

    Maskawa, Jun-ichi

    2002-08-01

    We analyze the statistics of daily price change of stock market in the framework of a statistical physics model for the collective fluctuation of stock portfolio. In this model the time series of price changes are coded into the sequences of up and down spins, and the Hamiltonian of the system is expressed by spin-spin interactions as in spin glass models of disordered magnetic systems. Through the analysis of Dow-Jones industrial portfolio consisting of 30 stock issues by this model, we find a non-equilibrium fluctuation mode on the point slightly below the boundary between ordered and disordered phases. The remaining 29 modes are still in disordered phase and well described by Gibbs distribution. The variance of the fluctuation is outlined by the theoretical curve and peculiarly large in the non-equilibrium mode compared with those in the other modes remaining in ordinary phase.

  12. Safer energetic materials by a nanotechnological approach

    Science.gov (United States)

    Siegert, Benny; Comet, Marc; Spitzer, Denis

    2011-09-01

    Energetic materials - explosives, thermites, populsive powders - are used in a variety of military and civilian applications. Their mechanical and electrostatic sensitivity is high in many cases, which can lead to accidents during handling and transport. These considerations limit the practical use of some energetic materials despite their good performance. For industrial applications, safety is one of the main criteria for selecting energetic materials. The sensitivity has been regarded as an intrinsic property of a substance for a long time. However, in recent years, several approaches to lower the sensitivity of a given substance, using nanotechnology and materials engineering, have been described. This feature article gives an overview over ways to prepare energetic (nano-)materials with a lower sensitivity.Energetic materials - explosives, thermites, populsive powders - are used in a variety of military and civilian applications. Their mechanical and electrostatic sensitivity is high in many cases, which can lead to accidents during handling and transport. These considerations limit the practical use of some energetic materials despite their good performance. For industrial applications, safety is one of the main criteria for selecting energetic materials. The sensitivity has been regarded as an intrinsic property of a substance for a long time. However, in recent years, several approaches to lower the sensitivity of a given substance, using nanotechnology and materials engineering, have been described. This feature article gives an overview over ways to prepare energetic (nano-)materials with a lower sensitivity. Electronic supplementary information (ESI) available: Experimental details for the preparation of the V2O5@CNF/Al nanothermite; X-ray diffractogram of the V2O5@CNF/Al combustion residue; installation instructions and source code for the nt-timeline program. See DOI: 10.1039/c1nr10292c

  13. Quantum Coherent Dynamics Enhanced by Synchronization with Nonequilibrium Environments

    Science.gov (United States)

    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.

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

    Science.gov (United States)

    Vorberger, J.; Chapman, D. A.

    2018-01-01

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

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

    Science.gov (United States)

    Vorberger, J; Chapman, D A

    2018-01-01

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

  16. Light-induced electronic non-equilibrium in plasmonic particles.

    Science.gov (United States)

    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.

  17. Nozzle Flow with Vibrational Nonequilibrium. Ph.D. Thesis

    Science.gov (United States)

    Landry, John Gary

    1995-01-01

    Flow of nitrogen gas through a converging-diverging nozzle is simulated. The flow is modeled using the Navier-Stokes equations that have been modified for vibrational nonequilibrium. The energy equation is replaced by two equations. One equation accounts for energy effects due to the translational and rotational degrees of freedom, and the other accounts for the affects due to the vibrational degree of freedom. The energy equations are coupled by a relaxation time which measures the time required for the vibrational energy component to equilibrate with the translational and rotational energy components. An improved relaxation time is used in this thesis. The equations are solved numerically using the Steger-Warming flux vector splitting method and the Implicit MacCormack method. The results show that uniform flow is produced outside of the boundary layer. Nonequilibrium exists in both the converging and diverging nozzle sections. The boundary layer region is characterized by a marked increase in translational-rotational temperature. The vibrational temperature remains frozen downstream of the nozzle, except in the boundary layer.

  18. Homogeneous non-equilibrium two-phase critical flow model

    International Nuclear Information System (INIS)

    Schroeder, J.J.; Vuxuan, N.

    1987-01-01

    An important aspect of nuclear and chemical reactor safety is the ability to predict the maximum or critical mass flow rate from a break or leak in a pipe system. At the beginning of such a blowdown, if the stagnation condition of the fluid is subcooled or slightly saturated thermodynamic non-equilibrium exists in the downstream, e.g. the fluid becomes superheated to a degree determined by the liquid pressure. A simplified non-equilibrium model, explained in this report, is valid for rapidly decreasing pressure along the flow path. It presumes that fluid has to be superheated by an amount governed by physical principles before it starts to flash into steam. The flow is assumed to be homogeneous, i.e. the steam and liquid velocities are equal. An adiabatic flow calculation mode (Fanno lines) is employed to evaluate the critical flow rate for long pipes. The model is found to satisfactorily describe critical flow tests. Good agreement is obtained with the large scale Marviken tests as well as with small scale experiments. (orig.)

  19. How should we understand non-equilibrium many-body steady states?

    Science.gov (United States)

    Maghrebi, Mohammad; Gorshkov, Alexey

    : Many-body systems with both coherent dynamics and dissipation constitute a rich class of models which are nevertheless much less explored than their dissipationless counterparts. The advent of numerous experimental platforms that simulate such dynamics poses an immediate challenge to systematically understand and classify these models. In particular, nontrivial many-body states emerge as steady states under non-equilibrium dynamics. In this talk, I use a field-theoretic approach based on the Keldysh formalism to study nonequilibrium phases and phase transitions in such models. I show that an effective temperature generically emerges as a result of dissipation, and the universal behavior including the dynamics near the steady state is described by a thermodynamic universality class. In the end, I will also discuss possibilities that go beyond the paradigm of an effective thermodynamic behavior.

  20. Optimization of some eco-energetic systems

    International Nuclear Information System (INIS)

    Purica, I.; Pavelescu, M.; Stoica, M.

    1976-01-01

    An optimization problem of two eco-energetic systems is described. The first one is close to the actual eco-energetic system in Romania, while the second is a new one, based on nuclear energy as primary source and hydrogen energy as secondary source. The optimization problem solved is to find the optimal structure of the systems so that the objective functions adopted, namely unitary energy cost C and total pollution P, to be minimum at the same time. The problem can be modelated with a bimatrix cooperative mathematical game without side payments. We demonstrate the superiority of the new eco-energetic system. (author)

  1. Optical orientation of the homogeneous non-equilibrium Bose-Einstein condensate of bright excitons (polaritons)

    OpenAIRE

    Korenev, V. L.

    2011-01-01

    A simple model, describing the dynamics of the non-equilibrium pseudospin of a homogeneous Bose-Einstein condensate of exciton polaritons, has been formulated. It explains the suppression of spin splitting of a non-equilibrium polariton condensate in an external magnetic field, the optical alignment, and the conversion of alignment into orientation of polaritons. It has been shown that inverse effects are possible, to wit, the spontaneous circular polarization and the enhancement of spin spli...

  2. 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

  3. Energetics Laboratory Facilities

    Data.gov (United States)

    Federal Laboratory Consortium — These energetic materials laboratories are equipped with explosion proof hoods with blow out walls for added safety, that are certified for safe handling of primary...

  4. 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

  5. Non-equilibrium flow and sediment transport distribution over mobile river dunes

    Science.gov (United States)

    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.

  6. 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)

  7. Effect of energetic electrons on combustion of premixed burner flame

    Science.gov (United States)

    Sasaki, Koichi

    2011-10-01

    In many studies of plasma-assisted combustion, authors superpose discharges onto flames to control combustion reactions. This work is motivated by more fundamental point of view. The standpoint of this work is that flames themselves are already plasmas. We irradiated microwave power onto premixed burner flame with the intention of heating electrons in it. The microwave power was limited below the threshold for a discharge. We obtained the enhancement of burning velocity by the irradiation of the microwave power, which was understood by the shortening of the flame length. At the same time, we observed the increases in the optical emission intensities of OH and CH radicals. Despite the increases in the optical emission intensities, the optical emission spectra of OH and CH were not affected by the microwave irradiation, indicating that the enhancement of the burning velocity was not attributed to the increase in the gas temperature. On the other hand, we observed significant increase in the optical emission intensity of the second positive system of molecular nitrogen, which is a clear evidence for electron heating in the premixed burner flame. Therefore, it is considered that the enhancement of the burning velocity is obtained by nonequilibrium combustion chemistry which is driven by energetic electrons. By irradiating pulsed microwave power, we examined the time constants for the increases and decreases in the optical emission intensities of N2, OH, CH, and continuum radiation.

  8. Phase-field simulation of microstructure evolution in Ni-based superalloys

    Energy Technology Data Exchange (ETDEWEB)

    Tsukada, Yuhki; Murata, Yoshinori; Morinaga, Masahiko [Nagoya Univ. (Japan). Dept. of Materials, Physics and Energy Engineering; Koyama, Toshiyuki [National Institute for Materials Science, Tsukuba, Ibaraki (Japan)

    2010-07-01

    The morphological evolution of the ({gamma} + {gamma}') microstructure in Ni-based superalloys is investigated by a series of phase-field simulations. In the simulation for simple aging heat treatment, the effect of elastic constant inhomogeneity between the {gamma} and {gamma}' phases is investigated. The elastic anisotropy or the shear modulus is changed independently in the simulation. The variation of the anisotropy affects the morphology, particle size distribution and coarsening kinetics of the {gamma}' phase, whereas the variation of the shear modulus does not affect them. In the simulation for high temperature creep, formation and collapse of the rafted structure are reproduced under the assumption that the creep strain in the {gamma} matrix increases with creep time. This morphological evolution is related to the change in the energetically stable morphology of the {gamma}' phase with increasing the creep strain. (orig.)

  9. 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)

  10. 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...

  11. Non-equilibrium QCD of high-energy multi-gluon dynamics

    International Nuclear Information System (INIS)

    Geiger, K.

    1996-01-01

    A non-equilibrium QCD description of multiparticle dynamics in space-time is of both fundamental and phenomenological interest. Here the authors discusses an attempt to derive from first principles, a real-time formalism to study the dynamical interplay of quantum and statistical-kinetic properties of non-equilibrium multi-parton systems produced in high-energy QCD processes. The ultimate goal (from which one is still far away) is to have a practically applicable description of the space-time evolution of a general initial system of gluons and quarks, characterized by some large energy or momentum scale, that expands, diffuses and dissipates according to the self- and mutual-interactions, and eventually converts dynamically into final state hadrons. For example, the evolution of parton showers in the mechanism of parton-hadron conversion in high-energy hadronic collisions, or, the description of formation, evolution and freezeout of a quark-gluon plasma, in ultra-relativistic heavy-ion collisions

  12. Crossover from equilibration to aging: Nonequilibrium theory versus simulations.

    Science.gov (United States)

    Mendoza-Méndez, P; Lázaro-Lázaro, E; Sánchez-Díaz, L E; Ramírez-González, P E; Pérez-Ángel, G; Medina-Noyola, M

    2017-08-01

    Understanding glasses and the glass transition requires comprehending the nature of the crossover from the ergodic (or equilibrium) regime, in which the stationary properties of the system have no history dependence, to the mysterious glass transition region, where the measured properties are nonstationary and depend on the protocol of preparation. In this work we use nonequilibrium molecular dynamics simulations to test the main features of the crossover predicted by the molecular version of the recently developed multicomponent nonequilibrium self-consistent generalized Langevin equation theory. According to this theory, the glass transition involves the abrupt passage from the ordinary pattern of full equilibration to the aging scenario characteristic of glass-forming liquids. The same theory explains that this abrupt transition will always be observed as a blurred crossover due to the unavoidable finiteness of the time window of any experimental observation. We find that within their finite waiting-time window, the simulations confirm the general trends predicted by the theory.

  13. Importance sampling large deviations in nonequilibrium steady states. I

    Science.gov (United States)

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

    2018-03-01

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

  14. Importance sampling large deviations in nonequilibrium steady states. I.

    Science.gov (United States)

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

    2018-03-28

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

  15. Variational discretization of the nonequilibrium thermodynamics of simple systems

    Science.gov (United States)

    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.

  16. Basic researches on thermo-hydraulic non-equilibrium phenomena related to nuclear reactor safety

    International Nuclear Information System (INIS)

    Sakurai, Akira; Kataoka, Isao; Aritomi, Masanori.

    1989-01-01

    A review was made of recent developments of fundamental researches on thermo-hydraulic non-equilibrium phenomena related to light water reactor safety, in relation to problems to be solved for the improvement of safety analysis codes. As for the problems related to flow con ditions, fundamental researches on basic conservation equations and constitutive equations for transient two-phase flow were reviewed. Regarding to the problems related to thermal non-equilibrium phenomena, fundamental researches on film boiling in pool and forced convection, transient boiling heat transfer and flow behavior caused by pressure transients were reviewed. (author)

  17. Non-equilibrium phenomena in confined soft matter irreversible adsorption, physical aging and glass transition at the nanoscale

    CERN Document Server

    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...

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

    Science.gov (United States)

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

    2018-06-01

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

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

    Science.gov (United States)

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

    2018-03-05

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

  20. Nonequilibrium Green's function formulation of quantum transport theory for multi-band semiconductors

    International Nuclear Information System (INIS)

    Zhao, Peiji; Horing, Norman J.M.; Woolard, Dwight L.; Cui, H.L.

    2003-01-01

    We present a nonequilibrium Green's function formulation of many-body quantum transport theory for multi-band semiconductor systems with a phonon bath. The equations are expressed exactly in terms of single particle nonequilibrium Green's functions and self-energies, treating the open electron-hole system in weak interaction with the bath. A decoupling technique is employed to separate the individual band Green's function equations of motion from one another, with the band-band interaction effects embedded in ''cross-band'' self-energies. This nonequilibrium Green's function formulation of quantum transport theory is amenable to solution by parallel computing because of its formal decoupling with respect to inter-band interactions. Moreover, this formulation also permits coding the simulator of an n-band semiconductor in terms of that for an (n-1)-band system, in step with the current tendency and development of programming technology. Finally, the focus of these equations on individual bands provides a relatively direct route for the determination of carrier motion in energy bands, and to delineate the influence of intra- and inter-band interactions. A detailed description is provided for three-band semiconductor systems

  1. Self-organized crystallization mechanism of non-equilibrium 2:1 type phyllosilicate systems

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    The crystallization mechanism of 2:1 type regular interstratified minerals is investigated in views of non-equilibrium thermodynamics. The structural chemistry of relative layers and their interstratified combinations is analyzed and six kinds of non-equilibrium chemical systems have been induced. The universal laws of chemical reactions which happened in the interface region of these non-equilibrium systems have been summarized. From these laws, two reaction systems crystallizing out Tosudite and Rectorite respectively have been recovered. The kinetic model of chemical reactions has been developed by means of the mass conservation law. The oscillatory solution showing regular interstratified features has also been obtained numerically. These results indicate that the difference in original chemical composition among systems can affect the chemical connotation of reactants, intermediate products and resultants, and the flow chart of chemical reaction, but cannot change their crystallization behavior of network-forming cations, bigger and smaller network-modifying cations during crystallization. Hence, their kinetic model reflecting the universal crystallization law of these cations is just the same. These systems will crystallize out regular interstratified minerals at suitable parameters, which always exist as domain with nanometer-sized in thickness and can be called the self-organized ordering structure.

  2. Validation of vibration-dissociation coupling models in hypersonic non-equilibrium separated flows

    Science.gov (United States)

    Shoev, G.; Oblapenko, G.; Kunova, O.; Mekhonoshina, M.; Kustova, E.

    2018-03-01

    The validation of recently developed models of vibration-dissociation coupling is discussed in application to numerical solutions of the Navier-Stokes equations in a two-temperature approximation for a binary N2/N flow. Vibrational-translational relaxation rates are computed using the Landau-Teller formula generalized for strongly non-equilibrium flows obtained in the framework of the Chapman-Enskog method. Dissociation rates are calculated using the modified Treanor-Marrone model taking into account the dependence of the model parameter on the vibrational state. The solutions are compared to those obtained using traditional Landau-Teller and Treanor-Marrone models, and it is shown that for high-enthalpy flows, the traditional and recently developed models can give significantly different results. The computed heat flux and pressure on the surface of a double cone are in a good agreement with experimental data available in the literature on low-enthalpy flow with strong thermal non-equilibrium. The computed heat flux on a double wedge qualitatively agrees with available data for high-enthalpy non-equilibrium flows. Different contributions to the heat flux calculated using rigorous kinetic theory methods are evaluated. Quantitative discrepancy of numerical and experimental data is discussed.

  3. 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

  4. 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.)

  5. RETRAN nonequilibrium two-phase flow model for operational transient analyses

    International Nuclear Information System (INIS)

    Paulsen, M.P.; Hughes, E.D.

    1982-01-01

    The field balance equations, flow-field models, and equation of state for a nonequilibrium two-phase flow model for RETRAN are given. The differential field balance model equations are: (1) conservation of mixture mass; (2) conservation of vapor mass; (3) balance of mixture momentum; (4) a dynamic-slip model for the velocity difference; and (5) conservation of mixture energy. The equation of state is formulated such that the liquid phase may be subcooled, saturated, or superheated. The vapor phase is constrained to be at the saturation state. The dynamic-slip model includes wall-to-phase and interphase momentum exchanges. A mechanistic vapor generation model is used to describe vapor production under bulk subcooling conditions. The speed of sound for the mixture under nonequilibrium conditions is obtained from the equation of state formulation. The steady-state and transient solution methods are described

  6. 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)

  7. What Can Reinforcement Learning Teach Us About Non-Equilibrium Quantum Dynamics

    Science.gov (United States)

    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.

  8. Rocket measurements of energetic particles in the midlatitude precipitation zone

    Science.gov (United States)

    Voss, H. D.; Smith, L. G.; Braswell, F. M.

    1980-01-01

    Measurements of energetic ion and electron properties as a function of altitude in the midlatitude zone of nighttime energetic particle precipitation are reported. The measurements of particle fluxes, energy spectra and pitch angle distributions were obtained by a Langmuir probe, six energetic particle spectrometers and an electrostatic analyzer on board a Nike Apache rocket launched near the center of the midlatitude zone during disturbed conditions. It is found that the incident flux was primarily absorbed rather than backscattered, and consists of mainly energetic hydrogen together with some helium and a small energetic electron component. Observed differential energy spectra of protons having an exponential energy spectrum, and pitch angle distributions at various altitudes indicate that the energetic particle flux decreases rapidly for pitch angles less than 70 deg. An energetic particle energy flux of 0.002 ergs/sq cm per sec is calculated which indicates the significance of energetic particles as a primary nighttime ionization source for altitudes between 120 and 200 km in the midlatitude precipitation zone.

  9. 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...

  10. 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

  11. Transition from equilibrium ignition to non-equilibrium burn for ICF capsules surrounded by a high-Z pusher

    International Nuclear Information System (INIS)

    Li, Ji W.; Chang, Lei; Li, Yun S.; Li, Jing H.

    2011-01-01

    For the ICF capsule surrounded by a high-Z pusher which traps the radiation and confines the hot fuel, the fuel will first be ignited in thermal equilibrium with radiation at a much lower temperature than hot-spot ignition, which is also the low temperature ignition. Because of the lower areal density for ICF capsules, the equilibrium ignition must be developed into a non-equilibrium burn to shorten the reaction time and lower the drive energy. In this paper, the transition from the equilibrium ignition to non-equilibrium burn is discussed and the energy deposited by α particles required for the equilibrium ignition and non-equilibrium burn to occur is estimated.

  12. Effects of the primary recoil spectrum on microstructural evolution

    International Nuclear Information System (INIS)

    Wiedersich, H.

    1989-11-01

    For quantitative predictions and comparisons of microstructures that evolve during exposure to different radiation environments at elevated temperature one needs to develop methods that go beyond those based on the number of displacements per atom. The number of freely migrating defects that contribute to the microstructural development is far less than the total number of defects produced, as has been recognized for some time from measurements of radiation-induced segregation and of radiation-enhanced diffusion. One major reason for the small amount of defects available for long range migration is the high concentration and close spatial correlation of vacancies and, to a somewhat lesser degree, of interstitials in cascades produced by high energy knock-ons. As a consequence, many defects either recombine or form immobile defect clusters during the defect formation and cooling phases of the cascades. After doses exceeding a few tenths of a displacement per atom, the residue of small clusters and dislocation loops of vacancy type remaining in the central portions of energetic cascades and subscascades, is the second major reason for the reduction of the mean free path of defects between creation and annihilation. Defect production in various neutron and ion irradiation environments is discussed in light of these facts. A method to calculate the fraction of freely migrating defects from the cluster size distribution of defects produced in cascades is suggested. The results are in good agreement with available data. 22 refs., 5 figs

  13. SRB states and nonequilibrium statistical mechanics close to equilibrium

    OpenAIRE

    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.

  14. Non-equilibrium microwave plasma for efficient high temperature chemistry

    NARCIS (Netherlands)

    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

  15. Large-Scale Reactive Atomistic Simulation of Shock-induced Initiation Processes in Energetic Materials

    Science.gov (United States)

    Thompson, Aidan

    2013-06-01

    Initiation in energetic materials is fundamentally dependent on the interaction between a host of complex chemical and mechanical processes, occurring on scales ranging from intramolecular vibrations through molecular crystal plasticity up to hydrodynamic phenomena at the mesoscale. A variety of methods (e.g. quantum electronic structure methods (QM), non-reactive classical molecular dynamics (MD), mesoscopic continuum mechanics) exist to study processes occurring on each of these scales in isolation, but cannot describe how these processes interact with each other. In contrast, the ReaxFF reactive force field, implemented in the LAMMPS parallel MD code, allows us to routinely perform multimillion-atom reactive MD simulations of shock-induced initiation in a variety of energetic materials. This is done either by explicitly driving a shock-wave through the structure (NEMD) or by imposing thermodynamic constraints on the collective dynamics of the simulation cell e.g. using the Multiscale Shock Technique (MSST). These MD simulations allow us to directly observe how energy is transferred from the shockwave into other processes, including intramolecular vibrational modes, plastic deformation of the crystal, and hydrodynamic jetting at interfaces. These processes in turn cause thermal excitation of chemical bonds leading to initial chemical reactions, and ultimately to exothermic formation of product species. Results will be presented on the application of this approach to several important energetic materials, including pentaerythritol tetranitrate (PETN) and ammonium nitrate/fuel oil (ANFO). In both cases, we validate the ReaxFF parameterizations against QM and experimental data. For PETN, we observe initiation occurring via different chemical pathways, depending on the shock direction. For PETN containing spherical voids, we observe enhanced sensitivity due to jetting, void collapse, and hotspot formation, with sensitivity increasing with void size. For ANFO, we

  16. Unifying quantum heat transfer in a nonequilibrium spin-boson model with full counting statistics

    Science.gov (United States)

    Wang, Chen; Ren, Jie; Cao, Jianshu

    2017-02-01

    To study the full counting statistics of quantum heat transfer in a driven nonequilibrium spin-boson model, we develop a generalized nonequilibrium polaron-transformed Redfield equation with an auxiliary counting field. This enables us to study the impact of qubit-bath coupling ranging from weak to strong regimes. Without external modulations, we observe maximal values of both steady-state heat flux and noise power in moderate coupling regimes, below which we find that these two transport quantities are enhanced by the finite-qubit-energy bias. With external modulations, the geometric-phase-induced heat flux shows a monotonic decrease upon increasing the qubit-bath coupling at zero qubit energy bias (without bias). While under the finite-qubit-energy bias (with bias), the geometric-phase-induced heat flux exhibits an interesting reversal behavior in the strong coupling regime. Our results unify the seemingly contradictory results in weak and strong qubit-bath coupling regimes and provide detailed dissections for the quantum fluctuation of nonequilibrium heat transfer.

  17. A multi-scale methodology to model damage, deformation and ignition of highly-filled energetic materials

    Energy Technology Data Exchange (ETDEWEB)

    Vivier, G. [Paris Univ., Paris (France). LMT Cachan; CEA Le Ripault, Monts (France); Trumel, H. [CEA Le Ripault, Monts (France); Hild, F. [Paris Univ., Paris (France). LMT Cachan

    2009-07-01

    The kinetic energy that occurs when energetic materials are impacted can be converted to heat through dissipative deformation processes while the macroscopic temperature remains unaffected. In this study, a thermodynamics-based approach was used to model the elasto-plastic behaviour that occurs during the deformation process of microstructures. Macroscopic material was modelled as a statistical distribution of unit cells containing a crack grain embedded in an elastic mortar-like matrix. A mesoscopic unit cell model was also developed under confined shear. The study demonstrated that stored energy is a non-negligible part of the total energy of the system, and that stored energy can be released during the unloading process. It was concluded that the mesoscopic analysis of the cracked cell demonstrates that continuum thermodynamics can be used to predict hot spots induced by friction. 7 refs., 7 figs.

  18. Structure of Energetic Particle Mediated Shocks Revisited

    International Nuclear Information System (INIS)

    Mostafavi, P.; Zank, G. P.; Webb, G. M.

    2017-01-01

    The structure of collisionless shock waves is often modified by the presence of energetic particles that are not equilibrated with the thermal plasma (such as pickup ions [PUIs] and solar energetic particles [SEPs]). This is relevant to the inner and outer heliosphere and the Very Local Interstellar Medium (VLISM), where observations of shock waves (e.g., in the inner heliosphere) show that both the magnetic field and thermal gas pressure are less than the energetic particle component pressures. Voyager 2 observations revealed that the heliospheric termination shock (HTS) is very broad and mediated by energetic particles. PUIs and SEPs contribute both a collisionless heat flux and a higher-order viscosity. We show that the incorporation of both effects can completely determine the structure of collisionless shocks mediated by energetic ions. Since the reduced form of the PUI-mediated plasma model is structurally identical to the classical cosmic ray two-fluid model, we note that the presence of viscosity, at least formally, eliminates the need for a gas sub-shock in the classical two-fluid model, including in that regime where three are possible. By considering parameters upstream of the HTS, we show that the thermal gas remains relatively cold and the shock is mediated by PUIs. We determine the structure of the weak interstellar shock observed by Voyager 1 . We consider the inclusion of the thermal heat flux and viscosity to address the most general form of an energetic particle-thermal plasma two-fluid model.

  19. Structure of Energetic Particle Mediated Shocks Revisited

    Energy Technology Data Exchange (ETDEWEB)

    Mostafavi, P.; Zank, G. P. [Department of Space Science, University of Alabama in Huntsville, Huntsville, AL 35899 (United States); Webb, G. M. [Center for Space Plasma and Aeronomic Research (CSPAR), University of Alabama in Huntsville, Huntsville, AL 35899 (United States)

    2017-05-20

    The structure of collisionless shock waves is often modified by the presence of energetic particles that are not equilibrated with the thermal plasma (such as pickup ions [PUIs] and solar energetic particles [SEPs]). This is relevant to the inner and outer heliosphere and the Very Local Interstellar Medium (VLISM), where observations of shock waves (e.g., in the inner heliosphere) show that both the magnetic field and thermal gas pressure are less than the energetic particle component pressures. Voyager 2 observations revealed that the heliospheric termination shock (HTS) is very broad and mediated by energetic particles. PUIs and SEPs contribute both a collisionless heat flux and a higher-order viscosity. We show that the incorporation of both effects can completely determine the structure of collisionless shocks mediated by energetic ions. Since the reduced form of the PUI-mediated plasma model is structurally identical to the classical cosmic ray two-fluid model, we note that the presence of viscosity, at least formally, eliminates the need for a gas sub-shock in the classical two-fluid model, including in that regime where three are possible. By considering parameters upstream of the HTS, we show that the thermal gas remains relatively cold and the shock is mediated by PUIs. We determine the structure of the weak interstellar shock observed by Voyager 1 . We consider the inclusion of the thermal heat flux and viscosity to address the most general form of an energetic particle-thermal plasma two-fluid model.

  20. Energetic consumption levels and human development indexes

    International Nuclear Information System (INIS)

    Boa Nova, Antonio Carlos

    1999-01-01

    The article overviews the energetic consumption levels and human development indexes. The human development indexes are described based on the United Nations Development Programme. A comparison between the energetic consumption levels and human development indexes is also presented

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  2. Non-equilibrium blunt body flows in ionized gases

    International Nuclear Information System (INIS)

    Nishida, Michio

    1981-01-01

    The behaviors of electrons and electronically excited atoms in non-equilibrium and partially ionized blunt-body-flows are described. Formulation has been made separately in a shock layer and in a free stream, and then the free stream solution has been connected with the shock layer solution by matching the two solutions at the shock layer edge. The method of this matching is described here. The partially ionized gas is considered to be composed of neutral atoms, ions and electrons. Furthermore, the neutral atoms are divided into atoms in excited levels. Therefore, it is considered that electron energy released due to excitation, and that gained due to de-excitation, contribute to electron energy. Thus, the electron energy equation including these contributions is solved, coupled with the continuity equations of the excited atoms and the electrons. An electron temperature distribution from a free stream to a blunt body wall has been investigated for a case when the electrons are in thermal non-equilibrium with heavy particles in the free stream. In addition, the distributions of the excited atom density are discussed in the present analysis. (author)

  3. The stable nonequilibrium state of bicarbonate aqueous systems

    Science.gov (United States)

    Voeikov, V. L.; Vilenskaya, N. D.; Ha, Do Minh; Malyshenko, S. I.; Buravleva, E. V.; Yablonskaya, O. I.; Timofeev, K. N.

    2012-09-01

    Data obtained by electron paramagnetic resonance (EPR) and chemiluminescence analysis indicate that in aqueous solutions of bicarbonates, superoxide radical and other reactive oxygen species (ROS) are constantly produced. The stationary level of the superoxide radical is found to increase when a solution is illuminated. Reactions involving ROS are shown to be accompanied by the generation of electron excitation energy, keeping bicarbonate solutions in a stable nonequilibrium state. The system can emit part of this energy. Variations in emitting activity are found to correlate with variations in the cosmophysical factors. The emitting activity of solutions is found to vary in the presence of low and ultralow concentrations of hydrated fullerenes. It is noted that the phenomenon of spontaneous charge separation in aqueous systems (G. H. Pollack) could play a role in maintaining a stable nonequilibrium state in bicarbonate systems where the reactions with ROS participation are catalyzed by forms of carbonate. It is concluded that the abovementioned properties of bicarbonate aqueous systems most likely keep living matter whose structural basis is formed by these systems in a stable excited state, thereby making it highly sensitive to the action of external factors with low and ultralow intensities.

  4. Amplitude oscillations in a non-equilibrium polariton condensate

    Science.gov (United States)

    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.

  5. Non-equilibrium magnetic interactions in strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-06-15

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

  6. 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.)

  7. Lattice Boltzmann approach for complex nonequilibrium flows.

    Science.gov (United States)

    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.

  8. Non-equilibrium between ions and electrons inside hot spots from National Ignition Facility experiments

    OpenAIRE

    Zhengfeng Fan; Yuanyuan Liu; Bin Liu; Chengxin Yu; Ke Lan; Jie Liu

    2017-01-01

    The non-equilibrium between ions and electrons in the hot spot can relax the ignition conditions in inertial confinement fusion [Fan et al., Phys. Plasmas 23, 010703 (2016)], and obvious ion-electron non-equilibrium could be observed by our simulations of high-foot implosions when the ion-electron relaxation is enlarged by a factor of 2. On the other hand, in many shots of high-foot implosions on the National Ignition Facility, the observed X-ray enhancement factors due to ablator mixing into...

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

    DEFF Research Database (Denmark)

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

    1999-01-01

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

  10. 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)

  11. Supersymmetric electroweak baryogenesis, nonequilibrium field theory and quantum Boltzmann equations

    CERN Document Server

    Riotto, Antonio

    1998-01-01

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

  12. Microstructure evolution and microstructure/mechanical properties relationships in alpha+beta titanium alloys

    Science.gov (United States)

    Lee, Eunha

    In this study, the microstructural evolution of Timetal 550 was investigated. Timetal 550 showed two types of phase transformations (martensitic and nucleation and growth) depending on the cooling rate from the beta region. The alpha phase initially precipitated at the prior beta grain boundaries, and it had a Burgers OR with one of the adjacent grains. It was found that colonies could grow, even in the fast-cooled Timetal 550 sample, from the grain boundary alpha into the prior beta grain with which it exhibited the Burgers OR. Three orientation relationships were also found between alpha laths in the basketweave microstructure. Microhardness testing demonstrated that fast-cooled Timetal 550 samples with basketweave microstructure were harder than slowly-cooled samples with colony microstructure. Orientation-dependent deformation was found in the colony microstructure. Specifically, when the surface normal is perpendicular to the [0001] of alpha, the material deforms easily in the direction perpendicular to the [0001] of alpha. Fuzzy logic and Bayesian neural network models were developed to predict the room temperature tensile properties of Timetal 550. This involved the development of a database relating microstructural features to mechanical properties. A Gleeble 3800 thermal-mechanical simulator was used to develop various microstructures. Microstructural features of tensile-tested samples were quantified using stereological procedures. The quantified microstructural features and the tensile properties were used as inputs and outputs, respectively, for modeling the relationships between them. The individual influence of five microstructural features on tensile properties was determined using the established models. The microstructural features having the greatest impact on UTS and YS were the thickness of alpha laths and the width of grain boundary alpha layer, and the microstructural features having the greatest impact on elongation were the thickness of

  13. Molecular-Based Optical Diagnostics for Hypersonic Nonequilibrium Flows

    Science.gov (United States)

    Danehy, Paul; Bathel, Brett; Johansen, Craig; Winter, Michael; O'Byrne, Sean; Cutler, Andrew

    2015-01-01

    This presentation package consists of seven different talks rolled up into one. These talks are all invited orals presentations in a special session at the Aviation 2015 conference and represent contributions that were made to a recent AIAA book that will be published entitled 'Hypersonic Nonequilibrium Flows: Fundamentals and Recent Advances'. Slide 5 lists the individual presentations that will be given during the special session.

  14. Asymptotic analysis of discrete schemes for non-equilibrium radiation diffusion

    International Nuclear Information System (INIS)

    Cui, Xia; Yuan, Guang-wei; Shen, Zhi-jun

    2016-01-01

    Motivated by providing well-behaved fully discrete schemes in practice, this paper extends the asymptotic analysis on time integration methods for non-equilibrium radiation diffusion in [2] to space discretizations. Therein studies were carried out on a two-temperature model with Larsen's flux-limited diffusion operator, both the implicitly balanced (IB) and linearly implicit (LI) methods were shown asymptotic-preserving. In this paper, we focus on asymptotic analysis for space discrete schemes in dimensions one and two. First, in construction of the schemes, in contrast to traditional first-order approximations, asymmetric second-order accurate spatial approximations are devised for flux-limiters on boundary, and discrete schemes with second-order accuracy on global spatial domain are acquired consequently. Then by employing formal asymptotic analysis, the first-order asymptotic-preserving property for these schemes and furthermore for the fully discrete schemes is shown. Finally, with the help of manufactured solutions, numerical tests are performed, which demonstrate quantitatively the fully discrete schemes with IB time evolution indeed have the accuracy and asymptotic convergence as theory predicts, hence are well qualified for both non-equilibrium and equilibrium radiation diffusion. - Highlights: • Provide AP fully discrete schemes for non-equilibrium radiation diffusion. • Propose second order accurate schemes by asymmetric approach for boundary flux-limiter. • Show first order AP property of spatially and fully discrete schemes with IB evolution. • Devise subtle artificial solutions; verify accuracy and AP property quantitatively. • Ideas can be generalized to 3-dimensional problems and higher order implicit schemes.

  15. Nonperturbative effects of energetic ions on Alfven eigenmodes

    International Nuclear Information System (INIS)

    Todo, Y.; Nakajima, N.; Shinohara, K.; Takechi, M.; Ishikawa, M.; Yamamoto, S.

    2005-01-01

    Linear properties and nonlinear evolutions of an energetic-ion driven instability in a JT-60U plasma were investigated using a simulation code for magnetohydrodynamics and energetic particles. The spatial profile of the unstable mode peaks near the plasma center where the safety factor profile is flat. The unstable mode is not a toroidal Alfven eigenmode (TAE) because the spatial profile deviates from the expected location of TAE and the spatial profile consists of a single primary harmonic m/n = 2/1 where m, n are poloidal and toroidal mode numbers. The real frequency of the unstable mode is close to the experimental starting frequency of the fast frequency sweeping mode. The simulation results demonstrate that the energetic ion orbit width and the energetic ion pressure significantly broaden radial profile of the unstable mode. For the smallest value among the investigated energetic ion orbit width, the unstable mode is localized within 20% of the minor radius. This gives an upper limit of the spatial profile width of the unstable mode which the magnetohydrodynamic effects alone can induce. For the experimental condition of the JT-60U plasma, the energetic ions broaden the spatial profile of the unstable mode by a factor of 3 compared with the smallest orbit width case. The unstable mode is primarily induced by the energetic particles. It is demonstrated that the frequency shifts both upward and downward in the nonlinear evolution at the rate close to that of the fast frequency sweeping mode. In addition to the energetic particle mode in the JT-60U plasma, an investigation of TAE in an LHD-like plasma using the simulation code for the helical coordinate system is reported. (author)

  16. Nonperturbative effects of energetic ions on Alfven eigenmodes

    International Nuclear Information System (INIS)

    Todo, Y.; Nakajima, N.; Shinohara, Kouji; Takechi, Manabu; Ishikawa, Masao

    2005-01-01

    Linear properties and nonlinear evolutions of an energetic-ion driven instability in a JT-60U plasma were investigated using a simulation code for magnetohydrodynamics and energetic particles. The spatial profile of the unstable mode peaks near the plasma center where the safety factor profile is flat. The unstable mode is not a toroidal Alfven eigenmode (TAE) because the spatial profile deviates from the expected location of TAE and the spatial profile consists of a single primary harmonic m/n=2/1 where m, n are poloidal and toroidal mode numbers. The real frequency of the unstable mode is close to the experimental starting frequency of the fast frequency sweeping mode. The simulation results demonstrate that the energetic ion orbit width and the energetic ion pressure significantly broaden radial profile of the unstable mode. For the smallest value among the investigated energetic ion orbit width, the unstable mode is localized within 20% of the minor radius. This gives an upper limit of the spatial profile width of the unstable mode which the magnetohydrodynamic effects alone can induce. For the experimental condition of the JT-60U plasma, the energetic ions broaden the spatial profile of the unstable mode by a factor of 3 compared with the smallest orbit width case. The unstable mode is primarily induced by the energetic particles. It is demonstrated that the frequency shifts both upward and downward in the nonlinear evolution at the rate close to that of the fast frequency sweeping mode. In addition to the energetic particle mode in the JT-60U plasma, an investigation of TAE in an LHD-like plasma using the simulation code for the helical coordinate system is reported. (author)

  17. Artificial Microstructures to Investigate Microstructure-Property Relationships in Metallic Glasses

    Science.gov (United States)

    Sarac, Baran

    Technology has evolved rapidly within the last decade, and the demand for higher performance materials has risen exponentially. To meet this demand, novel materials with advanced microstructures have been developed and are currently in use. However, the already complex microstructure of technological relevant materials imposes a limit for currently used development strategies for materials with optimized properties. For this reason, a strategy to correlate microstructure features with properties is still lacking. Computer simulations are challenged due to the computing size required to analyze multi-scale characteristics of complex materials, which is orders of magnitude higher than today's state of the art. To address these challenges, we introduced a novel strategy to investigate microstructure-property relationships. We call this strategy "artificial microstructure approach", which allows us to individually and independently control microstructural features. By this approach, we defined a new way of analyzing complex microstructures, where microstructural second phase features were precisely varied over a wide range. The artificial microstructures were fabricated by the combination of lithography and thermoplastic forming (TPF), and subsequently characterized under different loading conditions. Because of the suitability and interesting properties of metallic glasses, we proposed to use this toolbox to investigate the different deformation modes in cellular structures and toughening mechanism in metallic glass (MG) composites. This study helped us understand how to combine the unique properties of metallic glasses such as high strength, elasticity, and thermoplastic processing ability with plasticity generated from heterostructures of metallic glasses. It has been widely accepted that metallic glass composites are very complex, and a broad range of contributions have been suggested to explain the toughening mechanism. This includes the shear modulus, morphology

  18. Ecological problems of thermonuclear energetics. Review

    Energy Technology Data Exchange (ETDEWEB)

    Sivintsev, Yu V

    1980-01-01

    A review of preliminary quantitative estimates of radiation hazard of thermonuclear reactors is presented. Main attention is given to three aspects: nonradiation effect on environment, radionuclide blow-ups at normal operation and emergency situations with their consequences. The given data testify to great radiological advantages of thermonuclear energetics as compared with the modern nuclear energetics with thermal and prospective fast reactors.

  19. An Exact Solution for the Assessment of Nonequilibrium Sorption of Radionuclides in the Vadose Zone

    International Nuclear Information System (INIS)

    Drake, R. L.; Chen, J-S.

    2002-01-01

    In a report on model evaluation, the authors ran the HYDRUS Code, among other transport codes, to evaluate the impacts of nonequilibrium sorption sites on the time-evolution of 99Tc and 90Sr through the vadose zone. Since our evaluation was based on a rather low, annual recharge rate, many of the numerical results derived from HYDRUS indicated that the nonequilibrium sorption sites, in essence, acted as equilibrium sorption sites. To help explain these results, we considered a ''stripped-down'' version of the HYDRUS system. This ''stripped-down'' version possesses two dependent variables, one for the radionuclides in solution and the other for the radionuclides adsorbed to the nonequilibrium sites; and it possesses constant physical parameters. The resultant governing equation for the radionuclides in solution is a linear, advection-dispersion-reaction (i.e., radioactive decay) partial differential equation containing a history integral term accounting for the nonequilibrium sorption sites. It is this ''stripped-down'' version, which is the subject of this paper. We found an exact solution to this new version of the model. The exact solution is given in terms of a single definite integral of terms involving elementary functions of the independent variables and the system parameters. This integral possesses adequate convergence properties and is easy to evaluate, both in a quantitative matter and in a qualitative manner. The parameters that are considered in the system are as follows: the radionuclide's equilibrium partition coefficient between water and soil, the bulk density of the soil, the fractions of equilibrium/nonequilibrium sorption sites, the volumetric water content, the first order equilibrium adsorption rate constant, the first order radioactive decay rate constant, the liquid water soil tortuosity factor, the molecular diffusion coefficient in water, the longitudinal dispersivity factor, and the Darcian fluid flux density. In addition, the system

  20. 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.

  1. 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

  2. Non-equilibrium dynamics of single polymer adsorption to solid surfaces

    NARCIS (Netherlands)

    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

  3. Advancing non-equilibrium ARPES experiments by a 9.3 eV coherent ultrafast photon source

    Energy Technology Data Exchange (ETDEWEB)

    Cilento, F., E-mail: federico.cilento@elettra.eu [Elettra – Sincrotrone Trieste S.C.p.A., Strada Statale 14, km 163.5, Trieste 34149 (Italy); C.N.R. – I.O.M., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Crepaldi, A. [Elettra – Sincrotrone Trieste S.C.p.A., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Manzoni, G.; Sterzi, A. [Universitá degli Studi di Trieste, Via A. Valerio 2, Trieste 34127 (Italy); Zacchigna, M. [C.N.R. – I.O.M., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Bugnon, Ph.; Berger, H. [Institute of Condensed Matter Physics, Ecole Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne (Switzerland); Parmigiani, F. [Elettra – Sincrotrone Trieste S.C.p.A., Strada Statale 14, km 163.5, Trieste 34149 (Italy); Universitá degli Studi di Trieste, Via A. Valerio 2, Trieste 34127 (Italy); International Faculty, University of Köln, 50937 Köln (Germany)

    2016-02-15

    The quest for investigating the non-equilibrium dynamics of the band structure of strongly-correlated materials over their entire Brillouin zone is a primary objective. However, the actual ultrafast UV light sources are not suitable for addressing several critical questions in the field. Here we report on a novel light source generating sub-250 fs, 9.3 eV photon energy light pulses at 250 kHz repetition rate, obtained via third-harmonic generation in Xe of frequency-doubled 50 fs laser pulses at 1.55 eV. By reporting the measured band dispersion of a Cu(111) crystal and the non-equilibrium dynamics of the Bi{sub 2}Se{sub 3} topological insulator, we prove that this source is suitable for studying the non-equilibrium dynamics of the entire Fermi surface of several complex materials, with high signal statistics and limited space-charge effect.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  5. Phase separation in the nonequilibrium Verwey transition in magnetite

    Science.gov (United States)

    Randi, F.; Vergara, I.; Novelli, F.; Esposito, M.; Dell'Angela, M.; Brabers, V. A. M.; Metcalf, P.; Kukreja, R.; Dürr, H. A.; Fausti, D.; Grüninger, M.; Parmigiani, F.

    2016-02-01

    We present equilibrium and out-of-equilibrium studies of the Verwey transition in magnetite. In the equilibrium optical conductivity, we find a steplike change at the phase transition for photon energies below about 2 eV. The possibility of triggering a nonequilibrium transient metallic state in insulating magnetite by photo excitation was recently demonstrated by an x-ray study. Here we report a full characterization of the optical properties in the visible frequency range across the nonequilibrium phase transition. Our analysis of the spectral features is based on a detailed description of the equilibrium properties. The out-of-equilibrium optical data bear the initial electronic response associated to localized photoexcitation, the occurrence of phase separation, and the transition to a transient metallic phase for excitation density larger than a critical value. This allows us to identify the electronic nature of the transient state, to unveil the phase transition dynamics, and to study the consequences of phase separation on the reflectivity, suggesting a spectroscopic feature that may be generally linked to out-of-equilibrium phase separation.

  6. Two-temperature chemically non-equilibrium modelling of transferred arcs

    International Nuclear Information System (INIS)

    Baeva, M; Kozakov, R; Gorchakov, S; Uhrlandt, D

    2012-01-01

    A two-temperature chemically non-equilibrium model describing in a self-consistent manner the heat transfer, the plasma chemistry, the electric and magnetic field in a high-current free-burning arc in argon has been developed. The model is aimed at unifying the description of a thermionic tungsten cathode, a flat copper anode, and the arc plasma including the electrode sheath regions. The heat transfer in the electrodes is coupled to the plasma heat transfer considering the energy fluxes onto the electrode boundaries with the plasma. The results of the non-equilibrium model for an arc current of 200 A and an argon flow rate of 12 slpm are presented along with results obtained from a model based on the assumption of local thermodynamic equilibrium (LTE) and from optical emission spectroscopy. The plasma shows a near-LTE behaviour along the arc axis and in a region surrounding the axis which becomes wider towards the anode. In the near-electrode regions, a large deviation from LTE is observed. The results are in good agreement with experimental findings from optical emission spectroscopy. (paper)

  7. Non-Equilibrium Heavy Flavored Hadron Yields from Chemical Equilibrium Strangeness-Rich QGP

    OpenAIRE

    Kuznetsova, Inga; Rafelski, Johann

    2008-01-01

    The yields of heavy flavored hadrons emitted from strangeness-rich QGP are evaluated within chemical non-equilibrium statistical hadronization model, conserving strangeness, charm, and entropy yields at hadronization.

  8. Effect of microstructure on the mechanical properties of as-cast Ti-Nb-Al-Cu-Ni alloys for biomedical application.

    Science.gov (United States)

    Okulov, I V; Pauly, S; Kühn, U; Gargarella, P; Marr, T; Freudenberger, J; Schultz, L; Scharnweber, J; Oertel, C-G; Skrotzki, W; Eckert, J

    2013-12-01

    The correlation between the microstructure and mechanical behavior during tensile loading of Ti68.8Nb13.6Al6.5Cu6Ni5.1 and Ti71.8Nb14.1Al6.7Cu4Ni3.4 alloys was investigated. The present alloys were prepared by the non-equilibrium processing applying relatively high cooling rates. The microstructure consists of a dendritic bcc β-Ti solid solution and fine intermetallic precipitates in the interdendritic region. The volume fraction of the intermetallic phases decreases significantly with slightly decreasing the Cu and Ni content. Consequently, the fracture mechanism in tension changes from cleavage to shear. This in turn strongly enhances the ductility of the alloy and as a result Ti71.8Nb14.1Al6.7Cu4Ni3.4 demonstrates a significant tensile ductility of about 14% combined with the high yield strength of above 820 MPa already in the as-cast state. The results demonstrate that the control of precipitates can significantly enhance the ductility and yet maintaining the high strength and the low Young's modulus of these alloys. The achieved high bio performance (ratio of strength to Young's modulus) is comparable (or even superior) with that of the recently developed Ti-based biomedical alloys. © 2013.

  9. Segregation and redistribution of end-of-process energetic materials

    International Nuclear Information System (INIS)

    McCabe, R.A.; Cummins, B.; Gonzalez, M.A.

    1993-03-01

    A system recovering then recycling or reusing end-of-process energetic materials has been developed at the Lawrence Livermore National Laboratory (LLNL). The system promotes separating energetic materials with high potential for reuse or recycling from those that have no further value. A feature of the system is a computerized electronic bulletin board for advertising the availability of surplus and recovered energetic materials and process chemicals to LLNL researchers, and for posting energetic materials, ''want ads.'' The system was developed and implemented to promote waste minimization and pollution prevention at LLNL

  10. Assessment of accident energetics in LMFBR core-disruptive accidents

    International Nuclear Information System (INIS)

    Fauske, H.K.

    1977-01-01

    An assessment of accident energetics in LMFBR core-disruptive accidents is given with emphasis on the generic issues of energetic recriticality and energetic fuel-coolant interaction events. Application of a few general behavior principles to the oxide-fueled system suggests that such events are highly unlikely following a postulated core meltdown event

  11. Temperature in non-equilibrium states: a review of open problems and current proposals

    International Nuclear Information System (INIS)

    Casas-Vazquez, J; Jou, D

    2003-01-01

    The conceptual problems arising in the definition and measurement of temperature in non-equilibrium states are discussed in this paper in situations where the local-equilibrium hypothesis is no longer satisfactory. This is a necessary and urgent discussion because of the increasing interest in thermodynamic theories beyond local equilibrium, in computer simulations, in non-linear statistical mechanics, in new experiments, and in technological applications of nanoscale systems and material sciences. First, we briefly review the concept of temperature from the perspectives of equilibrium thermodynamics and statistical mechanics. Afterwards, we explore which of the equilibrium concepts may be extrapolated beyond local equilibrium and which of them should be modified, then we review several attempts to define temperature in non-equilibrium situations from macroscopic and microscopic bases. A wide review of proposals is offered on effective non-equilibrium temperatures and their application to ideal and real gases, electromagnetic radiation, nuclear collisions, granular systems, glasses, sheared fluids, amorphous semiconductors and turbulent fluids. The consistency between the different relativistic transformation laws for temperature is discussed in the new light gained from this perspective. A wide bibliography is provided in order to foster further research in this field

  12. 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

  13. Heliospheric Observations of Energetic Particles

    Science.gov (United States)

    Summerlin, Errol J.

    2011-01-01

    Heliospheric observations of energetic particles have shown that, on long time averages, a consistent v^-5 power-law index arises even in the absence of transient events. This implies an ubiquitous acceleration process present in the solar wind that is required to generate these power-law tails and maintain them against adiabatic losses and coulomb-collisions which will cool and thermalize the plasma respectively. Though the details of this acceleration process are being debated within the community, most agree that the energy required for these tails comes from fluctuations in the magnetic field which are damped as the energy is transferred to particles. Given this source for the tail, is it then reasonable to assume that the turbulent LISM should give rise to such a power-law tail as well? IBEX observations clearly show a power-law tail of index approximately -5 in energetic neutral atoms. The simplest explanation for the origins of these ENAs are that they are energetic ions which have charge-exchanged with a neutral atom. However, this would imply that energetic ions possess a v^-5 power-law distribution at keV energies at the source of these ENAs. If the source is presumed to be the LISM, it provides additional options for explaining the, so called, IBEX ribbon. This presentation will discuss some of these options as well as potential mechanisms for the generation of a power-law spectrum in the LISM.

  14. Physics of energetic ions

    International Nuclear Information System (INIS)

    1999-01-01

    Physics knowledge (theory and experiment) in energetic particles relevant to design of a reactor scale tokamak is reviewed, and projections for ITER are provided in this Chapter of the ITER Physics Basis. The review includes single particle effects such as classical alpha particle heating and toroidal field ripple loss, as well as collective instabilities that might be generated in ITER plasmas by energetic alpha particles. The overall conclusion is that fusion alpha particles are expected to provide an efficient plasma heating for ignition and sustained burn in the next step device. The major concern is localized heat loads on the plasma facing components produced by alpha particle loss, which might affect their lifetime in a tokamak reactor. (author)

  15. Energetic particle observations at the subsolar magnetopause

    Directory of Open Access Journals (Sweden)

    A. A. Eccles

    Full Text Available The pitch-angle distributions (PAD of energetic particles are examined as the ISEE-1 satellite crosses the Earth’s magnetopause near the subsolar point. The investigation focuses on the possible existence of a particular type of distribution that would be associated with a source of energetic particles in the high-latitude magnetosphere. PADs, demonstrating broad, persistent field-aligned fluxes filling a single hemisphere (upper/northern or lower/southern, were observed just sunward of the magnetopause current layer for an extended period of many minutes. These distributions are a direct prediction of a possible source of energetic particles located in the high altitude dayside cusp and we present five examples in detail of the three-dimensional particle distributions to demonstrate their existence. From these results, other possible causes of such PADs are examined.

    Key words. Magnetospheric physics (energetic particles, precipitating; magnetopause, cusp and boundary layers; magnetospheric configuration and dynamics

  16. Energetically resolved multiple-fluid equilibria of tokamak plasmas

    International Nuclear Information System (INIS)

    Hole, M J; Dennis, G

    2009-01-01

    In many magnetically confined fusion experiments, a significant fraction of the stored energy of the plasma resides in energetic, or non-thermal, particle populations. Despite this, most equilibrium treatments are based on MHD: a single fluid treatment which assumes a Maxwell-Boltzmann distribution function. Detailed magnetic reconstruction based on this treatment ignore the energetic complexity of the plasma and can result in model-data inconsistencies, such as thermal pressure profiles which are inconsistent with the total stored kinetic energy of the plasma. Alternatively, ad hoc corrections to the pressure profile, such as summing the energetic and thermal pressures, have poor theoretical justification. Motivated by this omission, we generalize ideal MHD one step further: we consider multiple quasi-neutral fluids, each in thermal equilibrium and each thermally insulated from each other-no population mixing occurs. Kinetically, such a model may be able to describe the ion or electron distribution function in regions of velocity phase space with a large number of particles, at the expense of more weakly populated phase space, which may have uncharacteristically high temperature and hence pressure. As magnetic equilibrium effects increase with the increase in pressure, our work constitutes an upper limit to the effect of energetic particles. When implemented into an existing solver, FLOW (Guazzotto et al 2004 Phys. Plasmas 11, 604-14), it becomes possible to qualitatively explore the impact of resolving the energetic populations on plasma equilibrium configurations in realistic geometry. Deploying the modified code, FLOW-M, on a high performance spherical torus configuration, we find that the effect of variations of the pressure, poloidal flow and toroidal flow of the energetic populations is qualitatively similar to variations in the background plasma. We also study the robustness of the equilibrium to uncertainties in the current profile and the energetic

  17. SDE decomposition and A-type stochastic interpretation in nonequilibrium processes

    Science.gov (United States)

    Yuan, Ruoshi; Tang, Ying; Ao, Ping

    2017-12-01

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

  18. Non-equilibrium dynamics of single polymer adsorption to solid surfaces

    International Nuclear Information System (INIS)

    Panja, Debabrata; Barkema, Gerard T; Kolomeisky, Anatoly 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 in the absence of hydrodynamic interactions. We find that for weak adsorption energies the adsorption timescales ∼N (1+2ν)/(1+ν) , where ν is the Flory exponent for the polymer. We argue that in this regime the single chain adsorption is closely related to a field-driven polymer translocation through narrow pores. Surprisingly, for high adsorption energies the adsorption time becomes longer, as it scales as ∼N 1+ν , which is explained by strong stretching of the unadsorbed part of the polymer close to the adsorbing surface. These two dynamic regimes are separated by an energy scale that is characterized by non-equilibrium contributions during the adsorption process. (fast track communication)

  19. TIME DEPENDENT NONEQUILIBRIUM IONIZATION OF TRANSITION REGION LINES OBSERVED WITH IRIS

    Energy Technology Data Exchange (ETDEWEB)

    Martínez-Sykora, Juan; Pontieu, Bart De; Hansteen, Viggo H. [Lockheed Martin Solar and Astrophysics Laboratory, Palo Alto, CA 94304 (United States); Gudiksen, Boris, E-mail: j.m.sykora@astro.uio.no [Institute of Theoretical Astrophysics, University of Oslo, P.O. Box 1029 Blindern, NO-0315 Oslo (Norway)

    2016-01-20

    The properties of nonstatistical equilibrium ionization of silicon and oxygen ions are analyzed in this work. We focus on five solar targets (quiet Sun; coronal hole; plage; quiescent active region, AR; and flaring AR) as observed with the Interface Region Imaging Spectrograph (IRIS). IRIS is best suited for this work owing to the high cadence (up to 0.5 s), high spatial resolution (up to 0.″32), and high signal-to-noise ratios for O iv λ1401 and Si iv λ1402. We find that the observed intensity ratio between lines of three times ionized silicon and oxygen ions depends on their total intensity and that this correlation varies depending on the region observed (quiet Sun, coronal holes, plage, or active regions) and on the specific observational objects present (spicules, dynamic loops, jets, microflares, or umbra). In order to interpret the observations, we compare them with synthetic profiles taken from 2D self-consistent radiative MHD simulations of the solar atmosphere, where the statistical equilibrium or nonequilibrium treatment of silicon and oxygen is applied. These synthetic observations show vaguely similar correlations to those in the observations, i.e., between the intensity ratios and their intensities, but only in the nonequilibrium case do we find that (some of) the observations can be reproduced. We conclude that these lines are formed out of statistical equilibrium. We use our time-dependent nonequilibrium ionization simulations to describe the physical mechanisms behind these observed properties.

  20. The effect of non-equilibrium metal cooling on the interstellar medium

    Science.gov (United States)

    Capelo, Pedro R.; Bovino, Stefano; Lupi, Alessandro; Schleicher, Dominik R. G.; Grassi, Tommaso

    2018-04-01

    By using a novel interface between the modern smoothed particle hydrodynamics code GASOLINE2 and the chemistry package KROME, we follow the hydrodynamical and chemical evolution of an isolated galaxy. In order to assess the relevance of different physical parameters and prescriptions, we constructed a suite of 10 simulations, in which we vary the chemical network (primordial and metal species), how metal cooling is modelled (non-equilibrium versus equilibrium; optically thin versus thick approximation), the initial gas metallicity (from 10 to 100 per cent solar), and how molecular hydrogen forms on dust. This is the first work in which metal injection from supernovae, turbulent metal diffusion, and a metal network with non-equilibrium metal cooling are self-consistently included in a galaxy simulation. We find that properly modelling the chemical evolution of several metal species and the corresponding non-equilibrium metal cooling has important effects on the thermodynamics of the gas, the chemical abundances, and the appearance of the galaxy: the gas is typically warmer, has a larger molecular-gas mass fraction, and has a smoother disc. We also conclude that, at relatively high metallicity, the choice of molecular-hydrogen formation rates on dust is not crucial. Moreover, we confirm that a higher initial metallicity produces a colder gas and a larger fraction of molecular gas, with the low-metallicity simulation best matching the observed molecular Kennicutt-Schmidt relation. Finally, our simulations agree quite well with observations that link star formation rate to metal emission lines.

  1. 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.

  2. On nonequilibrium many-body systems 2: ultra fast relaxation phenomena in semiconductors

    International Nuclear Information System (INIS)

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

    1986-01-01

    The application of the nonequilibrium statistical operator (NSO) method to the study of the irreversible thermodynamics and optical responses of semiconductors probed by ultrafast laser spectroscopy is described. (Author) [pt

  3. Formation of carbon nano- and micro-structures on C+1 irradiated copper surfaces

    International Nuclear Information System (INIS)

    Ahmad, Shoaib

    2013-01-01

    A series of experiments has identified mechanisms of carbon nano- and micro-structure formation at room temperature, without catalyst and in the environment of immiscible metallic surroundings. The structures include threaded nano fibres, graphitic sheets and carbon onions. Copper as substrate was used due to its immiscibility with carbon. Energetic carbon ions (C + 1 ) of 0.2–2.0 MeV irradiated Cu targets. Cu substrates, apertures and 3 mm dia TEM Cu grids were implanted with the carbon. We observed wide range of μm-size structures formed on Cu grids and along the edges of the irradiated apertures. These are shown to be threaded nano fibers (TNF) of few μm thicknesses with lengths varying from 10 to 3000 μm. Secondary electron microscopy (SEM) identifies the μm-size structures while Confocal microscopy was used to learn about the mechanisms by which C + 1 irradiated Cu provides the growth environment. Huge carbon onions of diameters ranging from hundreds of nm to μm were observed in the as-grown and annealed samples. Transformations of the nanostructures were observed under prolonged electron irradiations of SEM and TEM. A mechanism for the formation of carbon nano- and micro-structures is proposed.

  4. Nonequilibrium thermodynamics and energy efficiency in weight loss diets

    Directory of Open Access Journals (Sweden)

    Fine Eugene J

    2007-07-01

    Full Text Available Abstract Carbohydrate restriction as a strategy for control of obesity is based on two effects: a behavioral effect, spontaneous reduction in caloric intake and a metabolic effect, an apparent reduction in energy efficiency, greater weight loss per calorie consumed. Variable energy efficiency is established in many contexts (hormonal imbalance, weight regain and knock-out experiments in animal models, but in the area of the effect of macronutrient composition on weight loss, controversy remains. Resistance to the idea comes from a perception that variable weight loss on isocaloric diets would somehow violate the laws of thermodynamics, that is, only caloric intake is important ("a calorie is a calorie". Previous explanations of how the phenomenon occurs, based on equilibrium thermodynamics, emphasized the inefficiencies introduced by substrate cycling and requirements for increased gluconeogenesis. Living systems, however, are maintained far from equilibrium, and metabolism is controlled by the regulation of the rates of enzymatic reactions. The principles of nonequilibrium thermodynamics which emphasize kinetic fluxes as well as thermodynamic forces should therefore also be considered. Here we review the principles of nonequilibrium thermodynamics and provide an approach to the problem of maintenance and change in body mass by recasting the problem of TAG accumulation and breakdown in the adipocyte in the language of nonequilibrium thermodynamics. We describe adipocyte physiology in terms of cycling between an efficient storage mode and a dissipative mode. Experimentally, this is measured in the rate of fatty acid flux and fatty acid oxidation. Hormonal levels controlled by changes in dietary carbohydrate regulate the relative contributions of the efficient and dissipative parts of the cycle. While no experiment exists that measures all relevant variables, the model is supported by evidence in the literature that 1 dietary carbohydrate, via its

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

    Science.gov (United States)

    Morozov, V. G.

    2018-01-01

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

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

    Science.gov (United States)

    Röpke, G.

    2018-01-01

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

  7. 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

  8. Ignition conditions relaxation for central hot-spot ignition with an ion-electron non-equilibrium model

    Science.gov (United States)

    Fan, Zhengfeng; Liu, Jie

    2016-10-01

    We present an ion-electron non-equilibrium model, in which the hot-spot ion temperature is higher than its electron temperature so that the hot-spot nuclear reactions are enhanced while energy leaks are considerably reduced. Theoretical analysis shows that the ignition region would be significantly enlarged in the hot-spot rhoR-T space as compared with the commonly used equilibrium model. Simulations show that shocks could be utilized to create and maintain non-equilibrium conditions within the hot spot, and the hot-spot rhoR requirement is remarkably reduced for achieving self-heating. In NIF high-foot implosions, it is observed that the x-ray enhancement factors are less than unity, which is not self-consistent and is caused by assuming Te =Ti. And from this non-consistency, we could infer that ion-electron non-equilibrium exists in the high-foot implosions and the ion temperature could be 9% larger than the equilibrium temperature.

  9. Nonequilibrium Contribution to the Rate of Reaction. III. Isothermal Multicomponent Systems

    Science.gov (United States)

    Shizgal, B.; Karplus, M.

    1970-10-01

    The nonequilibrium contribution to the reaction rate of an isothermal multicomponent system is obtained by solution of the appropriate Chapman-Enskog equation; the system is composed of reactive species in contact with a heat bath of inert atoms M.

  10. Non-equilibrium turbulence scalings in turbulent planar jets

    Science.gov (United States)

    Cafiero, Gioacchino; Vassilicos, John Christos; Turbulence, Mixing; Flow Control Group Team

    2017-11-01

    A revised version of the Townsend George theory, as proposed by Dairay et al. 2015, is applied to the study of turbulent planar jets (Cafiero and Vassilicos 2017). Requiring the self-similarity of only few quantities along with the non-equilibrium dissipation scaling law (Vassilicos 2015), it implies new mean flow and jet width scalings. In particular, the ratio of characteristic cross-stream to centreline streamwise velocities decays as the -1/3 power of streamwise distance in the region where the non-equilibrium dissipation scaling holds. In the definition of Cɛ both in Dairay et al. 2015 and in Cafiero and Vassilicos 2017 the local Reynolds number is based on the local flow width rather than on the integral lengthscale. We verify that the ratio of the integral lengthscale to the flow width is constant, thus enabling the use of the integral flow width in place of the integral lengthscale for defining Cɛ. The importance of this result is twofold: firstly it further strengthens the scalings obtained in the works of Dairay et al. 2015 and Cafiero and Vassilicos 2017; secondly the flow width is immediately accessible by any mean flow measurement, whereas the estimation of the integral lengthscale often requires an additional hypothesis. ERC Advanced Grant 320560.

  11. Equilibrium and non-equilibrium extraction separation of rare earth metals in presence of diethylenetriaminepentaacetic acid in aqueous phase

    International Nuclear Information System (INIS)

    Azis, Abdul; Teramoto, Masaaki; Matsuyama, Hideto.

    1995-01-01

    Equilibrium and non-equilibrium extraction separations of rare earth metals were carried out in the presence of chelating agent in the aqueous phase. The separation systems of the rare earth metal mixtures used were Y/Dy, Y/Ho, Y/Er and Y/Tm, and the chelating agent and the extractant were diethylenetriaminepentaacetic acid (DTPA) and bis (2,4,4-trimethylpentyl) phosphinic acid (CYANEXR 272), respectively. For Y/Dy and Y/Ho systems, higher selectivities were obtained in equilibrium separation compared with those in non-equilibrium separation. On the other hand, the selectivities in non-equilibrium separation were higher for Y/Er and Y/Tm systems. In the separation condition suitable to each system, the addition of DTPA to the aqueous phase was found to be very effective for obtaining higher selectivities. The distribution ratios of the rare earth metals and the selectivities in the equilibrium separations obtained experimentally were thoroughly analyzed by considering various equilibria such as the extraction equilibrium and the complex formation equilibrium between rare earth metals and DTPA in the aqueous phase. Moreover, the extraction rates and the selectivities in the non-equilibrium separations were also analyzed by the extraction model considering the dissociation reactions of the rare earth metal-DTPA complexes in the aqueous stagnant layer. Based on these analyses, we presented an index which is useful for selecting the optimum operation mode. Using this index, we can predict that the selectivities under equilibrium conditions are higher than those under non-equilibrium conditions for Y/Dy and Y/Ho systems, while for Y/Er and Y/Tm systems, higher selectivities are obtained under non-equilibrium conditions. The experimental results were in agreement with predictions by this index. Further, the selectivities in various systems including other chelating agents and extractants were discussed based on this index. (J.P.N.)

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

    Science.gov (United States)

    Kleidon, Axel

    2010-01-13

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

  13. Energetic policies 2005-2030

    International Nuclear Information System (INIS)

    2008-01-01

    This power point exhibition shows the following topics: energy analysis, production and use, supply and demand, consumption, energy sources, energetic prospective of Uruguay country, medium and long term perspectives.

  14. Non-equilibrium quantum heat machines

    Science.gov (United States)

    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.

  15. Nonequilibrium fluctuations in a resistor.

    Science.gov (United States)

    Garnier, N; Ciliberto, S

    2005-06-01

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

  16. 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)

  17. Advances in magnetospheric physics, 1971--1974: energetic particles

    International Nuclear Information System (INIS)

    West, H.I. Jr.

    1974-12-01

    An account is given of energetic particle research in magnetospheric physics for the time period 1971--1974. Emphasis is on relating the various aspects of energetic particles to magnetospheric processes. 458 refs. (U.S.)

  18. Exact results in nonequilibrium statistical mechanics: Formalism and applications in chemical kinetics and single-molecule free energy estimation

    Science.gov (United States)

    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.

  19. A thermodynamic analysis of non-equilibrium heat conduction in a semi-infinite medium subjected to a step change in temperature

    Energy Technology Data Exchange (ETDEWEB)

    Hussain, A.K.; Hussain, T.A.; Shahad, Haroun A.K. [Babylon Univ., Dept. of Mechanical Engineering, Babylon (Iraq)

    2003-05-01

    The problem of non-equilibrium heat conduction in a semi-infinite medium subjected to a step change in temperature is analyzed thermodynamically using the extended irreversible thermodynamic approach. The results show clearly the wave nature of the dimensionless temperature distribution, Stanton number and the dimensionless entropy change profiles. The non-equilibrium profiles approach the equilibrium profiles as the speed of wave propagation is increased. The results also show that the non-equilibrium temperature is higher than the equilibrium temperature but the difference decreases as the wave propagation speed increases. (Author)

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

    DEFF Research Database (Denmark)

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

    2012-01-01

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

  1. Characterisation of Exponential Convergence to Nonequilibrium Limits for Stochastic Volterra Equations

    Directory of Open Access Journals (Sweden)

    John A. D. Appleby

    2008-01-01

    Full Text Available This paper considers necessary and sufficient conditions for the solution of a stochastically and deterministically perturbed Volterra equation to converge exponentially to a nonequilibrium and nontrivial limit. Convergence in an almost sure and pth mean sense is obtained.

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

    DEFF Research Database (Denmark)

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

    2015-01-01

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

  3. Sol-Gel Manufactured Energetic Materials

    Science.gov (United States)

    Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Hrubesh, Lawrence W.; Swansiger, Rosalind W.; Fox, Glenn A.

    2005-05-17

    Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

  4. Coupling effects of tungsten and molybdenum on microstructure and stress-rupture properties of a nickel-base cast superalloy

    Directory of Open Access Journals (Sweden)

    Tongjin Zhou

    2018-02-01

    Full Text Available In order to comprehensively understand the forming mechanism of abnormal phases solidified in a nickel-base cast superalloy with additives of tungsten and molybdenum, the coupling effects of W and Mo on the microstructure and stress-rupture properties were investigated in this paper. The results indicated that the precipitation of primary α-(W, Mo phase depended tremendously on the amount of W and Mo addition. When the total amount of W and Mo was greater than 5.79 at%, α-(W, Mo phase became easily precipitated in the alloy. With increasing of Mo/W ratio, the dendrite-like α-(W, Mo phases were apt to convert into small bars or blocky-like phases at the vicinities of γ′/γ eutectic. The morphological changes of α-(W, Mo phase can be interpreted as the non-equilibrium solidification of W and Mo in the alloy. Since the large sized α-(W, Mo phase has detrimental effects on stress-rupture properties in as-cast conditions, secondary cracks may mainly initiate at and then propagate along the interfaces of brittle phases and soft matrix. During exposing at 1100 ℃ for 1000 h, the α-(W, Mo phases transformed gradually into bigger and harder M6C carbide, which results in decreasing of stress-rupture properties of the alloy. Finally, the alloy with an addition of 14W-1Mo(wt% maintained the longest stress lives at high temperatures and therefore it revealed the best microstructure stability after 1100 ℃/1000 h thermal exposure. Keywords: Superalloy, Tungsten and molybdenum, Cast, Microstructure, Stress-rupture properties

  5. 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

  6. 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

  7. "Non-equilibrium" block copolymer micelles with glassy cores: a predictive approach based on theory of equilibrium micelles.

    Science.gov (United States)

    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

  8. Energetic materials: crystallization, characterization and insensitive plastic bonded explosives

    Energy Technology Data Exchange (ETDEWEB)

    Heijden, Antoine E.D.M. van der; Creyghton, Yves L.M.; Marino, Emanuela; Bouma, Richard H.B.; Scholtes, Gert J.H.G.; Duvalois, Willem [TNO Defence, Security and Safety, P. O. Box 45, 2280 AA Rijswijk (Netherlands); Roelands, Marc C.P.M. [TNO Science and Industry, P. O. Box 342, 7300 AH Apeldoorn (Netherlands)

    2008-02-15

    The product quality of energetic materials is predominantly determined by the crystallization process applied to produce these materials. It has been demonstrated in the past that the higher the product quality of the solid energetic ingredients, the less sensitive a plastic bonded explosive containing these energetic materials becomes. The application of submicron or nanometric energetic materials is generally considered to further decrease the sensitiveness of explosives. In order to assess the product quality of energetic materials, a range of analytical techniques is available. Recent attempts within the Reduced-sensitivity RDX Round Robin (R4) have provided the EM community a better insight into these analytical techniques and in some cases a correlation between product quality and shock initiation of plastic bonded explosives containing (RS-)RDX was identified, which would provide a possibility to discriminate between conventional and reduced sensitivity grades. (Abstract Copyright [2008], Wiley Periodicals, Inc.)

  9. Energetic matrix of Rio de Janeiro State, Brazil - 1994/2004

    International Nuclear Information System (INIS)

    1996-01-01

    This book has been structured into three parts and three appendices. In the first part, named Energetic matrix of Rio de Janeiro State, the most important economic and social aspects of the State and the methodology for elaboration of economic and energetic scenarios has been detailed. In the second part, an analysis of seven consumption sectors components of the energetic matrix structure ( industrial, transports, residential, commercial, energetic, agriculture and cattle-breeding, non energetic) has been performed, with the objective of providing information on the present status and future prospects of energy consumption by sectors up to 2004. Finally, in the third part, the energy supply of Rio de Janeiro State for the consumption sectors has been discussed

  10. Nonequilibrium relaxations within the ground-state manifold in the antiferromagnetic Ising model on a triangular lattice.

    Science.gov (United States)

    Kim, Eunhye; Lee, Sung Jong; Kim, Bongsoo

    2007-02-01

    We present an extensive Monte Carlo simulation study on the nonequilibrium kinetics of triangular antiferromagnetic Ising model within the ground state ensemble which consists of sectors, each of which is characterized by a unique value of the string density p through a dimer covering method. Building upon our recent work [Phys. Rev. E 68, 066127 (2003)] where we considered the nonequilibrium relaxation observed within the dominant sector with p=2/3, we here focus on the nonequilibrium kinetics within the minor sectors with psimple scaling behavior A(t)=A(t/tau(A)(p)), where the time scale tau(A)(p) shows a power-law divergence with vanishing p as tau(A)(p) approximately p(-phi) with phi approximately or equal to 4. These features can be understood in terms of random walk nature of the fluctuations of the strings within the typical separation between neighboring strings.

  11. Theoretical investigation of shock stand-off distance for non-equilibrium flows over spheres

    KAUST Repository

    Shen, Hua

    2018-02-20

    We derived a theoretical solution of the shock stand-off distance for a non-equilibrium flow over spheres based on Wen and Hornung’s solution and Olivier’s solution. Compared with previous approaches, the main advantage of the present approach is allowing an analytic solution without involving any semi-empirical parameter for the whole non-equilibrium flow regimes. The effects of some important physical quantities therefore can be fully revealed via the analytic solution. By combining the current solution with Ideal Dissociating Gas (IDG) model, we investigate the effects of free stream kinetic energy and free stream dissociation level (which can be very different between different facilities) on the shock stand-off distance.

  12. Energetic magnetospheric protons in the plasma depletion layer

    International Nuclear Information System (INIS)

    Fuselier, S.A.

    1992-01-01

    Interplanetary magnetic field draping against the Earth's dayside subsolar magnetopause creates a region of reduced plasma density and increased magnetic field called the plasma depletion layer. In this region, leakage of energetic ions from the Earth's magnetosphere onto magnetic field lines in the plasma depletion layer can be studied without interference from ions accelerated at the Earth's quasi-parallel bow shock. Active Magnetospheric Particle Tracer Experiment/Charge Composition Explorer (AMPTE/CCE) observations for 13 plasma depletion layer events are used to determine the characteristics of energetic protons between a few keV/e and ∼100keV/e leaked from the magnetosphere. Results indicate that the leaked proton distributions resemble those in the magnetosphere except that they have lower densities and temperatures and much higher velocities parallel (or antiparallel) and perpendicular to the magnetic field. Compared to the low-energy magnetosheath proton distributions present in the depletion layer, the leaked energetic proton distributions typically have substantially higher flow velocities along the magnetic field indicate that the leaked energetic proton distributions to contribute to the energetic proton population seen upstream and downstream from the quasi-parallel bow shock. However, their contribution is small compared to the contribution from acceleration of protons at the bow shock because the leaked proton densities are on the order of 10 times smaller than the energetic proton densities typically observed in the vicinity of the quasi-parallel bow shock

  13. Universality in Nonequilibrium Lattice Systems Theoretical Foundations

    CERN Document Server

    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

  14. 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

  15. Extended irreversible thermodynamics and non-equilibrium temperature

    Directory of Open Access Journals (Sweden)

    Casas-Vazquez, Jose'

    2008-02-01

    Full Text Available We briefly review the concept of non-equilibrium temperature from the perspectives of extended irreversible thermodynamics, fluctuation theory, and statistical mechanics. The relations between different proposals are explicitly examined in two especially simple systems: an ideal gas in steady shear flow and a forced harmonic oscillator in a thermal bath. We examine with special detail temperatures related to the average molecular kinetic energy along different spatial directions, to the average configurational energy, to the derivative of the entropy with respect to internal energy, to fluctuation-dissipation relation and discuss their measurement.

  16. Influence of additives on microstructures, mechanical properties and shock-induced reaction characteristics of Al/Ni composites

    Energy Technology Data Exchange (ETDEWEB)

    Xiong, Wei; Zhang, Xianfeng, E-mail: lynx@mail.njust.edu.cn; Wu, Yang; He, Yong; Wang, Chuanting; Guo, Lei

    2015-11-05

    Granular composites containing aluminum (Al) and nickel (Ni) are typical structural energetic materials, which possess ideal combination of both mechanical properties and energy release capability. The influence of two additives, namely Teflon (PTFE) and copper (Cu), on mechanical properties and shock-induced chemical reaction (SICR) characteristics of Al/Ni material system has been investigated. Three composites, namely Al/Ni, Al/Ni/PTFE and Al/Ni/Cu with same volumetric ratio of Al powder to Ni powder, were processed by means of static pressing. Scanning electron microscopy was used to study the microstructure of the mentioned three composites. Quasi static compression tests were also conducted to determine the mechanical properties and fracture behavior of the mentioned three composites. It was shown that the additives affected both compressive strength and fracture mode of the three composites. Impact initiation experiments on the mentioned three composites were performed to determine their shock-induced chemical reaction characteristics by considering pressure histories measured in the test chamber. The experimental results showed that the additives had significant effects on critical initiation velocity, reaction rate, reaction efficiency and post-reaction behavior. - Highlights: • .Al/Ni, Al/Ni/PTFE and Al/Ni/Cu were processed by means of static pressing. • .Microstructures, mechanical properties and shock-induced reactions were studied. • .Microstructures affect both compressive strength and fracture mode. • .Impact velocity is an important factor in shock-induced chemical characteristics. • .Each additive has significant effects on energy release behavior.

  17. Influence of additives on microstructures, mechanical properties and shock-induced reaction characteristics of Al/Ni composites

    International Nuclear Information System (INIS)

    Xiong, Wei; Zhang, Xianfeng; Wu, Yang; He, Yong; Wang, Chuanting; Guo, Lei

    2015-01-01

    Granular composites containing aluminum (Al) and nickel (Ni) are typical structural energetic materials, which possess ideal combination of both mechanical properties and energy release capability. The influence of two additives, namely Teflon (PTFE) and copper (Cu), on mechanical properties and shock-induced chemical reaction (SICR) characteristics of Al/Ni material system has been investigated. Three composites, namely Al/Ni, Al/Ni/PTFE and Al/Ni/Cu with same volumetric ratio of Al powder to Ni powder, were processed by means of static pressing. Scanning electron microscopy was used to study the microstructure of the mentioned three composites. Quasi static compression tests were also conducted to determine the mechanical properties and fracture behavior of the mentioned three composites. It was shown that the additives affected both compressive strength and fracture mode of the three composites. Impact initiation experiments on the mentioned three composites were performed to determine their shock-induced chemical reaction characteristics by considering pressure histories measured in the test chamber. The experimental results showed that the additives had significant effects on critical initiation velocity, reaction rate, reaction efficiency and post-reaction behavior. - Highlights: • .Al/Ni, Al/Ni/PTFE and Al/Ni/Cu were processed by means of static pressing. • .Microstructures, mechanical properties and shock-induced reactions were studied. • .Microstructures affect both compressive strength and fracture mode. • .Impact velocity is an important factor in shock-induced chemical characteristics. • .Each additive has significant effects on energy release behavior

  18. The new physics of non-equilibrium condensates: insights from classical dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Eastham, P R [Theory of Condensed Matter, Cavendish Laboratory, Cambridge CB3 0HE (United Kingdom)

    2007-07-25

    We discuss the dynamics of classical Dicke-type models, aiming to clarify the mechanisms by which coherent states could develop in potentially non-equilibrium systems such as semiconductor microcavities. We present simulations of an undamped model which show spontaneous coherent states with persistent oscillations in the magnitude of the order parameter. These states are generalizations of superradiant ringing to the case of inhomogeneous broadening. They correspond to the persistent gap oscillations proposed in fermionic atomic condensates, and arise from a variety of initial conditions. We show that introducing randomness into the couplings can suppress the oscillations, leading to a limiting dynamics with a time-independent order parameter. This demonstrates that non-equilibrium generalizations of polariton condensates can be created even without dissipation. We explain the dynamical origins of the coherence in terms of instabilities of the normal state, and consider how it can additionally develop through scattering and dissipation.

  19. The new physics of non-equilibrium condensates: insights from classical dynamics

    International Nuclear Information System (INIS)

    Eastham, P R

    2007-01-01

    We discuss the dynamics of classical Dicke-type models, aiming to clarify the mechanisms by which coherent states could develop in potentially non-equilibrium systems such as semiconductor microcavities. We present simulations of an undamped model which show spontaneous coherent states with persistent oscillations in the magnitude of the order parameter. These states are generalizations of superradiant ringing to the case of inhomogeneous broadening. They correspond to the persistent gap oscillations proposed in fermionic atomic condensates, and arise from a variety of initial conditions. We show that introducing randomness into the couplings can suppress the oscillations, leading to a limiting dynamics with a time-independent order parameter. This demonstrates that non-equilibrium generalizations of polariton condensates can be created even without dissipation. We explain the dynamical origins of the coherence in terms of instabilities of the normal state, and consider how it can additionally develop through scattering and dissipation

  20. Nonequilibrium Equation of State in Suspensions of Active Colloids

    Directory of Open Access Journals (Sweden)

    Félix Ginot

    2015-01-01

    Full Text Available Active colloids constitute a novel class of materials composed of colloidal-scale particles locally converting chemical energy into motility, mimicking micro-organisms. Evolving far from equilibrium, these systems display structural organizations and dynamical properties distinct from thermalized colloidal assemblies. Harvesting the potential of this new class of systems requires the development of a conceptual framework to describe these intrinsically nonequilibrium systems. We use sedimentation experiments to probe the nonequilibrium equation of state of a bidimensional assembly of active Janus microspheres and conduct computer simulations of a model of self-propelled hard disks. Self-propulsion profoundly affects the equation of state, but these changes can be rationalized using equilibrium concepts. We show that active colloids behave, in the dilute limit, as an ideal gas with an activity-dependent effective temperature. At finite density, increasing the activity is similar to increasing adhesion between equilibrium particles. We quantify this effective adhesion and obtain a unique scaling law relating activity and effective adhesion in both experiments and simulations. Our results provide a new and efficient way to understand the emergence of novel phases of matter in active colloidal suspensions.

  1. Emergence of an enslaved phononic bandgap in a non-equilibrium pseudo-crystal

    Science.gov (United States)

    Bachelard, Nicolas; Ropp, Chad; Dubois, Marc; Zhao, Rongkuo; Wang, Yuan; Zhang, Xiang

    2017-08-01

    Material systems that reside far from thermodynamic equilibrium have the potential to exhibit dynamic properties and behaviours resembling those of living organisms. Here we realize a non-equilibrium material characterized by a bandgap whose edge is enslaved to the wavelength of an external coherent drive. The structure dynamically self-assembles into an unconventional pseudo-crystal geometry that equally distributes momentum across elements. The emergent bandgap is bestowed with lifelike properties, such as the ability to self-heal to perturbations and adapt to sudden changes in the drive. We derive an exact analytical solution for both the spatial organization and the bandgap features, revealing the mechanism for enslavement. This work presents a framework for conceiving lifelike non-equilibrium materials and emphasizes the potential for the dynamic imprinting of material properties through external degrees of freedom.

  2. Emergence of an enslaved phononic bandgap in a non-equilibrium pseudo-crystal.

    Science.gov (United States)

    Bachelard, Nicolas; Ropp, Chad; Dubois, Marc; Zhao, Rongkuo; Wang, Yuan; Zhang, Xiang

    2017-08-01

    Material systems that reside far from thermodynamic equilibrium have the potential to exhibit dynamic properties and behaviours resembling those of living organisms. Here we realize a non-equilibrium material characterized by a bandgap whose edge is enslaved to the wavelength of an external coherent drive. The structure dynamically self-assembles into an unconventional pseudo-crystal geometry that equally distributes momentum across elements. The emergent bandgap is bestowed with lifelike properties, such as the ability to self-heal to perturbations and adapt to sudden changes in the drive. We derive an exact analytical solution for both the spatial organization and the bandgap features, revealing the mechanism for enslavement. This work presents a framework for conceiving lifelike non-equilibrium materials and emphasizes the potential for the dynamic imprinting of material properties through external degrees of freedom.

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

    International Nuclear Information System (INIS)

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

    1986-01-01

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

  4. The Influence of Milling and Spark Plasma Sintering on the Microstructure and Properties of the Al7075 Alloy

    Science.gov (United States)

    Málek, Přemysl; Minárik, Peter; Novák, Pavel; Průša, Filip

    2018-01-01

    The compact samples of an Al7075 alloy were prepared by a combination of gas atomization, high energy milling, and spark plasma sintering. The predominantly cellular morphology observed in gas atomized powder particles was completely changed by mechanical milling. The continuous-like intermetallic phases present along intercellular boundaries were destroyed; nevertheless, a small amount of Mg(Zn,Cu,Al)2 phase was observed also in the milled powder. Milling resulted in a severe plastic deformation of the material and led to a reduction of grain size from several µm into the nanocrystalline region. The combination of these microstructural characteristics resulted in abnormally high microhardness values exceeding 300 HV. Consolidation through spark plasma sintering (SPS) resulted in bulk samples with negligible porosity. The heat exposition during SPS led to precipitation of intermetallic phases from the non-equilibrium microstructure of both gas atomized and milled powders. SPS of the milled powder resulted in a recrystallization of the severely deformed structure. An ultra-fine grained structure (grain size close to 500 nm) with grains divided primarily by high-angle boundaries was formed. A simultaneous release of stored deformation energy and an increase in the grain size caused a drop of microhardness to values close to 150 HV. This value was retained even after annealing at 425 °C. PMID:29614046

  5. The Influence of Milling and Spark Plasma Sintering on the Microstructure and Properties of the Al7075 Alloy

    Directory of Open Access Journals (Sweden)

    Orsolya Molnárová

    2018-04-01

    Full Text Available The compact samples of an Al7075 alloy were prepared by a combination of gas atomization, high energy milling, and spark plasma sintering. The predominantly cellular morphology observed in gas atomized powder particles was completely changed by mechanical milling. The continuous-like intermetallic phases present along intercellular boundaries were destroyed; nevertheless, a small amount of Mg(Zn,Cu,Al2 phase was observed also in the milled powder. Milling resulted in a severe plastic deformation of the material and led to a reduction of grain size from several µm into the nanocrystalline region. The combination of these microstructural characteristics resulted in abnormally high microhardness values exceeding 300 HV. Consolidation through spark plasma sintering (SPS resulted in bulk samples with negligible porosity. The heat exposition during SPS led to precipitation of intermetallic phases from the non-equilibrium microstructure of both gas atomized and milled powders. SPS of the milled powder resulted in a recrystallization of the severely deformed structure. An ultra-fine grained structure (grain size close to 500 nm with grains divided primarily by high-angle boundaries was formed. A simultaneous release of stored deformation energy and an increase in the grain size caused a drop of microhardness to values close to 150 HV. This value was retained even after annealing at 425 °C.

  6. Cutting and machining energetic materials with a femtosecond laser

    Energy Technology Data Exchange (ETDEWEB)

    Roeske, Frank; Benterou, Jerry; Lee, Ronald; Roos, Edward [Energetic Materials Center, Lawrence Livermore National Laboratory, P. O. Box 808, Livermore, CA 94550 (United States)

    2003-04-01

    A femtosecond (fs) laser has been used as a tool for solving many problems involving access, machining, disassembly, inspection and avoidance of undesirable hazardous waste streams in systems containing energetic materials. Because of the unique properties of the interaction of ultrashort laser pulses with matter, the femtosecond laser can be used to safely cut these energetic materials in a precise manner without creating an unacceptable waste stream. Many types of secondary high explosives (HE) and propellants have been cut with the laser for a variety of applications ranging from disassembly of aging conventional weapons (demilitarization), inspection of energetic components of aging systems to creating unique shapes of HE for purposes of initiation and detonation physics studies. Hundreds of samples of energetic materials have been cut with the fs laser without ignition and, in most cases, without changing the surface morphology of the cut surfaces. The laser has also been useful in cutting nonenergetic components in close proximity to energetic materials. (Abstract Copyright [2003], Wiley Periodicals, Inc.)

  7. Combined equilibrium and non-equilibrium phosphorus segregation to grain boundaries in a 2.25Cr1Mo steel

    International Nuclear Information System (INIS)

    Song, S.-H.; Shen, D.-D.; Yuan, Z.-X.; Liu, J.; Xu, T.-D.; Weng, L.-Q.

    2003-01-01

    Grain boundary segregation of phosphorus in a P-doped 2.25Cr1Mo steel during ageing at 540 deg. C after quenching from 980 deg. C is examined by Auger electron spectroscopy. The segregation is a combined effect of equilibrium segregation and non-equilibrium segregation. The effect of phosphorus non-equilibrium segregation is to enhance the kinetics of its equilibrium segregation

  8. Examining the effects of microstructure and loading on the shock initiation of HMX with mesoscale simulations

    Science.gov (United States)

    Springer, H. Keo; Tarver, Craig; Bastea, Sorin

    2015-06-01

    We perform reactive mesoscale simulations to study shock initiation in HMX over a range of pore morphologies and sizes, porosities, and loading conditions in order to improve our understanding of structure-performance relationships. These relationships are important because they guide the development of advanced macroscale models incorporating hot spot mechanisms and the optimization of novel energetic material microstructures. Mesoscale simulations are performed using the multiphysics hydrocode, ALE3D. Spherical, elliptical, polygonal, and crack-like pore geometries 0.1, 1, 10, and 100 microns in size and 2, 5, 10, and 14% porosity are explored. Loading conditions are realized with shock pressures of 6, 10, 20, 38, and 50 GPa. A Cheetah-based tabular model, including temperature-dependent heat capacity, is used for the unreacted and the product equation-of-state. Also, in-line Cheetah is used to probe chemical species evolution. The influence of microstructure and shock loading on shock-to-detonation-transition run distance, reaction rate and product gas species evolution are discussed. This work performed under the auspices of the U.S. DOE by LLNL under Contract DE-AC52-07NA27344. This work is funded by the Joint DoD-DOE Munitions Program.

  9. Non-Equilibrium Modeling of Inductively Coupled RF Plasmas

    Science.gov (United States)

    2015-01-01

    wall can be approximated with the expression for an infinite solenoid , B(r = R) = µ0NIc, where quan- tities N and Ic are the number of turns per unit...Modeling of non-equilibrium plasmas in an induc- tively coupled plasma facility. AIAA Paper 2014– 2235, 2014. 45th AIAA Plasmadynamics and Lasers ...1993. 24th Plas- madynamics and Laser Conference, Orlando, FL. [22] M. Capitelli, I. Armenise, D. Bruno, M. Caccia- tore, R. Celiberto, G. Colonna, O

  10. Energetic particle physics with applications in fusion and space plasmas

    International Nuclear Information System (INIS)

    Cheng, C.Z.

    1997-01-01

    Energetic particle physics is the study of the effects of energetic particles on collective electromagnetic (EM) instabilities and energetic particle transport in plasmas. Anomalously large energetic particle transport is often caused by low frequency MHD instabilities, which are driven by these energetic particles in the presence of a much denser background of thermal particles. The theory of collective energetic particle phenomena studies complex wave-particle interactions in which particle kinetic physics involving small spatial and fast temporal scales can strongly affect the MHD structure and long-time behavior of plasmas. The difficulty of modeling kinetic-MHD multiscale coupling processes stems from the disparate scales which are traditionally analyzed separately: the macroscale MHD phenomena are studied using the fluid MHD framework, while microscale kinetic phenomena are best described by complicated kinetic theories. The authors have developed a kinetic-MHD model that properly incorporates major particle kinetic effects into the MHD fluid description. For tokamak plasmas a nonvariational kinetic-MHD stability code, the NOVA-K code, has been successfully developed and applied to study problems such as the excitation of fishbone and Toroidal Alfven Eigenmodes (TAE) and the sawtooth stabilization by energetic ions in tokamaks. In space plasmas the authors have employed the kinetic-MHD model to study the energetic particle effects on the ballooning-mirror instability which explains the multisatellite observation of the stability and field-aligned structure of compressional Pc 5 waves in the magnetospheric ring current plasma

  11. A non-equilibrium phase transition in a dissipative forest model

    International Nuclear Information System (INIS)

    Messer, Joachim A.

    2009-01-01

    The shape of the biostress force for a stressed Lotka-Volterra network is for the first time derived from Lindblad's dissipative dynamics. Numerical solutions for stressed prey-predator systems with limited resources show a threshold. A non-equilibrium phase transition to a phase with ecosystem dying after a few enforced oscillations (waldsterben phase) occurs.

  12. Neoclassical transport of energetic beam ions in the Large Helical Device

    International Nuclear Information System (INIS)

    Murakami, Sadayoshi; Yamada, Hiroshi; Kaneko, Osamu

    2000-01-01

    The neoclassical (collisional) transport of energetic ions is investigated by the global neoclassical transport simulation in the Large Helical Device (LHD). The steady state distributions of energetic ions are evaluated assuming an energetic particle source by NBI heating (tangentally injected). Significant radial transport of energetic ions can be seen due to the radial motion of trapped particles in the velocity region below near critical velocity. Our simulation results show relatively good agreements with the experimental results of fast particle measurements in the LHD. This suggests an important role of neoclassical transport in the radial transport process of energetic ions in heliotrons. (author)

  13. Effect of helium on swelling and microstructural evolution in ion-irradiated V-15Cr-5Ti alloy

    International Nuclear Information System (INIS)

    Loomis, B.A.; Kestel, B.J.; Gerber, S.B.; Ayrault, G.

    1986-03-01

    An investigation was made on the effects of implanted helium on the swelling and microstructural evolution that results from energetic single- and dual-ion irradiation of the V-15Cr-5Ti alloy. Single-ion irradiations were utilized for a simulated production of the irradiation damage that might be expected from neutron irradiation of the alloy in a reactor with a fast neutron energy spectrum (E > 0.1 MeV). Dual-ion irradiations were utilized for a simulated production of the simultaneous creation of helium atoms and irradiation damage in the alloy in the MFR environment. Experimental results are also presented on the radiation-induced segregation of the constituent atoms in the single- and dual-ion irradiated alloy

  14. Life cycles of energetic systems

    International Nuclear Information System (INIS)

    Adnot, Jerome; Marchio, Dominique; Riviere, Philippe; Duplessis, B.; Rabl, A.; Glachant, M.; Aggeri, F.; Benoist, A.; Teulon, H.; Daude, J.

    2012-01-01

    This collective publication aims at being a course for students in engineering of energetic systems, i.e. at learning how to decide to accept or discard a project, to select the most efficient system, to select the optimal system, to select the optimal combination of systems, and to classify independent systems. Thus, it presents methods to analyse system life cycle from an energetic, economic and environmental point of view, describes how to develop an approach to the eco-design of an energy consuming product, how to understand the importance of hypotheses behind abundant and often contradicting publicised results, and to be able to criticise or to put in perspective one's own analysis. The first chapters thus recall some aspects of economic calculation, introduce the assessment of investment and exploitation costs of energetic systems, describe how to assess and internalise environmental costs, present the territorial carbon assessment, discuss the use of the life cycle assessment, and address the issue of environmental management at a product scale. The second part proposes various case studies: an optimal fleet of thermal production of electric power, the eco-design of a refrigerator, the economic and environmental assessment of wind farms

  15. Nuclear energetics all over the world

    International Nuclear Information System (INIS)

    Wojcik, T.

    2000-01-01

    The actual state and tendencies of nuclear power further development for different world regions have been presented and discussed. The problem of safety of energetic nuclear reactors, radioactive waste management and related problems have been discussed in respect of regulations in different countries. The economical aspects of nuclear energetics in comparison with different fossil fuel power plants exploitation costs has been presented as well. The official state of international organizations (IAEA, WANO, HASA etc.) have been also shown in respect to subject presented

  16. Energetic certification in Europe

    International Nuclear Information System (INIS)

    1998-01-01

    At community level the problem of energy quality control in a building was introduced by EEC recommendation n. 93/76 in 1993. In this item are reported some notes on energetic certification in European countries [it

  17. On radial stationary solutions to a model of non-equilibrium growth

    Czech Academy of Sciences Publication Activity Database

    Escudero, C.; Hakl, Robert; Peral, I.; Torres, P.J.

    2013-01-01

    Roč. 24, č. 3 (2013), s. 437-453 ISSN 0956-7925 Institutional support: RVO:67985840 Keywords : non-equilibrium growth * radial solutions * variational methods Subject RIV: BA - General Mathematics Impact factor: 1.081, year: 2013 http://journals.cambridge.org/action/displayAbstract?fromPage=online&aid=8897362

  18. Energetic Particles Dynamics in Mercury's Magnetosphere

    Science.gov (United States)

    Walsh, Brian M.; Ryou, A.S.; Sibeck, D. G.; Alexeev, I. I.

    2013-01-01

    We investigate the drift paths of energetic particles in Mercury's magnetosphere by tracing their motion through a model magnetic field. Test particle simulations solving the full Lorentz force show a quasi-trapped energetic particle population that gradient and curvature drift around the planet via "Shabansky" orbits, passing though high latitudes in the compressed dayside by equatorial latitudes on the nightside. Due to their large gyroradii, energetic H+ and Na+ ions will typically collide with the planet or the magnetopause and will not be able to complete a full drift orbit. These simulations provide direct comparison for recent spacecraft measurements from MESSENGER. Mercury's offset dipole results in an asymmetric loss cone and therefore an asymmetry in particle precipitation with more particles precipitating in the southern hemisphere. Since the planet lacks an atmosphere, precipitating particles will collide directly with the surface of the planet. The incident charged particles can kick up neutrals from the surface and have implications for the formation of the exosphere and weathering of the surface

  19. Nonequilibrium mode-coupling theory for dense active systems of self-propelled particles.

    Science.gov (United States)

    Nandi, Saroj Kumar; Gov, Nir S

    2017-10-25

    The physics of active systems of self-propelled particles, in the regime of a dense liquid state, is an open puzzle of great current interest, both for statistical physics and because such systems appear in many biological contexts. We develop a nonequilibrium mode-coupling theory (MCT) for such systems, where activity is included as a colored noise with the particles having a self-propulsion force f 0 and a persistence time τ p . Using the extended MCT and a generalized fluctuation-dissipation theorem, we calculate the effective temperature T eff of the active fluid. The nonequilibrium nature of the systems is manifested through a time-dependent T eff that approaches a constant in the long-time limit, which depends on the activity parameters f 0 and τ p . We find, phenomenologically, that this long-time limit is captured by the potential energy of a single, trapped active particle (STAP). Through a scaling analysis close to the MCT glass transition point, we show that τ α , the α-relaxation time, behaves as τ α ∼ f 0 -2γ , where γ = 1.74 is the MCT exponent for the passive system. τ α may increase or decrease as a function of τ p depending on the type of active force correlations, but the behavior is always governed by the same value of the exponent γ. Comparison with the numerical solution of the nonequilibrium MCT and simulation results give excellent agreement with scaling analysis.

  20. 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.

  1. A Study of Interdiffusion in the Fe-C/Ti System Under Equilibrium and Nonequilibrium Conditions

    Science.gov (United States)

    Prasanthi, T. N.; Sudha, C.; Saroja, S.

    2017-04-01

    In the present study, diffusion behavior under equilibrium and nonequilibrium conditions in a Fe-C/Ti system is studied in the temperature range of 773 K to 1073 K (500 °C to 800 °C). A defect-free weld joint between mild steel (MS) (Fe-0.14 pct C) and Ti Grade 2 obtained by friction welding is diffusion annealed for various durations to study the interdiffusion behavior under equilibrium conditions, while an explosive clad joint is used to study interdiffusion under nonequilibrium conditions. From the elemental concentration profiles obtained across the MS-Ti interface using electron-probe microanalysis and imaging of the interface, the formation of distinct diffusion zones as a function of temperature and time is established. Concentration and temperature dependence of the interdiffusion coefficients ( D( c)) and activation energies are determined. Under equilibrium conditions, the change in molar volume with concentration shows a close match with the ideal Vegard's law, whereas a negative deviation is observed for nonequilibrium conditions. This deviation can be attributed to the formation of secondary phases, which, in turn, alters the D( c) values of diffusing species. Calculations showed that the D 0 and activation energy for interdiffusion under equilibrium is on the order of 10-11 m2/s and 147 kJ/mol, whereas it is far lower in the nonequilibrium case (10-10 m2/s and 117 kJ/mol) in the compositional range of 40 to 50 wt pct Fe, which also manifests as accelerated growth kinetics of the different diffusion zones.

  2. Investigation of the effect of water exposed to nonequilibrium contact plasma onto saccharomyces cerevisiae yeast

    Directory of Open Access Journals (Sweden)

    S. Mykolenko

    2015-05-01

    Full Text Available Introduction. Additional treatment of water by nonequilibrium contact plasma allows improving consumer characteristics of bakery goods considerably. Determination of the effect of plasma-chemically activated water on morphological, cultural and physiological properties of Saccharomyces cerevisiae yeast is important from the technological point of view. Materials and Methods. Experimental investigations were carried out in the conditions of bacteriological laboratory by seeding the culture of yeasts of ТМ “Lvivski” and “Kryvorizki” on Sabouraud dense liquid nutrient media. The quantity of viable cells of microorganisms was determined by the method of Gould sector seeds. Morphology of the yeast was investigated by phase-contrast microscopy. Biotechnological properties of yeasts were determined on Giss media. Results. The paper establishes the effect of water exposed to nonequilibrium contact plasma on the sensitivity of Saccharomyces cerevisiae and shows absence of suppressive action of treated water with regard to cultural properties of microorganisms. The experiments prove that with the use of plasma-chemically activated water morphological characteristics and biochemical properties of bakery yeasts produced by Lviv and Kryvyi Rig yeast plants are preserved. Culturing of Saccharomyces cerevisiae yeast on the nutrient media prepared with the use of water exposed to nonequilibrium contact plasm resulted in 6,5–15 times’ increase in quantity of viable microorganisms compared with the control on the mains drinking water. Conclusions. Physiological properties of Saccharomyces cerevisiae yeast improved owing to use water exposed to nonequilibrium contact plasma. Results of investigations are recommended for using in yeast production and bread making.

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

    Science.gov (United States)

    Purkayastha, Archak; Dhar, Abhishek; Kulkarni, Manas

    2017-11-01

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

  4. Leaching from MSWI bottom ash: Evaluation of non-equilibrium in column percolation experiments

    DEFF Research Database (Denmark)

    Hyks, Jiri; Astrup, Thomas; Christensen, Thomas Højlund

    2009-01-01

    -equilibrium-induced changes in the solubility control. Despite both physical and chemical non-equilibrium, the Columns were found to provide adequate information for readily soluble compounds (i.e., Na, Cl-, and K) and solubility-controlled elements (i.e., Ca, SO42-, Ba, Si, Al, Zn, and Pb). The leaching Of Cu and Ni...... was shown to depend strongly on DOC leaching, which was likely affected by physical non-equilibrium during flow interruptions. Consequently, the leaching of Cu and Ni in the undisturbed Columns Was shown to be by about one order of magnitude lower compared with the interrupted column. The results indicate...... in turn appeared to be controlled by diffusion from the stagnant zone: no Mo controlling minerals were predicted by the geochemical modeling....

  5. Energetic Materials Effects on Essential Soil Processes: Decomposition of Orchard Grass (Dactylis glomerata) Litter in Soil Contaminated with Energetic Materials

    Science.gov (United States)

    2014-02-01

    availabilities of their respective food sources (bacteria and fungi ), were also unaffected-or-increasing in soil with CL-20 treatments. This is...ENERGETIC MATERIALS EFFECTS ON ESSENTIAL SOIL PROCESSES: DECOMPOSITION OF ORCHARD...GRASS (DACTYLIS GLOMERATA) LITTER IN SOIL CONTAMINATED WITH ENERGETIC MATERIALS ECBC-TR-1199 Roman G. Kuperman Ronald T. Checkai Michael Simini

  6. Non-equilibrium oxidation states of zirconium during early stages of metal oxidation

    International Nuclear Information System (INIS)

    Ma, Wen; Yildiz, Bilge; Herbert, F. William; Senanayake, Sanjaya D.

    2015-01-01

    The chemical state of Zr during the initial, self-limiting stage of oxidation on single crystal zirconium (0001), with oxide thickness on the order of 1 nm, was probed by synchrotron x-ray photoelectron spectroscopy. Quantitative analysis of the Zr 3d spectrum by the spectrum reconstruction method demonstrated the formation of Zr 1+ , Zr 2+ , and Zr 3+ as non-equilibrium oxidation states, in addition to Zr 4+ in the stoichiometric ZrO 2 . This finding resolves the long-debated question of whether it is possible to form any valence states between Zr 0 and Zr 4+ at the metal-oxide interface. The presence of local strong electric fields and the minimization of interfacial energy are assessed and demonstrated as mechanisms that can drive the formation of these non-equilibrium valence states of Zr

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

    International Nuclear Information System (INIS)

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

    1985-01-01

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

  8. Computational studies on energetic properties of nitrogen-rich ...

    Indian Academy of Sciences (India)

    Computational studies on energetic properties of nitrogen-rich energetic materials with ditetrazoles. LI XIAO-HONGa,b,∗ and ZHANG RUI-ZHOUa. aCollege of Physics and Engineering, Henan University of Science and Technology, Luoyang 471 003, China. bLuoyang Key Laboratory of Photoelectric Functional Materials, ...

  9. The Energetics of Economics (Money as access to Energy)

    OpenAIRE

    Ternyik, Stephen I.

    2013-01-01

    Money is being portrayed as temporal access to energy and a new methodical approach to the energetics of the human economy is introduced.The economic evolution of world system energetics is put into the historical focus of all global monetary civilization, reaching back to Sumerian city states.This long wave energetics of human economic action clearly points to the biophysical boundaries of the globalized monetary production economy which is also based on natural law.The future perspective of...

  10. Interaction in the large energetic companies in the Republic of Macedonia

    International Nuclear Information System (INIS)

    Janevski, Risto

    1999-01-01

    After disintegration of former power energetic system of Yugoslavia 1991, the Republic of Macedonia has faced enormous problems in the energetic field. It was necessary to realize all options in order to secure enough electric power for normal economic capacities function. In that course a direct involvement of five large companies, which represent very significant energetic subjects, will largely determine the future energetic conditions and circumstances in our country. These are the following companies: P.E. Electric Power Company Of Macedonia; OKTA Crude Oil Refinery; Heat Power Company; HEK Jugohrom; Fenimak. The paper presents the electric power consumption of these macro energetic companies during the period 1991-1998

  11. Non-equilibrium mass transfer absorption model for the design of boron isotopes chemical exchange column

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-11-01

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

  13. Observations of Energetic Particle Escape at the Magnetopause: Early Results from the MMS Energetic Ion Spectrometer (EIS)

    Science.gov (United States)

    Cohen, I. J.; Mauk, B. H.; Anderson, B. J.; Westlake, J. H.; Sibeck, David Gary; Giles, Barbara L.; Pollock, C. J.; Turner, D. L.; Fennell, J. F.; Blake, J. B.; hide

    2016-01-01

    Energetic (greater than tens of keV) magnetospheric particle escape into the magnetosheath occurs commonly, irrespective of conditions that engender reconnection and boundary-normal magnetic fields. A signature observed by the Magnetospheric Multiscale (MMS) mission, simultaneous monohemispheric streaming of multiple species (electrons, H+, Hen+), is reported here as unexpectedly common in the dayside, dusk quadrant of the magnetosheath even though that region is thought to be drift-shadowed from energetic electrons. This signature is sometimes part of a pitch angle distribution evolving from symmetric in the magnetosphere, to asymmetric approaching the magnetopause, to monohemispheric streaming in the magnetosheath. While monohemispheric streaming in the magnetosheath may be possible without a boundary-normal magnetic field, the additional pitch angle depletion, particularly of electrons, on the magnetospheric side requires one. Observations of this signature in the dayside dusk sector imply that the static picture of magnetospheric drift-shadowing is inappropriate for energetic particle dynamics in the outer magnetosphere.

  14. Quinquennial National Program (1990-1994) for the Energetic Modernization

    International Nuclear Information System (INIS)

    1990-01-01

    The Mexican Energetics Sector currently has the eighth possition regarding reserves of hydrocarbons and the sixth regarding oil production, the installed capacity in electricity matters is among the first 20 of the world. The Program established first, a general balance of the situation in which the energetics sector lays today. It also points out the strategic role that this sector holds, as well an on the solutions to the problems faced. This Program establishes the objectives pursued by the energetics sector and that are as follows: to guarantee enough supply of energetics, to strenghten the link between the energetics sector and economy, society and environmental protection, to consolidate an energetics sector that is more current and better integrated. This Program presents the proposal to tend to five priorities: productivity, saving and effective use of energy, financing of the development and expansion of the offer, to diversify sources, as well as an efficient participation in international markets. In the chapter the effort regarding supply and demand of energy, it is evident that the effort made to expand the offer must be great, facing the total demand of energy demonstrated by the figures. For 1994 this demmand is of 31 - 36 % greater to that observed in 1988. Lastly, two statistic documents are enclosed, one historic, with general pointers of the sector, and another with the basic variables for national energy balance

  15. Theoretical investigation of nonequilibrium processes in shock wave in bubbly liquid

    NARCIS (Netherlands)

    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

  16. The non-equilibrium nature of culinary evolution

    Science.gov (United States)

    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.

  17. Non-equilibrium reacting gas flows kinetic theory of transport and relaxation processes

    CERN Document Server

    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.

  18. Effect of magnetic field on charge imbalance relaxation of non-equilibrium superconductivity

    International Nuclear Information System (INIS)

    Tsuboi, Kazuki; Yagi, Ryuta

    2010-01-01

    We have studied relaxation of charge imbalance of non-equilibrium superconductivity in magnetic field. We found that excess current due to charge imbalance showed striking dependence on magnitude of magnetic field and its orientation. We discussed origin of the relaxation.

  19. 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)

  20. The energetic significance of cooking.

    Science.gov (United States)

    Carmody, Rachel N; Wrangham, Richard W

    2009-10-01

    While cooking has long been argued to improve the diet, the nature of the improvement has not been well defined. As a result, the evolutionary significance of cooking has variously been proposed as being substantial or relatively trivial. In this paper, we evaluate the hypothesis that an important and consistent effect of cooking food is a rise in its net energy value. The pathways by which cooking influences net energy value differ for starch, protein, and lipid, and we therefore consider plant and animal foods separately. Evidence of compromised physiological performance among individuals on raw diets supports the hypothesis that cooked diets tend to provide energy. Mechanisms contributing to energy being gained from cooking include increased digestibility of starch and protein, reduced costs of digestion for cooked versus raw meat, and reduced energetic costs of detoxification and defence against pathogens. If cooking consistently improves the energetic value of foods through such mechanisms, its evolutionary impact depends partly on the relative energetic benefits of non-thermal processing methods used prior to cooking. We suggest that if non-thermal processing methods such as pounding were used by Lower Palaeolithic Homo, they likely provided an important increase in energy gain over unprocessed raw diets. However, cooking has critical effects not easily achievable by non-thermal processing, including the relatively complete gelatinisation of starch, efficient denaturing of proteins, and killing of food borne pathogens. This means that however sophisticated the non-thermal processing methods were, cooking would have conferred incremental energetic benefits. While much remains to be discovered, we conclude that the adoption of cooking would have led to an important rise in energy availability. For this reason, we predict that cooking had substantial evolutionary significance.