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Sample records for achieve thermal equilibrium

  1. Techniques for achieving thermal equilibrium in molecular dynamics calculations for solids

    NASA Astrophysics Data System (ADS)

    Wu, Ernest Yue; Friauf, Robert J.

    1990-06-01

    We develop techniques for achieving thermal equilibrium in molecular dynamics calculations for solids. Atoms in a Lennard-Jones solid are initially given random velocities and displacements from their equilibrium positions with suitably scaled Maxwellian distributions. A quantitative criterion for thermal equilibrium of the solid is established by using the equipartition of energy theorem. At high temperatures, thermal expansion is studied, and we introduce a method for adjusting the lattice parameter to ensure zero external pressure. The results of molecular dynamics simulations show agreement with experimental data for rare gas and ionic crystals.

  2. Thermal equilibrium of goats.

    PubMed

    Maia, Alex S C; Nascimento, Sheila T; Nascimento, Carolina C N; Gebremedhin, Kifle G

    2016-05-01

    The effects of air temperature and relative humidity on thermal equilibrium of goats in a tropical region was evaluated. Nine non-pregnant Anglo Nubian nanny goats were used in the study. An indirect calorimeter was designed and developed to measure oxygen consumption, carbon dioxide production, methane production and water vapour pressure of the air exhaled from goats. Physiological parameters: rectal temperature, skin temperature, hair-coat temperature, expired air temperature and respiratory rate and volume as well as environmental parameters: air temperature, relative humidity and mean radiant temperature were measured. The results show that respiratory and volume rates and latent heat loss did not change significantly for air temperature between 22 and 26°C. In this temperature range, metabolic heat was lost mainly by convection and long-wave radiation. For temperature greater than 30°C, the goats maintained thermal equilibrium mainly by evaporative heat loss. At the higher air temperature, the respiratory and ventilation rates as well as body temperatures were significantly elevated. It can be concluded that for Anglo Nubian goats, the upper limit of air temperature for comfort is around 26°C when the goats are protected from direct solar radiation.

  3. Understanding Thermal Equilibrium through Activities

    ERIC Educational Resources Information Center

    Pathare, Shirish; Huli, Saurabhee; Nachane, Madhura; Ladage, Savita; Pradhan, Hemachandra

    2015-01-01

    Thermal equilibrium is a basic concept in thermodynamics. In India, this concept is generally introduced at the first year of undergraduate education in physics and chemistry. In our earlier studies (Pathare and Pradhan 2011 "Proc. episteme-4 Int. Conf. to Review Research on Science Technology and Mathematics Education" pp 169-72) we…

  4. Information-theoretic equilibrium and observable thermalization

    PubMed Central

    Anzà, F.; Vedral, V.

    2017-01-01

    A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light. PMID:28266646

  5. Information-theoretic equilibrium and observable thermalization

    NASA Astrophysics Data System (ADS)

    Anzà, F.; Vedral, V.

    2017-03-01

    A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.

  6. Information-theoretic equilibrium and observable thermalization.

    PubMed

    Anzà, F; Vedral, V

    2017-03-07

    A crucial point in statistical mechanics is the definition of the notion of thermal equilibrium, which can be given as the state that maximises the von Neumann entropy, under the validity of some constraints. Arguing that such a notion can never be experimentally probed, in this paper we propose a new notion of thermal equilibrium, focused on observables rather than on the full state of the quantum system. We characterise such notion of thermal equilibrium for an arbitrary observable via the maximisation of its Shannon entropy and we bring to light the thermal properties that it heralds. The relation with Gibbs ensembles is studied and understood. We apply such a notion of equilibrium to a closed quantum system and show that there is always a class of observables which exhibits thermal equilibrium properties and we give a recipe to explicitly construct them. Eventually, an intimate connection with the Eigenstate Thermalisation Hypothesis is brought to light.

  7. Spatial distribution of thermal energy in equilibrium.

    PubMed

    Bar-Sinai, Yohai; Bouchbinder, Eran

    2015-06-01

    The equipartition theorem states that in equilibrium, thermal energy is equally distributed among uncoupled degrees of freedom that appear quadratically in the system's Hamiltonian. However, for spatially coupled degrees of freedom, such as interacting particles, one may speculate that the spatial distribution of thermal energy may differ from the value predicted by equipartition, possibly quite substantially in strongly inhomogeneous or disordered systems. Here we show that for systems undergoing simple Gaussian fluctuations around an equilibrium state, the spatial distribution is universally bounded from above by 1/2k(B)T. We further show that in one-dimensional systems with short-range interactions, the thermal energy is equally partitioned even for coupled degrees of freedom in the thermodynamic limit and that in higher dimensions nontrivial spatial distributions emerge. Some implications are discussed.

  8. Dynamics of Charged Particles in an Adiabatic Thermal Beam Equilibrium

    NASA Astrophysics Data System (ADS)

    Chen, Chiping; Wei, Haofei

    2010-11-01

    Charged-particle motion is studied in the self-electric and self-magnetic fields of a well-matched, intense charged-particle beam and an applied periodic solenoidal magnetic focusing field. The beam is assumed to be in a state of adiabatic thermal equilibrium. The phase space is analyzed and compared with that of the well-known Kapchinskij-Vladimirskij (KV)-type beam equilibrium. It is found that the widths of nonlinear resonances in the adiabatic thermal beam equilibrium are narrower than those in the KV-type beam equilibrium. Numerical evidence is presented, indicating almost complete elimination of chaotic particle motion in the adiabatic thermal beam equilibrium.

  9. Thermal Equilibrium in Plastic and Glass Microscale Containers

    ERIC Educational Resources Information Center

    Curbelo, Estela; Cerda, Maria F.; Mendez, Eduardo

    2007-01-01

    The study describes the various thermal equilibrium conditions, which should be taken care for while designing or selecting the plastic and glass microscale containers for physical chemistry experiments. The results show that the thermal equilibrium completely depends on the material of the container for the same volume and thickness.

  10. Thermal Conductivity of Gas Mixtures in Chemical Equilibrium

    NASA Technical Reports Server (NTRS)

    Brokaw, Richard S.

    1960-01-01

    The expression for the thermal conductivity of gas mixtures in chemical equilibrium is presented in a simpler and less restrictive form. This new form is shown to be equivalent to the previous equations.

  11. Quantum degenerate exciton-polaritons in thermal equilibrium.

    PubMed

    Deng, Hui; Press, David; Götzinger, Stephan; Solomon, Glenn S; Hey, Rudolf; Ploog, Klaus H; Yamamoto, Yoshihisa

    2006-10-06

    We study the momentum distribution and relaxation dynamics of semiconductor microcavity polaritons by angle-resolved and time-resolved spectroscopy. Above a critical pump level, the thermalization time of polaritons at positive detunings becomes shorter than their lifetime, and the polaritons form a quantum degenerate Bose-Einstein distribution in thermal equilibrium with the lattice.

  12. Thermo-chemical dynamics and chemical quasi-equilibrium of plasmas in thermal non-equilibrium

    NASA Astrophysics Data System (ADS)

    Massot, Marc; Graille, Benjamin; Magin, Thierry E.

    2011-05-01

    We examine both processes of ionization by electron and heavy-particle impact in spatially uniform plasmas at rest in the absence of external forces. A singular perturbation analysis is used to study the following physical scenario, in which thermal relaxation becomes much slower than chemical reactions. First, electron-impact ionization is investigated. The dynamics of the system rapidly becomes close to a slow dynamics manifold that allows for defining a unique chemical quasi-equilibrium for two-temperature plasmas and proving that the second law of thermodynamics is satisfied. Then, all ionization reactions are taken into account simultaneously, leading to a surprising conclusion: the inner layer for short time scale (or time boundary layer) directly leads to thermal equilibrium. Global thermo-chemical equilibrium is reached within a short time scale, involving only chemical reactions, even if thermal relaxation through elastic collisions is assumed to be slow.

  13. Construction of a Non-Equilibrium Thermal Boundary Layer Facility

    NASA Astrophysics Data System (ADS)

    Biles, Drummond; Ebadi, Alireza; Ma, Allen; White, Christopher

    2015-11-01

    A thermally conductive, electrically heated wall-plate forming the bottom wall of a wind tunnel has been constructed and validation tests have been performed. The wall-plate is a sectioned wall design, where each section is independently heated and controlled. Each section consists of an aluminum 6061 plate, an array of resistive heaters affixed to the bottom of the aluminum plate, and a calcium silicate holder used for thermal isolation. Embedded thermocouples in the aluminum plates are used to monitor the wall temperature and for feedback control of wall heating. The wall-plate is used to investigate thermal transport in both equilibrium and non-equilibrium boundary layers. The non-equilibrium boundary layer flow investigated is oscillatory flow produced by a rotor-stator mechanism placed downstream of the test section of the wind tunnel.

  14. Partition functions and concentrations in plasmas out of thermal equilibrium

    SciTech Connect

    Andre, P.

    1995-06-01

    Taking into account the disequilibrium between the temperatures (electronic, rotational, vibrational, translational) in a nitrogen-plasma out of thermal equilibrium, different partition function and chemical potential calculation method are described and applied. From the variation of the temperature hypotheses, their influence on the plasma concentration is shown.

  15. A numerical model of non-equilibrium thermal plasmas. II. Governing equations

    SciTech Connect

    Li HePing; Zhang XiaoNing; Xia Weidong

    2013-03-15

    Governing equations and the corresponding physical properties of the plasmas are both prerequisites for studying the fundamental processes in a non-equilibrium thermal plasma system numerically. In this paper, a kinetic derivation of the governing equations used for describing the complicated thermo-electro-magneto-hydrodynamic-chemical coupling effects in non-equilibrium thermal plasmas is presented. This derivation, which is achieved using the Chapman-Enskog method, is completely consistent with the theory of the transport properties reported in the previous paper by the same authors. It is shown, based on this self-consistent theory, that the definitions of the specific heat at constant pressure and the reactive thermal conductivity of two-temperature plasmas are not necessary. The governing equations can be reduced to their counterparts under local thermodynamic equilibrium (LTE) and local chemical equilibrium (LCE) conditions. The general method for the determination of the boundary conditions of the solved variables is also discussed briefly. The two papers establish a self-consistent physical-mathematical model that describes the complicated physical and chemical processes in a thermal plasma system for the cases both in LTE or LCE conditions and under non-equilibrium conditions.

  16. Dark energy in thermal equilibrium with the cosmological horizon?

    NASA Astrophysics Data System (ADS)

    Poitras, Vincent

    2014-03-01

    According to a generalization of black hole thermodynamics to a cosmological framework, it is possible to define a temperature for the cosmological horizon. The hypothesis of thermal equilibrium between the dark energy and the horizon has been considered by many authors. We find the restrictions imposed by this hypothesis on the energy transfer rate (Qi) between the cosmological fluids, assuming that the temperature of the horizon has the form T =b/2πR, where R is the radius of the horizon. We more specifically consider two types of dark energy: Chaplygin gas (CG) and dark energy with a constant equation of state parameter (wDE). In each case, we show that for a given radius R, there is a unique term Qde that is consistent with thermal equilibrium. We also consider the situation where, in addition to dark energy, other fluids (cold matter, radiation) are in thermal equilibrium with the horizon. We find that the interaction terms required for this will generally violate energy conservation (∑iQi=0).

  17. Equilibrium limit of thermal conduction and boundary scattering in nanostructures.

    PubMed

    Haskins, Justin B; Kınacı, Alper; Sevik, Cem; Çağın, Tahir

    2014-06-28

    Determining the lattice thermal conductivity (κ) of nanostructures is especially challenging in that, aside from the phonon-phonon scattering present in large systems, the scattering of phonons from the system boundary greatly influences heat transport, particularly when system length (L) is less than the average phonon mean free path (MFP). One possible route to modeling κ in these systems is through molecular dynamics (MD) simulations, inherently including both phonon-phonon and phonon-boundary scattering effects in the classical limit. Here, we compare current MD methods for computing κ in nanostructures with both L ⩽ MFP and L ≫ MFP, referred to as mean free path constrained (cMFP) and unconstrained (uMFP), respectively. Using a (10,0) CNT (carbon nanotube) as a benchmark case, we find that while the uMFP limit of κ is well-defined through the use of equilibrium MD and the time-correlation formalism, the standard equilibrium procedure for κ is not appropriate for the treatment of the cMFP limit because of the large influence of boundary scattering. To address this issue, we define an appropriate equilibrium procedure for cMFP systems that, through comparison to high-fidelity non-equilibrium methods, is shown to be the low thermal gradient limit to non-equilibrium results. Further, as a means of predicting κ in systems having L ≫ MFP from cMFP results, we employ an extrapolation procedure based on the phenomenological, boundary scattering inclusive expression of Callaway [Phys. Rev. 113, 1046 (1959)]. Using κ from systems with L ⩽ 3 μm in the extrapolation, we find that the equilibrium uMFP κ of a (10,0) CNT can be predicted within 5%. The equilibrium procedure is then applied to a variety of carbon-based nanostructures, such as graphene flakes (GF), graphene nanoribbons (GNRs), CNTs, and icosahedral fullerenes, to determine the influence of size and environment (suspended versus supported) on κ. Concerning the GF and GNR systems, we find that

  18. Uniformity of the phase space and fluctuations in thermal equilibrium

    NASA Astrophysics Data System (ADS)

    Majka, Arkadiusz; Wiślicki, Wojciech

    2003-05-01

    General relations are found between the measure of the uniformity of distributions on the phase space and the first moments and correlations of extensive variables for systems close to thermal equilibrium. The role played by the parameter of the Renyi entropy for the analysis of their fluctuations and correlations is studied. Analytical results are verified and illustrated by direct simulations of quantum systems of ideal fermions and bosons. Problems of finite statistics, usual in experiments and simulations, are addressed and discussed and solved by finding unbiased estimators for Renyi entropies and uniformities.

  19. Thermal equilibrium and statistical thermometers in special relativity.

    PubMed

    Cubero, David; Casado-Pascual, Jesús; Dunkel, Jörn; Talkner, Peter; Hänggi, Peter

    2007-10-26

    There is an intense debate in the recent literature about the correct generalization of Maxwell's velocity distribution in special relativity. The most frequently discussed candidate distributions include the Jüttner function as well as modifications thereof. Here we report results from fully relativistic one-dimensional molecular dynamics simulations that resolve the ambiguity. The numerical evidence unequivocally favors the Jüttner distribution. Moreover, our simulations illustrate that the concept of "thermal equilibrium" extends naturally to special relativity only if a many-particle system is spatially confined. They make evident that "temperature" can be statistically defined and measured in an observer frame independent way.

  20. Equilibrium statistical-thermal models in high-energy physics

    NASA Astrophysics Data System (ADS)

    Tawfik, Abdel Nasser

    2014-05-01

    We review some recent highlights from the applications of statistical-thermal models to different experimental measurements and lattice QCD thermodynamics that have been made during the last decade. We start with a short review of the historical milestones on the path of constructing statistical-thermal models for heavy-ion physics. We discovered that Heinz Koppe formulated in 1948, an almost complete recipe for the statistical-thermal models. In 1950, Enrico Fermi generalized this statistical approach, in which he started with a general cross-section formula and inserted into it, the simplifying assumptions about the matrix element of the interaction process that likely reflects many features of the high-energy reactions dominated by density in the phase space of final states. In 1964, Hagedorn systematically analyzed the high-energy phenomena using all tools of statistical physics and introduced the concept of limiting temperature based on the statistical bootstrap model. It turns to be quite often that many-particle systems can be studied with the help of statistical-thermal methods. The analysis of yield multiplicities in high-energy collisions gives an overwhelming evidence for the chemical equilibrium in the final state. The strange particles might be an exception, as they are suppressed at lower beam energies. However, their relative yields fulfill statistical equilibrium, as well. We review the equilibrium statistical-thermal models for particle production, fluctuations and collective flow in heavy-ion experiments. We also review their reproduction of the lattice QCD thermodynamics at vanishing and finite chemical potential. During the last decade, five conditions have been suggested to describe the universal behavior of the chemical freeze-out parameters. The higher order moments of multiplicity have been discussed. They offer deep insights about particle production and to critical fluctuations. Therefore, we use them to describe the freeze-out parameters

  1. Thermophysical properties of nitrogen plasmas under thermal equilibrium and non-equilibrium conditions

    SciTech Connect

    Wang Weizong; Rong Mingzhe; Yan, J. D.; Spencer, Joseph W.; Murphy, A. B.

    2011-11-15

    Calculated thermophysical properties of nitrogen plasmas in and out of thermal equilibrium are presented. The cut-off of the partition functions due to the lowering of the ionization potential has been taken into account, together with the contributions from different core excited electronic states. The species composition and thermodynamic properties are determined numerically using the Newton-Raphson iterative method, taking into account the corrections due to Coulomb interactions. The transport properties including diffusion coefficient, viscosity, thermal conductivity, and electrical conductivity are calculated using the most recent collision interaction potentials by adopting Devoto's electron and heavy particle decoupling approach, expanded to the third-order approximation (second-order for viscosity) in the framework of Chapman-Enskog method. Results are presented in the pressure range of 0.1 atm-10 atm and in electron temperature range from 300 to 40 000 K, with the ratio of electron temperature to heavy-particle temperature varied from 1 to 20. Results are compared with those from previous works, and the influences of different definitions of the Debye length are discussed.

  2. Determination of Viral Capsid Elastic Properties from Equilibrium Thermal Fluctuations

    NASA Astrophysics Data System (ADS)

    May, Eric R.; Brooks, Charles L., III

    2011-05-01

    We apply two-dimensional elasticity theory to viral capsids to develop a framework for calculating elastic properties of viruses from equilibrium thermal fluctuations of the capsid surface in molecular dynamics and elastic network model trajectories. We show that the magnitudes of the long wavelength modes of motion available in a simulation with all atomic degrees of freedom are recapitulated by an elastic network model. For the mode spectra to match, the elastic network model must be scaled appropriately by a factor which can be determined from an icosahedrally constrained all-atom simulation. With this method we calculate the two-dimensional Young’s modulus Y, bending modulus κ, and Föppl-von Kármán number γ, for the T=1 mutant of the Sesbania mosaic virus. The values determined are in the range of previous theoretical estimates.

  3. Thermal Non-equilibrium Consistent with Widespread Cooling

    NASA Technical Reports Server (NTRS)

    Winebarger, A.; Lionello, R.; Mikic, Z.; Linker, J.; Mok, Y.

    2014-01-01

    Time correlation analysis has been used to show widespread cooling in the solar corona; this cooling has been interpreted as a result of impulsive (nanoflare) heating. In this work, we investigate wide-spread cooling using a 3D model for a solar active region which has been heated with highly stratified heating. This type of heating drives thermal non-equilibrium solutions, meaning that though the heating is effectively steady, the density and temperature in the solution are not. We simulate the expected observations in narrowband EUV images and apply the time correlation analysis. We find that the results of this analysis are qualitatively similar to the observed data. We discuss additional diagnostics that may be applied to differentiate between these two heating scenarios.

  4. Path integral Liouville dynamics for thermal equilibrium systems

    SciTech Connect

    Liu, Jian

    2014-06-14

    We show a new imaginary time path integral based method—path integral Liouville dynamics (PILD), which can be derived from the equilibrium Liouville dynamics [J. Liu and W. H. Miller, J. Chem. Phys. 134, 104101 (2011)] in the Wigner phase space. Numerical tests of PILD with the simple (white noise) Langevin thermostat have been made for two strongly anharmonic model problems. Since implementation of PILD does not request any specific form of the potential energy surface, the results suggest that PILD offers a potentially useful approach for general condensed phase molecular systems to have the two important properties: conserves the quantum canonical distribution and recovers exact thermal correlation functions (of even nonlinear operators, i.e., nonlinear functions of position or momentum operators) in the classical, high temperature, and harmonic limits.

  5. Thermal Effect in Lipkin Model. I --- Thermal Equilibrium State and Phase Transition ---

    NASA Astrophysics Data System (ADS)

    Kuriyama, A.; Provid234ncia, J. D.; Tsue, Y.; Yamamura, M.

    1995-12-01

    We study the thermal effect with the use of Lipkin model. We define the density and entropy operator associated with the mixed state representation of Lipkin model, which has been developed with the aid of auxiliary fermion field. We investigate the thermal equilibrium state and its phase transition. In super phase, the thermal effect breaks the particle-hole pairs with coupled angular momentum 0 and does not lift up nucleons from the lower level to upper one, contrary to the case of normal phase.

  6. Thermal equilibrium of a cryogenic magnetized pure electron plasma

    NASA Technical Reports Server (NTRS)

    Dubin, D. H. E.; Oneil, T. M.

    1986-01-01

    The thermal equilibrium correlation properties of a magnetically confined pure electron plasma (McPEP) are related to those of a one-component plasma (OCP). The N-particle spatial distribution rho sub s and the Helmholtz free energy F are evaluated for the McPEP to O(lambda sub d-squared/a-squared), where lambda sub d is the thermal de Broglie wavelength and is an interparticle spacing. The electron gyromotion is allowed to be fully quantized while the guiding center motion is quasi-classical. The distribution rho sub s is shown to be identical to that of a classical OCP with a slightly modified potential. To O(lambda sub d-squared/a-squared) this modification does not affect that part of F that is caused by correlations, as long as certain requirements concerning the size of the plasma are met. This theory is motivated by a current series of experiments that involve the cooling of a magnetically confined pure electron plasma to the cryogenic temperature range.

  7. Establishing isothermal contact at a known temperature under thermal equilibrium in elevated temperature instrumented indentation testing

    NASA Astrophysics Data System (ADS)

    Hou, X. D.; Alvarez, C. L. M.; Jennett, N. M.

    2017-02-01

    Instrumented indentation testing (IIT) at elevated temperatures has proved to be a useful tool to study plastic and elastic deformation and understand the performance of material components at (or nearer to) the actual temperatures experienced in-service. The value of elevated temperature IIT data, however, depends on the ability not only to achieve a stable, isothermal indentation contact at thermal equilibrium when taking data, but to be able to assign a valid temperature to that contact (and so to the data). The most common method found in the current literature is to use the calculated thermal drift rate as an indicator, but this approach has never been properly validated. This study proves that using the thermal drift rate to determine isothermal contact may lead to large errors in the determination of the real contact temperature. Instead, a more sensitive and validated method is demonstrated, based upon using the indenter tip and the tip heater control thermocouple as a reproducible and calibrated contact temperature sensor. A simple calibration procedure is described, along with step by step guidance to establish an isothermal contact at a known temperature under thermal equilibrium when conducting elevated temperature IIT experiments.

  8. Student Misconceptions in Chemical Equilibrium as Related to Cognitive Level and Achievement.

    ERIC Educational Resources Information Center

    Wheeler, Alan E.; Kass, Heidi

    Reported is an investigation to determine the nature and extent of student misconceptions in chemical equilibrium and to ascertain the degree to which certain misconceptions are related to chemistry achievement and to performance on specific tasks involving cognitive transformations characteristic of the concrete and formal operational stages of…

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

    SciTech Connect

    Bresme, F.; Armstrong, J.

    2014-01-07

    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.

  10. Evaporation from Soils Under Thermal Boundary Conditions: Experimental and Modeling Investigation to Compare Equilibrium and Non-Equilibrium Based Approaches

    NASA Astrophysics Data System (ADS)

    Smits, K. M.; Cihan, A.; Sakaki, T.; Illangasekare, T. H.

    2010-12-01

    In the shallow subsurface immediately below the land-atmosphere interface, it is widely recognized that the movement of water vapor is closely coupled to thermal processes. However, their mutual interactions are rarely considered in most soil water modeling efforts or in practical applications where it becomes necessary to understand and predict the spatial and temporal distribution of soil moisture. The validation of numerical models that are designed to capture these processes is difficult due to the inherent complexities of the problem in field systems and the scarcity of field or laboratory data with accurately known hydraulic and thermal parameters of soils, thus limiting the testing and refinement of heat and water transfer theories. In addition, it is often assumed in traditional soil physics applications that water vapor concentration in the air adjacent to the water phase in soil pores is always in equilibrium with liquid water, i.e., vaporization occurs instantaneously, which can result in over prediction of evaporation from soil. The goal of this work is to perform controlled experiments under transient conditions of soil moisture and temperature using soil with accurately known hydraulic/thermal properties and use this data to test existing theories and develop appropriate numerical models. In this work, water vapor flow under varying temperature gradients was implemented based on a concept that allows non-equilibrium liquid/gas phase change with gas phase vapor diffusion. In order to validate this new approach, we developed a long column apparatus equipped with a network of sensors and generated data under well-controlled thermal boundary conditions at the soil surface. Water saturation, capillary pressure, temperature, relative humidity and column weight to record total mass of water in the column were continuously monitored. Results from numerical simulations based on the conventional equilibrium and non-equilibrium approaches were compared with

  11. Static analysis of possible emittance growth of intense charged particle beams with thermal equilibrium distribution

    SciTech Connect

    Kikuchi, Takashi; Horioka, Kazuhiko

    2009-05-15

    Possible emittance growths of intense, nonuniform beams during a transport in a focusing channel are derived as a function of nonlinear field energy and space charge tune depression factors. The nonlinear field energy of the beam with thermal equilibrium distribution is estimated by considering the particle distribution across the cross section of the beam. The results show that the possible emittance growth can be suppressed by keeping the beam particle in thermal equilibrium distribution during the beam transport.

  12. Review of biomaterial thermal property measurements in the cryogenic regime and their use for prediction of equilibrium and non-equilibrium freezing applications in cryobiology.

    PubMed

    Choi, Jeunghwan; Bischof, John C

    2010-02-01

    It is well accepted in cryobiology that the temperature history and cooling rates experienced in biomaterials during freezing procedures correlate strongly with biological outcome. Therefore, heat transfer measurement and prediction in the cryogenic regime is central to the field. Although direct measurement of temperature history (i.e. heat transfer) can be performed, accuracy is usually achieved only for local measurements within a given system and cannot be readily generalized to another system without the aid of predictive models. The accuracy of these models rely upon thermal properties which are known to be highly dependent on temperature, and in the case of significant cryoprotectant loading, also on crystallized fraction. In this work, we review the available thermal properties of biomaterials in the cryogenic regime. The review shows a lack of properties for many biomaterials in the subzero temperature domain, and especially for systems with cryoprotective agents. Unfortunately, use of values from the limited data available (usually only down to -40 degrees C) lead to an underestimation of thermal property change (i.e. conductivity rise and specific heat drop due to ice crystallization) with lower temperatures. Conversely, use of surrogate values based solely on ice thermal properties lead to an overestimation of thermal property change for most biomaterials. Additionally, recent work extending the range of available thermal properties to -150 degrees C has shown that the thermal conductivity will drop in both PBS and tissue (liver) due to amorphous/glassy phases (versus crystalline) of biomaterials with the addition of cryoprotective additives such as glycerol. Thus, we investigated the implications of using approximated or constant property values versus measured temperature-dependent values for predicting temperature history during freezing in PBS (phosphate-buffered saline) and porcine liver with and without cryoprotectants (glycerol). Using measured

  13. Geometrically thin, hot accretion disks - Topology of the thermal equilibrium curves

    NASA Technical Reports Server (NTRS)

    Kusunose, Masaaki; Mineshige, Shin

    1992-01-01

    All the possible thermal equilibrium states of geometrically thin alpha-disks around stellar-mass black holes are presented. A (vertically) one-zone disk model is employed and it is assumed that a main energy source is viscous heating of protons and that cooling is due to bremsstrahlung and Compton scattering. There exist various branches of the thermal equilibrium solution, depending on whether disks are effectively optically thick or thin, radiation pressure-dominated or gas pressure-dominated, composed of one-temperature plasmas or of two-temperature plasmas, and with high concentration of e(+)e(-) pairs or without pairs. The thermal equilibrium curves at high temperatures (greater than or approximately equal to 10 exp 8 K) are substantially modified by the presence of e(+)e(-) pairs. The thermal stability of these branches are examined.

  14. Hall instability of a weakly ionized, rotating disk with equilibrium pressure stratification and thermal loss

    SciTech Connect

    Bora, Madhurjya P.; Buzar Baruah, Manasi

    2011-01-15

    A linear stability analysis of a thin rotating Keplerian disk is presented in the framework of Hall-magnetohydrodynamics with equilibrium pressure stratification and radiative cooling. Anisotropic pressure is considered in view of a stronger axial magnetic field. The analysis is relevant in studying the stability of protoplanetary disks. It has been shown that the equilibrium pressure stratification determines the growth rate of the Hall instability. With radiative loss, the thermal modes are affected by the Hall mode and the classical instability conditions.

  15. Transition from thermal to turbulent equilibrium with a resulting electromagnetic spectrum

    SciTech Connect

    Ziebell, L. F.; Yoon, P. H.; Gaelzer, R.; Pavan, J.

    2014-01-15

    A recent paper [Ziebell et al., Phys. Plasmas 21, 010701 (2014)] discusses a new type of radiation emission process for plasmas in a state of quasi-equilibrium between the particles and enhanced Langmuir turbulence. Such a system may be an example of the so-called “turbulent quasi-equilibrium.” In the present paper, it is shown on the basis of electromagnetic weak turbulence theory that an initial thermal equilibrium state (i.e., only electrostatic fluctuations and Maxwellian particle distributions) transitions toward the turbulent quasi-equilibrium state with enhanced electromagnetic radiation spectrum, thus demonstrating that the turbulent quasi-equilibrium discussed in the above paper correctly describes the weakly turbulent plasma dynamically interacting with electromagnetic fluctuations, while maintaining a dynamical steady-state in the average sense.

  16. Experimental measurements of a non-equilibrium thermal boundary layer flow

    NASA Astrophysics Data System (ADS)

    Biles, Drummond; Ebadi, Alireza; Whie, Chris

    2016-11-01

    Data from a newly constructed non-equilibrium and thermal boundary layer wind tunnel is presented. The bottom wall of the tunnel is a sectioned-wall design composed of twelve aluminum 6061 plates with resistive heaters adhered to their underside. Each section is heated and controlled using independent feedback loop controllers. The freestream temperature is controlled by an upstream array of resistive heaters and a feedback controller. Experimental data with strong perturbations that produce non-equilibrium boundary layer flow behaviors is presented. Data for ZPG conditions are provided for validation purposes, and the effects of non-equilibrium behaviors on the transport of momentum and heat are discussed.

  17. Bose-Einstein Condensation of Long-Lifetime Polaritons in Thermal Equilibrium.

    PubMed

    Sun, Yongbao; Wen, Patrick; Yoon, Yoseob; Liu, Gangqiang; Steger, Mark; Pfeiffer, Loren N; West, Ken; Snoke, David W; Nelson, Keith A

    2017-01-06

    The experimental realization of Bose-Einstein condensation (BEC) with atoms and quasiparticles has triggered wide exploration of macroscopic quantum effects. Microcavity polaritons are of particular interest because quantum phenomena such as BEC and superfluidity can be observed at elevated temperatures. However, polariton lifetimes are typically too short to permit thermal equilibration. This has led to debate about whether polariton condensation is intrinsically a nonequilibrium effect. Here we report the first unambiguous observation of BEC of optically trapped polaritons in thermal equilibrium in a high-Q microcavity, evidenced by equilibrium Bose-Einstein distributions over broad ranges of polariton densities and bath temperatures. With thermal equilibrium established, we verify that polariton condensation is a phase transition with a well-defined density-temperature phase diagram. The measured phase boundary agrees well with the predictions of basic quantum gas theory.

  18. Bose-Einstein Condensation of Long-Lifetime Polaritons in Thermal Equilibrium

    NASA Astrophysics Data System (ADS)

    Sun, Yongbao; Wen, Patrick; Yoon, Yoseob; Liu, Gangqiang; Steger, Mark; Pfeiffer, Loren N.; West, Ken; Snoke, David W.; Nelson, Keith A.

    2017-01-01

    The experimental realization of Bose-Einstein condensation (BEC) with atoms and quasiparticles has triggered wide exploration of macroscopic quantum effects. Microcavity polaritons are of particular interest because quantum phenomena such as BEC and superfluidity can be observed at elevated temperatures. However, polariton lifetimes are typically too short to permit thermal equilibration. This has led to debate about whether polariton condensation is intrinsically a nonequilibrium effect. Here we report the first unambiguous observation of BEC of optically trapped polaritons in thermal equilibrium in a high-Q microcavity, evidenced by equilibrium Bose-Einstein distributions over broad ranges of polariton densities and bath temperatures. With thermal equilibrium established, we verify that polariton condensation is a phase transition with a well-defined density-temperature phase diagram. The measured phase boundary agrees well with the predictions of basic quantum gas theory.

  19. Thermal conductance at the interface between crystals using equilibrium and nonequilibrium molecular dynamics

    NASA Astrophysics Data System (ADS)

    Merabia, Samy; Termentzidis, Konstantinos

    2012-09-01

    In this article, we compare the results of nonequilibrium (NEMD) and equilibrium (EMD) molecular dynamics methods to compute the thermal conductance at the interface between solids. We propose to probe the thermal conductance using equilibrium simulations measuring the decay of the thermally induced energy fluctuations of each solid. We also show that NEMD and EMD give generally speaking inconsistent results for the thermal conductance: Green-Kubo simulations probe the Landauer conductance between two solids which assumes phonons on both sides of the interface to be at equilibrium. On the other hand, we show that NEMD give access to the out-of-equilibrium interfacial conductance consistent with the interfacial flux describing phonon transport in each solid. The difference may be large and reaches typically a factor 5 for interfaces between usual semiconductors. We analyze finite size effects for the two determinations of the interfacial thermal conductance, and show that the equilibrium simulations suffer from severe size effects as compared to NEMD. We also compare the predictions of the two above-mentioned methods—EMD and NEMD—regarding the interfacial conductance of a series of mass mismatched Lennard-Jones solids. We show that the Kapitza conductance obtained with EMD can be well described using the classical diffuse mismatch model (DMM). On the other hand, NEMD simulation results are consistent with an out-of-equilibrium generalization of the acoustic mismatch model (AMM). These considerations are important in rationalizing previous results obtained using molecular dynamics, and help in pinpointing the physical scattering mechanisms taking place at atomically perfect interfaces between solids, which is a prerequisite to understand interfacial heat transfer across real interfaces.

  20. The effects of thermal equilibrium and contrast in LWIR polarimetric images.

    PubMed

    Tyo, J Scott; Ratliff, Bradley M; Boger, James K; Black, Wiley T; Bowers, David L; Fetrow, Matthew P

    2007-11-12

    Long-wave infrared (LWIR) polarimetric signatures provide the potential for day-night detection and identification of objects in remotely sensed imagery. The source of optical energy in the LWIR is usually due to thermal emission from the object in question, which makes the signature dependent primarily on the target and not on the external environment. In this paper we explore the impact of thermal equilibrium and the temperature of (unseen) background objects on LWIR polarimetric signatures. We demonstrate that an object can completely lose its polarization signature when it is in thermal equilibrium with its optical background, even if it has thermal contrast with the objects that appear behind it in the image.

  1. Resource theory of quantum states out of thermal equilibrium.

    PubMed

    Brandão, Fernando G S L; Horodecki, Michał; Oppenheim, Jonathan; Renes, Joseph M; Spekkens, Robert W

    2013-12-20

    The ideas of thermodynamics have proved fruitful in the setting of quantum information theory, in particular the notion that when the allowed transformations of a system are restricted, certain states of the system become useful resources with which one can prepare previously inaccessible states. The theory of entanglement is perhaps the best-known and most well-understood resource theory in this sense. Here, we return to the basic questions of thermodynamics using the formalism of resource theories developed in quantum information theory and show that the free energy of thermodynamics emerges naturally from the resource theory of energy-preserving transformations. Specifically, the free energy quantifies the amount of useful work which can be extracted from asymptotically many copies of a quantum system when using only reversible energy-preserving transformations and a thermal bath at fixed temperature. The free energy also quantifies the rate at which resource states can be reversibly interconverted asymptotically, provided that a sublinear amount of coherent superposition over energy levels is available, a situation analogous to the sublinear amount of classical communication required for entanglement dilution.

  2. Thermal Equilibrium of a Macroscopic Quantum System in a Pure State

    NASA Astrophysics Data System (ADS)

    Goldstein, Sheldon; Huse, David A.; Lebowitz, Joel L.; Tumulka, Roderich

    2015-09-01

    We consider the notion of thermal equilibrium for an individual closed macroscopic quantum system in a pure state, i.e., described by a wave function. The macroscopic properties in thermal equilibrium of such a system, determined by its wave function, must be the same as those obtained from thermodynamics, e.g., spatial uniformity of temperature and chemical potential. When this is true we say that the system is in macroscopic thermal equilibrium (MATE). Such a system may, however, not be in microscopic thermal equilibrium (MITE). The latter requires that the reduced density matrices of small subsystems be close to those obtained from the microcanonical, equivalently the canonical, ensemble for the whole system. The distinction between MITE and MATE is particularly relevant for systems with many-body localization for which the energy eigenfuctions fail to be in MITE while necessarily most of them, but not all, are in MATE. We note, however, that for generic macroscopic systems, including those with MBL, most wave functions in an energy shell are in both MATE and MITE. For a classical macroscopic system, MATE holds for most phase points on the energy surface, but MITE fails to hold for any phase point.

  3. Thermal Equilibrium of a Macroscopic Quantum System in a Pure State.

    PubMed

    Goldstein, Sheldon; Huse, David A; Lebowitz, Joel L; Tumulka, Roderich

    2015-09-04

    We consider the notion of thermal equilibrium for an individual closed macroscopic quantum system in a pure state, i.e., described by a wave function. The macroscopic properties in thermal equilibrium of such a system, determined by its wave function, must be the same as those obtained from thermodynamics, e.g., spatial uniformity of temperature and chemical potential. When this is true we say that the system is in macroscopic thermal equilibrium (MATE). Such a system may, however, not be in microscopic thermal equilibrium (MITE). The latter requires that the reduced density matrices of small subsystems be close to those obtained from the microcanonical, equivalently the canonical, ensemble for the whole system. The distinction between MITE and MATE is particularly relevant for systems with many-body localization for which the energy eigenfuctions fail to be in MITE while necessarily most of them, but not all, are in MATE. We note, however, that for generic macroscopic systems, including those with MBL, most wave functions in an energy shell are in both MATE and MITE. For a classical macroscopic system, MATE holds for most phase points on the energy surface, but MITE fails to hold for any phase point.

  4. Influence of temperature on the single-stage ATAD process predicted by a thermal equilibrium model.

    PubMed

    Cheng, Jiehong; Zhu, Jun; Kong, Feng; Zhang, Chunyong

    2015-06-01

    Autothermal thermophilic aerobic digestion (ATAD) is a promising biological process that will produce an effluent satisfying the Class A requirements on pathogen control and land application. The thermophilic temperature in an ATAD reactor is one of the critical factors that can affect the satisfactory operation of the ATAD process. This paper established a thermal equilibrium model to predict the effect of variables on the auto-rising temperature in an ATAD system. The reactors with volumes smaller than 10 m(3) could not achieve temperatures higher than 45 °C under ambient temperature of -5 °C. The results showed that for small reactors, the reactor volume played a key role in promoting auto-rising temperature in the winter. Thermophilic temperature achieved in small ATAD reactors did not entirely depend on the heat release from biological activities during degrading organic matters in sludges, but was related to the ambient temperature. The ratios of surface area-to-effective volume less than 2.0 had less impact on the auto-rising temperature of an ATAD reactor. The influence of ambient temperature on the auto-rising reactor temperature decreased with increasing reactor volumes. High oxygen transfer efficiency had a significant influence on the internal temperature rise in an ATAD system, indicating that improving the oxygen transfer efficiency of aeration devices was a key factor to achieve a higher removal rate of volatile solids (VS) during the ATAD process operation. Compared with aeration using cold air, hot air demonstrated a significant effect on maintaining the internal temperature (usually 4-5 °C higher).

  5. Out-of-equilibrium relaxation of the thermal Casimir effect in a model polarizable material.

    PubMed

    Dean, David S; Démery, Vincent; Parsegian, V Adrian; Podgornik, Rudolf

    2012-03-01

    Relaxation of the thermal Casimir or van der Waals force (the high temperature limit of the Casimir force) for a model dielectric medium is investigated. We start with a model of interacting polarization fields with a dynamics that leads to a frequency dependent dielectric constant of the Debye form. In the static limit, the usual zero frequency Matsubara mode component of the Casimir force is recovered. We then consider the out-of-equilibrium relaxation of the van der Waals force to its equilibrium value when two initially uncorrelated dielectric bodies are brought into sudden proximity. For the interaction between dielectric slabs, it is found that the spatial dependence of the out-of-equilibrium force is the same as the equilibrium one, but it has a time dependent amplitude, or Hamaker coefficient, which increases in time to its equilibrium value. The final relaxation of the force to its equilibrium value is exponential in systems with a single or finite number of polarization field relaxation times. However, in systems, such as those described by the Havriliak-Negami dielectric constant with a broad distribution of relaxation times, we observe a much slower power law decay to the equilibrium value.

  6. Convex Decompositions of Thermal Equilibrium for Non-interacting Non-relativistic Particles

    NASA Astrophysics Data System (ADS)

    Chenu, Aurelia; Branczyk, Agata; Sipe, John

    2016-05-01

    We provide convex decompositions of thermal equilibrium for non-interacting non-relativistic particles in terms of localized wave packets. These quantum representations offer a new tool and provide insights that can help relate to the classical picture. Considering that thermal states are ubiquitous in a wide diversity of fields, studying different convex decompositions of the canonical ensemble is an interesting problem by itself. The usual classical and quantum pictures of thermal equilibrium of N non-interacting, non-relativistic particles in a box of volume V are quite different. The picture in classical statistical mechanics is about (localized) particles with a range of positions and velocities; in quantum statistical mechanics, one considers the particles (bosons or fermions) associated with energy eigenstates that are delocalized through the whole box. Here we provide a representation of thermal equilibrium in quantum statistical mechanics involving wave packets with a localized coordinate representation and an expectation value of velocity. In addition to derive a formalism that may help simplify particular calculations, our results can be expected to provide insights into the transition from quantum to classical features of the fully quantum thermal state.

  7. Steady State Transportation Cooling in Porous Media Under Local, Non-Thermal Equilibrium Fluid Flow

    NASA Technical Reports Server (NTRS)

    Rodriquez, Alvaro Che

    2002-01-01

    An analytical solution to the steady-state fluid temperature for 1-D (one dimensional) transpiration cooling has been derived. Transpiration cooling has potential use in the aerospace industry for protection against high heating environments for re-entry vehicles. Literature for analytical treatments of transpiration cooling has been largely confined to the assumption of thermal equilibrium between the porous matrix and fluid. In the present analysis, the fundamental fluid and matrix equations are coupled through a volumetric heat transfer coefficient and investigated in non-thermal equilibrium. The effects of varying the thermal conductivity of the solid matrix and the heat transfer coefficient are investigated. The results are also compared to existing experimental data.

  8. NUMERICAL SOLUTION FOR THE POTENTIAL AND DENSITY PROFILE OF A THERMAL EQUILIBRIUM SHEET BEAM

    SciTech Connect

    Lund, S M; Bazouin, G

    2011-03-29

    In a recent paper, S. M. Lund, A. Friedman, and G. Bazouin, Sheet beam model for intense space-charge: with application to Debye screening and the distribution of particle oscillation frequencies in a thermal equilibrium beam, in press, Phys. Rev. Special Topics - Accel. and Beams (2011), a 1D sheet beam model was extensively analyzed. In this complementary paper, we present details of a numerical procedure developed to construct the self-consistent electrostatic potential and density profile of a thermal equilibrium sheet beam distribution. This procedure effectively circumvents pathologies which can prevent use of standard numerical integration techniques when space-charge intensity is high. The procedure employs transformations and is straightforward to implement with standard numerical methods and produces accurate solutions which can be applied to thermal equilibria with arbitrarily strong space-charge intensity up to the applied focusing limit.

  9. NUMERICAL SOLUTION FOR THE POTENTIAL AND DENSITY PROFILE OF A THERMAL EQUILIBRIUM SHEET BEAM

    SciTech Connect

    Bazouin, Steven M. Lund, Guillaume; Bazouin, Guillaume

    2011-04-01

    In a recent paper, S. M. Lund, A. Friedman, and G. Bazouin, Sheet beam model for intense space-charge: with application to Debye screening and the distribution of particle oscillation frequencies in a thermal equilibrium beam, in press, Phys. Rev. Special Topics - Accel. and Beams (2011), a 1D sheet beam model was extensively analyzed. In this complementary paper, we present details of a numerical procedure developed to construct the self-consistent electrostatic potential and density profile of a thermal equilibrium sheet beam distribution. This procedure effectively circumvents pathologies which can prevent use of standard numerical integration techniques when space-charge intensity is high. The procedure employs transformations and is straightforward to implement with standard numerical methods and produces accurate solutions which can be applied to thermal equilibria with arbitrarily strong space-charge intensity up to the applied focusing limit.

  10. Thermal equilibrium and temperature differences among body regions in European plethodontid salamanders.

    PubMed

    Lunghi, Enrico; Manenti, Raoul; Canciani, Giancarlo; Scarì, Giorgio; Pennati, Roberta; Ficetola, Gentile Francesco

    2016-08-01

    Information on species thermal physiology is extremely important to understand species responses to environmental heterogeneity and changes. Thermography is an emerging technology that allows high resolution and accurate measurement of body temperature, but until now it has not been used to study thermal physiology of amphibians in the wild. Hydromantes terrestrial salamanders are strongly depending on ambient temperature for their activity and gas exchanges, but information on their body temperature is extremely limited. In this study we tested if Hydromantes salamanders are thermoconform, we assessed whether there are temperature differences among body regions, and evaluated the time required to reach the thermal equilibrium. During summers of 2014 and 2015 we analysed 56 salamanders (Hydromantes ambrosii and Hydromantes italicus) using infrared thermocamera. We photographed salamanders at the moment in which we found them and 1, 2, 3, 4, 5 and 15min after having kept them in the hands. Body temperature was equal to air temperature; salamanders attained the equilibrium with air temperature in about 8min, the time required to reach equilibrium was longer in individuals with large body size. We detected small temperature differences between body parts, the head being slightly warmer than the body and the tail (mean difference: 0.05°C). These salamanders quickly reach the equilibrium with the environment, thus microhabitat measurement allows obtaining accurate information on their tolerance limits.

  11. Dynamic Off-Equilibrium Transition in Systems Slowly Driven across Thermal First-Order Phase Transitions

    NASA Astrophysics Data System (ADS)

    Pelissetto, Andrea; Vicari, Ettore

    2017-01-01

    We study the off-equilibrium behavior of systems with short-range interactions, slowly driven across a thermal first-order transition, where the equilibrium dynamics is exponentially slow. We consider a dynamics that starts in the high-T phase at time t =ti<0 and ends at t =tf>0 in the low-T phase, with a time-dependent temperature T (t )/Tc≈1 -t /ts, where ts is the protocol time scale. A general off-equilibrium scaling (OS) behavior emerges in the limit of large ts. We check it at the first-order transition of the two-dimensional q -state Potts model with q =20 and 10. The numerical results show evidence of a dynamic transition, where the OS functions show a spinodal-like singularity. Therefore, the general mean-field picture valid for systems with long-range interactions is qualitatively recovered, provided the time dependence is appropriately (logarithmically) rescaled.

  12. Strange scaling and relaxation of finite-size fluctuation in thermal equilibrium

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Yoshiyuki Y.

    2016-07-01

    We numerically exhibit two strange phenomena of finite-size fluctuation in thermal equilibrium of a paradigmatic long-range interacting system having a second-order phase transition. One is a nonclassical finite-size scaling at the critical point, which differs from the prediction by statistical mechanics. With the aid of this strange scaling, the scaling theory for infinite-range models conjectures the nonclassical values of critical exponents for the correlation length. The other is relaxation of the fluctuation strength from one level to another in spite of being in thermal equilibrium. A scenario is proposed to explain these phenomena from the viewpoint of the Casimir invariants and their nonexactness in finite-size systems, where the Casimir invariants are conserved in the Vlasov dynamics describing the long-range interacting systems in the limit of large population. This scenario suggests appearance of the reported phenomena in a wide class of isolated long-range interacting systems.

  13. The thermal-like equilibrium universe in f(R) gravity

    NASA Astrophysics Data System (ADS)

    Wei, Yi-Huan; Zhao, Jia-Xin; Cui, Xiao

    2016-10-01

    Some problems of the thermal-like equilibrium (TLE) universe in f(R) gravity are studied. Given the energy density of the TLE universe, the late-time form of f(R) is obtained. For the TLE universe driven by the non-relativistic matter, the energy of the apparent horizon (AH) and the ratio between it and the energy inside the AH are calculated.

  14. Non-local thermodynamic equilibrium effects on isentropic coefficient in argon and helium thermal plasmas

    SciTech Connect

    Sharma, Rohit; Singh, Kuldip

    2014-03-15

    In the present work, two cases of thermal plasma have been considered; the ground state plasma in which all the atoms and ions are assumed to be in the ground state and the excited state plasma in which atoms and ions are distributed over various possible excited states. The variation of Zγ, frozen isentropic coefficient and the isentropic coefficient with degree of ionization and non-equilibrium parameter θ(= T{sub e}/T{sub h}) has been investigated for the ground and excited state helium and argon plasmas at pressures 1 atm, 10 atm, and 100 atm in the temperature range from 6000 K to 60 000 K. For a given value of non-equilibrium parameter, the relationship of Zγ with degree of ionization does not show any dependence on electronically excited states in helium plasma whereas in case of argon plasma this dependence is not appreciable till degree of ionization approaches 2. The minima of frozen isentropic coefficient shifts toward lower temperature with increase of non-equilibrium parameter for both the helium and argon plasmas. The lowering of non-equilibrium parameter decreases the frozen isentropic coefficient more emphatically in helium plasma at high pressures in comparison to argon plasma. The increase of pressure slightly reduces the ionization range over which isentropic coefficient almost remains constant and it does not affect appreciably the dependence of isentropic coefficient on non-equilibrium parameter.

  15. Thermal boundary resistance in Si/Ge interfaces determined by approach-to-equilibrium simulations

    NASA Astrophysics Data System (ADS)

    Puligheddu, Marcello; Hahn, Konstanze; Melis, Claudio; Colombo, Luciano

    2015-03-01

    Nanostructured materials hold great promises as efficient thermoelectrics. In such materials, the propagation of phonons is hindered by the internal interfaces (grain boundaries), leading to a reduced overall thermal conductivity and, therefore, to a larger figure of merit. Any further improvement in this field does, however, require a better fundamental understanding of the specific interface effects on thermal transport. In the present work we use approach-to-equilibrium molecular dynamics simulations (AEMD) to investigate the interfacial thermal resistance (ITR) of Si/Ge interfaces, occurring in very promising nanostructured SiGe alloys. We discuss how ITR depends on the thickness of the interface layer, as well as on its composition. Furthermore, the effect of the heat flux direction has been investigated at ambient temperature showing lower ITR for thermal transport from Si to Ge than vice versa. This feature is discussed in connection to possible rectification effects. Present address: The Institute for Molecular Engineering, University of Chicago.

  16. Equilibrium Limit of Boundary Scattering in Carbon Nanostructures: Molecular Dynamics Calculations of Thermal Transport

    NASA Technical Reports Server (NTRS)

    Haskins, Justin; Kinaci, Alper; Sevik, Cem; Cagin, Tahir

    2012-01-01

    It is widely known that graphene and many of its derivative nanostructures have exceedingly high reported thermal conductivities (up to 4000 W/mK at 300 K). Such attractive thermal properties beg the use of these structures in practical devices; however, to implement these materials while preserving transport quality, the influence of structure on thermal conductivity should be thoroughly understood. For graphene nanostructures, having average phonon mean free paths on the order of one micron, a primary concern is how size influences the potential for heat conduction. To investigate this, we employ a novel technique to evaluate the lattice thermal conductivity from the Green-Kubo relations and equilibrium molecular dynamics in systems where phonon-boundary scattering dominates heat flow. Specifically, the thermal conductivities of graphene nanoribbons and carbon nanotubes are calculated in sizes up to 3 microns, and the relative influence of boundary scattering on thermal transport is determined to be dominant at sizes less than 1 micron, after which the thermal transport largely depends on the quality of the nanostructure interface. The method is also extended to carbon nanostructures (fullerenes) where phonon confinement, as opposed to boundary scattering, dominates, and general trends related to the influence of curvature on thermal transport in these materials are discussed.

  17. Heat Transfer and Fluid Transport of Supercritical CO2 in Enhanced Geothermal System with Local Thermal Non-equilibrium Model

    DOE PAGES

    Zhang, Le; Luo, Feng; Xu, Ruina; ...

    2014-12-31

    The heat transfer and fluid transport of supercritical CO2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity of volumetricmore » heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.« less

  18. Achieving Chemical Equilibrium: The Role of Imposed Conditions in the Ammonia Formation Reaction

    ERIC Educational Resources Information Center

    Tellinghuisen, Joel

    2006-01-01

    Under conditions of constant temperature T and pressure P, chemical equilibrium occurs in a closed system (fixed mass) when the Gibbs free energy G of the reaction mixture is minimized. However, when chemical reactions occur under other conditions, other thermodynamic functions are minimized or maximized. For processes at constant T and volume V,…

  19. The influence of thermal pressure on equilibrium models of hypermassive neutron star merger remnants

    SciTech Connect

    Kaplan, J. D.; Ott, C. D.; Roberts, L.; O'Connor, E. P.; Kiuchi, K.; Duez, M.

    2014-07-20

    The merger of two neutron stars leaves behind a rapidly spinning hypermassive object whose survival is believed to depend on the maximum mass supported by the nuclear equation of state (EOS), angular momentum redistribution by (magneto-)rotational instabilities, and spindown by gravitational waves. The high temperatures (∼5-40 MeV) prevailing in the merger remnant may provide thermal pressure support that could increase its maximum mass and, thus, its life on a neutrino-cooling timescale. We investigate the role of thermal pressure support in hypermassive merger remnants by computing sequences of spherically symmetric and axisymmetric uniformly and differentially rotating equilibrium solutions to the general-relativistic stellar structure equations. Using a set of finite-temperature nuclear EOS, we find that hot maximum-mass critically spinning configurations generally do not support larger baryonic masses than their cold counterparts. However, subcritically spinning configurations with mean density of less than a few times nuclear saturation density yield a significantly thermally enhanced mass. Even without decreasing the maximum mass, cooling and other forms of energy loss can drive the remnant to an unstable state. We infer secular instability by identifying approximate energy turning points in equilibrium sequences of constant baryonic mass parameterized by maximum density. Energy loss carries the remnant along the direction of decreasing gravitational mass and higher density until instability triggers collapse. Since configurations with more thermal pressure support are less compact and thus begin their evolution at a lower maximum density, they remain stable for longer periods after merger.

  20. Casimir-Polder potential in a dielectric medium out of thermal equilibrium

    SciTech Connect

    Rodriguez, Justo J.; Salam, A.

    2010-12-15

    The Casimir-Polder potential between a pair of atoms or molecules, either one of which may be excited, in a dielectric medium out of thermal equilibrium is obtained using a field operator that accounts for the attenuation or amplification of the radiation. Two contributions to the intermolecular potential are identified. One term is that induced by the excitations and relaxations that the interacting molecules experience due to the thermal bath, obtained using the resonance energy transfer rate and the Wigner-Weisskopf model. The second contribution arises as a consequence of the polarization induced in the interacting molecules by vacuum and thermal radiation. A number of disagreements between the present theory and several previously reported formulations examining this intermolecular potential are revealed.

  1. Conversion of pine sawdust bio-oil (raw and thermally processed) over equilibrium FCC catalysts.

    PubMed

    Bertero, Melisa; Sedran, Ulises

    2013-05-01

    A raw bio-oil from pine sawdust, the liquid product from its thermal conditioning and a synthetic bio-oil composed by eight model compounds representing the main chemical groups in bio-oils, were converted thermally and over a commercial equilibrium FCC catalyst. The experiments were performed in a fixed bed reactor at 500 °C. The highest hydrocarbon yield (53.5 wt.%) was obtained with the conditioned liquid. The coke yields were significant in all the cases, from 9 to 14 wt.%. The synthetic bio-oil produced lesser hydrocarbons and more oxygenated compounds and coke than the authentic feedstocks from biomass. The previous thermal treatment of the raw bio-oil had the positive effects of increasing 25% the yield of hydrocarbons, decreasing 55% the yield of oxygenated compounds and decreasing 20% the yield of coke, particularly the more condensed coke.

  2. Non-Equilibrium Dynamics of an Atomic Gas Coupled to a Synthetic Thermal Body

    NASA Astrophysics Data System (ADS)

    Price, Craig; Liu, Qi; Zhao, Jianshi; Gemelke, Nathan

    2016-05-01

    One takes for Granted that thermal equilibrium can be established between two bodies by bringing them into physical contact with one another - viewed externally however, any statistical reservoir must therefore interact in ways such that the exchange of conserved quantities satisfy basic constraints which define the equilibrium it and any attached bodies reach. We describe the experimental construction of a ``synthetic thermal body,'' engineered by controlling the spatio-temporal modulation of nominally conservative optical, radio-frequency, and microwave couplings of a 87 Rb neutral atomic gas carrying hyperfine-spin to a spin-dependent spatially and temporally disordered bath. We measure the out-of-equilibrium response through its resultant diffusive motion, extracting drift and diffusion parameters, and making comparison to the Einstein-Smoluchowski and generalized fluctuation-dissipation relations. We discuss new limits on temperature and density for direct cooling by suitably engineered baths, by simultaneously avoiding the constraints of photon-recoil and density-dependent losses from light-assisted collisional processes in traditional laser cooling, and discuss new avenues in quantum simulation by coupling atomic gasses to statistically-generated and open environments.

  3. Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption.

    PubMed

    De Los Rios, Paolo; Barducci, Alessandro

    2014-05-27

    70-kDa Heat shock proteins are ATP-driven molecular chaperones that perform a myriad of essential cellular tasks. Although structural and biochemical studies have shed some light on their functional mechanism, the fundamental issue of the role of energy consumption, due to ATP-hydrolysis, has remained unaddressed. Here we establish a clear connection between the non-equilibrium nature of Hsp70, due to ATP hydrolysis, and the determining feature of its function, namely its high affinity for its substrates. Energy consumption can indeed decrease the dissociation constant of the chaperone-substrate complex by several orders of magnitude with respect to an equilibrium scenario. We find that the biochemical requirements for observing such ultra-affinity coincide with the physiological conditions in the cell. Our results rationalize several experimental observations and pave the way for further analysis of non-equilibrium effects underlying chaperone functions.DOI: http://dx.doi.org/10.7554/eLife.02218.001.

  4. Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics

    NASA Astrophysics Data System (ADS)

    Gheribi, Aïmen E.; Salanne, Mathieu; Chartrand, Patrice

    2015-03-01

    The composition dependence of thermal transport properties of the (Na,K)Cl rocksalt solid solution is investigated through equilibrium molecular dynamics (EMD) simulations in the entire range of composition and the results are compared with experiments published in recent work [Gheribi et al., J. Chem. phys. 141, 104508 (2014)]. The thermal diffusivity of the (Na,K)Cl solid solution has been measured from 473 K to 823 K using the laser flash technique, and the thermal conductivity was deduced from critically assessed data of heat capacity and density. The thermal conductivity was also predicted at 900 K in the entire range of composition by a series of EMD simulations in both NPT and NVT statistical ensembles using the Green-Kubo theory. The aim of the present paper is to provide an objective analysis of the capability of EMD simulations in predicting the composition dependence of the thermal transport properties of halide solid solutions. According to the Klemens-Callaway [P. G. Klemens, Phys. Rev. 119, 507 (1960) and J. Callaway and H. C. von Bayer, Phys. Rev. 120, 1149 (1960)] theory, the thermal conductivity degradation of the solid solution is explained by mass and strain field fluctuations upon the phonon scattering cross section. A rigorous analysis of the consistency between the theoretical approach and the EMD simulations is discussed in detail.

  5. Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics

    SciTech Connect

    Gheribi, Aïmen E. Chartrand, Patrice; Salanne, Mathieu

    2015-03-28

    The composition dependence of thermal transport properties of the (Na,K)Cl rocksalt solid solution is investigated through equilibrium molecular dynamics (EMD) simulations in the entire range of composition and the results are compared with experiments published in recent work [Gheribi et al., J. Chem. phys. 141, 104508 (2014)]. The thermal diffusivity of the (Na,K)Cl solid solution has been measured from 473 K to 823 K using the laser flash technique, and the thermal conductivity was deduced from critically assessed data of heat capacity and density. The thermal conductivity was also predicted at 900 K in the entire range of composition by a series of EMD simulations in both NPT and NVT statistical ensembles using the Green-Kubo theory. The aim of the present paper is to provide an objective analysis of the capability of EMD simulations in predicting the composition dependence of the thermal transport properties of halide solid solutions. According to the Klemens-Callaway [P. G. Klemens, Phys. Rev. 119, 507 (1960) and J. Callaway and H. C. von Bayer, Phys. Rev. 120, 1149 (1960)] theory, the thermal conductivity degradation of the solid solution is explained by mass and strain field fluctuations upon the phonon scattering cross section. A rigorous analysis of the consistency between the theoretical approach and the EMD simulations is discussed in detail.

  6. Validity of Saha's equation of thermal ionization for negatively charged spherical particles in complex plasmas in thermal equilibrium

    SciTech Connect

    Sodha, M. S.; Mishra, S. K.

    2011-04-15

    The authors have discussed the validity of Saha's equation for the charging of negatively charged spherical particles in a complex plasma in thermal equilibrium, even when the tunneling of the electrons, through the potential energy barrier surrounding the particle is considered. It is seen that the validity requires the probability of tunneling of an electron through the potential energy barrier surrounding the particle to be independent of the direction (inside to outside and vice versa) or in other words the Born's approximation should be valid.

  7. Thermal equilibrium/disequilibrium features in the excited-state temperature of atomic helium in MAP-II divertor simulator

    NASA Astrophysics Data System (ADS)

    Kado, S.

    2015-08-01

    Doppler-Stark spectrometry and laser Thomson scattering diagnostics for helium plasmas were applied to the MAP-II (material and plasma) steady-state linear divertor simulator at the University of Tokyo. In recombining plasmas, as the volumetric recombination proceeded, atomic, ionic and electron temperatures converged to the same values, which indicated the achievement of thermal equilibrium. On the other hand, in ionizing plasmas, in addition to the collisional heating of bulk atoms, excess heating of atoms in the high principal quantum number states (above Griem's boundary) was observed. This disequilibrium feature can be attributed to the presence of two prevailing conditions: that the characteristic time of the charge-exchange process of the atoms with ions in the system became shorter than the lifetime of the excited atoms spent above Griem's boundary, and that the population influx from above Griem's boundary is considerably larger than that from below the boundary.

  8. Determination of thermal equilibrium in a sealed cell based on optical depth

    NASA Astrophysics Data System (ADS)

    Zou, Sheng; Zhang, Hong; Chen, Xi-yuan; Shan, Guang-cun; Quan, Wei

    2017-01-01

    An effective method based on optical depth (OD) is presented to measure thermal equilibrium in a cell. First, the principle of determining the temperature distribution in the cell by using the OD is demonstrated. Subsequently, relevant experiments are carried out. Original experimental results showed that some gradients of OD distributions in the cell at different wavelengths and variations of the OD increased slowly along the direction of motion of the beam at a fixed wavelength. At a wavelength of 766.6839 nm, which is about 7 GHz blue shifted with respect to the potassium resonance, the average value of the OD was about 0.764 and the maximal and the minimum inhomogeneity biases among all location points were about 6.07% and 0.56%, respectively. As for the corresponding wavelengths of 766.67785 nm and 766.73004 nm, some deviations from previous results, which were caused by different absorptions of the alkali-metal atoms at different frequencies of the laser beam, were observed. The nonuniform OD values along the direction of motion of the beam reflected an inhomogeneous distribution of the temperature in the cell, which may have been caused by layout of the oven. When the layout of the oven was modified, comparative experiments comparable to these with the previous layout of the oven demonstrated that the uniformity of the temperature distribution in the cell was improved and that thermal equilibrium time was shorter by about 10 minutes. This method played an important role in determining the thermal equilibrium time in the cell.

  9. Electromagnetic energy, absorption, and Casimir forces: Uniform dielectric media in thermal equilibrium

    NASA Astrophysics Data System (ADS)

    Rosa, F. S. S.; Dalvit, D. A. R.; Milonni, P. W.

    2010-03-01

    The derivation of Casimir forces between dielectrics can be simplified by ignoring absorption, calculating energy changes due to displacements of the dielectrics, and only then admitting absorption by allowing permittivities to be complex. As a first step toward a better understanding of this situation we consider in this article the model of a dielectric as a collection of oscillators, each of which is coupled to a reservoir giving rise to damping and Langevin forces on the oscillators and a noise polarization acting as a source of a fluctuating electromagnetic field in the dielectric. The model leads naturally to expressions for the quantized electric and magnetic fields that are consistent with those obtained in approaches that diagonalize the coupled system of oscillators for the dielectric medium, the reservoir, and the electromagnetic field. It also results in a fluctuation-dissipation relation between the noise polarization and the imaginary part of the permittivity; comparison with the Rytov fluctuation-dissipation relation employed in the well-known Lifshitz theory for the van der Waals (or Casimir) force shows that the Lifshitz theory is actually a classical stochastic electrodynamical theory. The approximate classical expression for the energy density in a band of frequencies at which absorption in a dielectric is negligible is shown to be exact as a spectral thermal equilibrium expectation value in quantum electrodynamic theory. Our main result is the derivation of an expression for the QED energy density of a uniform dispersive, absorbing media in thermal equilibrium. The spectral density of the energy is found to have the same form with or without absorption. We also show how the fluctuation-dissipation theorem ensures a detailed balance of energy exchange between the (absorbing) medium, the reservoir, and the electromagnetic field in thermal equilibrium.

  10. On the domain size effect of thermal conductivities from equilibrium and nonequilibrium molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Wang, Zuyuan; Ruan, Xiulin

    2017-01-01

    Equilibrium molecular dynamics (EMD) simulations with the Green-Kubo formula and nonequilibrium molecular dynamics (NEMD) simulations with the Fourier's Law are two widely used methods for calculating thermal conductivities of materials. It is well known that both methods suffer from domain size effects, especially for NEMD. But the underlying mechanisms and their comparison have not been much quantitatively studied before. In this paper, we investigate their domain size effects by using crystalline silicon at 1000 K, graphene at 300 K, and silicene at 300 K as model material systems. The thermal conductivity of silicon from EMD simulations increases normally with the increasing domain size and converges at a size of around 4 ×4 ×4 nm3 . The converging trend agrees well with the wavelength-accumulated thermal conductivity. The thermal conductivities of graphene and silicene from EMD simulations decrease abnormally with the increasing domain size and converge at a size of around 10 ×10 nm2 . We ascribe the anomalous size effect to the fact that as the domain size increases, the effect of more phonon scattering processes (particularly the flexural phonons) dominates over the effect of more phonon modes contributing to the thermal conductivity. The thermal conductivities of the three material systems from NEMD simulations all show normal domain size effects, although their dependences on the domain size differ. The converging trends agree with the mean free path accumulation of thermal conductivity. This study provides new insights that other than some exceptions, the domain size effects of EMD and NEMD are generally associated with wavelength and mean free path accumulations of thermal conductivity, respectively. Since phonon wavelength spans over a much narrower range than mean free path, EMD usually has less significant domain size effect than NEMD.

  11. Considerations on the thermal equilibrium between matter and the cosmic horizon

    NASA Astrophysics Data System (ADS)

    Mimoso, José Pedro; Pavón, Diego

    2016-11-01

    A common feature in the thermodynamic analysis of homogeneous and isotropic world models is the assumption that the temperature of the fluids inside the cosmic horizon (including dark energy) coincides with the temperature of the latter, whether it be either the event or the apparent horizon. We examine up to what extent this assumption may be justified, given that these temperatures evolve under different time-temperature laws. We argue that while radiation cannot reach thermal equilibrium with the horizon, nonrelativistic matter may, and dark energy might though only approximately.

  12. Isolated many-body quantum systems far from equilibrium: Relaxation process and thermalization

    SciTech Connect

    Torres-Herrera, E. J.; Santos, Lea F.

    2014-10-15

    We present an overview of our recent numerical and analytical results on the dynamics of isolated interacting quantum systems that are taken far from equilibrium by an abrupt perturbation. The studies are carried out on one-dimensional systems of spins-1/2, which are paradigmatic models of many-body quantum systems. Our results show the role of the interplay between the initial state and the post-perturbation Hamiltonian in the relaxation process, the size of the fluctuations after equilibration, and the viability of thermalization.

  13. Thermal transport in porous Si nanowires from approach-to-equilibrium molecular dynamics calculations

    NASA Astrophysics Data System (ADS)

    Cartoixà, Xavier; Dettori, Riccardo; Melis, Claudio; Colombo, Luciano; Rurali, Riccardo

    2016-07-01

    We study thermal transport in porous Si nanowires (SiNWs) by means of approach-to-equilibrium molecular dynamics simulations. We show that the presence of pores greatly reduces the thermal conductivity, κ, of the SiNWs as long mean free path phonons are suppressed. We address explicitly the dependence of κ on different features of the pore topology—such as the porosity and the pore diameter—and on the nanowire (NW) geometry—diameter and length. We use the results of the molecular dynamics calculations to tune an effective model, which is capable of capturing the dependence of κ on porosity and NW diameter. The model illustrates the failure of Matthiessen's rule to describe the coupling between boundary and pore scattering, which we account for by the inclusion of an additional empirical term.

  14. The effect of turbulent fluctuations on the relaxation of thermal non-equilibrium

    NASA Astrophysics Data System (ADS)

    Khurshid, Sualeh; Donzis, Diego

    2015-11-01

    In many engineering and natural systems, the microscopic behavior of constituent molecules can affect the macroscopic behavior of the flow. This interaction is significant when the two phenomena have commensurate time scales. We study the effect of turbulence on the relaxation of thermal non-equilibrium (TNE), in particular vibrational energy relaxation, using direct numerical simulation (DNS). First order effects are observed in the evolution of both vibrational energy and turbulence. For example, the rate of decay of kinetic energy is accelerated and temperature fluctuations are amplified. Analytic expressions for equilibrium vibrational energy, Ev*,and characteristic relaxation time scale, τv, are compared against DNS data and used to understand features of the decay. This decay can be divided into two regimes, one dominated by TNE exchanges in time scales of the order of τv followed by a turbulence decay. Between the two regimes, some vibrationally hot flows become cold before reaching equilibrium. This reflects an aspect of the strong coupling between turbulence and TNE in both regimes. Compressiblity effects, quantified by turbulent Mach number (Mt), are also discussed.

  15. Identifying student resources in reasoning about entropy and the approach to thermal equilibrium

    NASA Astrophysics Data System (ADS)

    Loverude, Michael

    2015-12-01

    [This paper is part of the Focused Collection on Upper Division Physics Courses.] As part of an ongoing project to examine student learning in upper-division courses in thermal and statistical physics, we have examined student reasoning about entropy and the second law of thermodynamics. We have examined reasoning in terms of heat transfer, entropy maximization, and statistical treatments of multiplicity and probability. In this paper, we describe student responses in interviews focused on the approach of macroscopic systems to thermal equilibrium. Our data suggest that students do not use a single simple model of entropy, but rather use a variety of conceptual resources. Individual students frequently shifted between resources, in some cases leading to contradictory predictions. Among the resources that students employed were some that have been previously described in the literature, including inappropriate use of conservation. However, our results suggest that student use of resources connected to disorder are neither simple nor monolithic. For example, many students used a previously unreported association between the equilibrium state of a system and an increase in order, rather than disorder.

  16. Non-Equilibrium Thermodynamic Analysis on the Performance of AN Irreversible Thermally Driven Brownian Motor

    NASA Astrophysics Data System (ADS)

    Gao, Tianfu; Chen, Jincan

    Based on the general model of thermally-driven Brownian motors, an equivalent cycle system is established and the Onsager coefficients and efficiency at the maximum power output of the system are analytically calculated from non-equilibrium thermodynamics. It is found that the Onsager reciprocity relation holds and the Onsager coefficients are affected by the main irreversibilities existing in practical systems. Only when the heat leak and the kinetic energy change of the particle in the system are negligible, can the determinant of the Onsager matrix vanish. It is also found that in the frame of non-equilibrium thermodynamics, the power output and efficiency of an irreversible Brownian motor can be expressed to be the same form as those of an irreversible Carnot heat engine, so the results obtained here are of general significance. Moreover, these results are used to analyze the performance characteristics of a class of thermally-driven Brownian motors so that some important conclusions in literature may be directly derived from the present paper.

  17. Equilibrium Ocean Thermal Expansion Depends Non-Linearly on the Forcing Level

    NASA Astrophysics Data System (ADS)

    Rugenstein, M.; Knutti, R.

    2015-12-01

    The ocean dominates the planetary heat budget and takes thousands of years to equilibrate to perturbedsurface conditions. We show two commonly held assumptions to be inaccurate: (a) A temperature perturbationin the atmosphere translates to a roughly uniform equilibrium ocean temperature anomaly.(b) Equilibrium global sea level rise due to thermal expansion is proportional to global surface warming.We analyze a vast range forcing levels and equilibration time scales of up to 10 000 years, for one model ofintermediate complexity and one state-of-the-art global climate model.The response time scales and regions of anomalous ocean heat storage depend non-linearly on the forcinglevel and equilibrium surface warming. The Atlantic Meridional Overturning Circulation is only proportionalto the forcing in its initial response, but not in its centennial to millennial recovery. In the SouthernOcean, water mass properties and surface air temperature response do not scale linearly with the forcinglevel. Interior and deep oceans warm very little compared to the surface layers for small perturbations, butdo so increasingly for higher forcing levels. The deep ocean temperature anomaly does not correspond toeither high or low latitude atmospheric surface temperature anomaly. Depending on where the excess heatis stored in the long term, the global sea level due to thermal expansion varies. We discuss the scalability ofequilibrium climate sensitivity between these simulations and their relation to different definitions of radiativeforcing.Two far reaching consequences are: (1) that one cannot deduce long term (centennial to millennial) fromshort term (decadal to centennial) behavior of ocean circulation and heat uptake. (2) The explanatory powerof deep sea proxies of past climate change to represent surface temperature perturbations, might be limiteddue to the uncertainty of the detailed forcing history.

  18. Achieving equilibrium within a culture of stability? Cultural knowing in nursing care on psychiatric intensive care units.

    PubMed

    Salzmann-Erikson, Martin; L Tz N, Kim; Ivarsson, Ann-Britt; Eriksson, Henrik

    2011-01-01

    This article presents intensive psychiatric nurses' work and nursing care. The aim of the study was to describe expressions of cultural knowing in nursing care in psychiatric intensive care units (PICU). Spradley's ethnographic methodology was applied. Six themes emerged as frames for nursing care in psychiatric intensive care: providing surveillance, soothing, being present, trading information, maintaining security and reducing. These themes are used to strike a balance between turbulence and stability and to achieve equilibrium. As the nursing care intervenes when turbulence emerges, the PICU becomes a sanctuary that offers tranquility, peace and rest.

  19. Simulating ionic thermal trasport by equilibrium ab-initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Marcolongo, Aris; Umari, Paolo; Baroni, Stefano

    2014-03-01

    The Green-Kubo approach to thermal transport is often considered to be incompatible with ab-initio molecular dynamics (AIMD) because a suitable quantum-mechanical definition of the heat current is not readily available, due to the ill-definedness of the microscopic energy density to which it is related by the continuity equation. We argue that a similar difficulty actually exists in classical mechanics as well, and we address the conditions that have to be fulfilled in order for the physically well defined transport coefficients to be independent of the ill defined microscopic energy density from which they derive. We then provide two alternative approaches to calculating thermal conductivites from equilibrium AIMD. The first is based on the Green-Kubo formula, supplemented with an expression for the energy current, which is a generalization of Thouless' expression for the adiabatic charge current. The second approach, which avoids the recourse to an energy current altogether, rests on an efficient and accurate extrapolation to infinite wavelengths of the energy-density time correlation functions. The two methods are compared on a simple classical test bed, and their implementation in AIMD is demonstrated with the calculation of the thermal conductivity of simple fluids.

  20. Understanding the connection between conformational changes of peptides and equilibrium thermal fluctuations.

    PubMed

    Soler, Miguel A; Zúñiga, José; Requena, Alberto; Bastida, Adolfo

    2017-02-01

    Despite the increasing evidence that conformational transitions in peptides and proteins are driven by specific vibrational energy pathways along the molecule, the current experimental techniques of analysis do as yet not allow to study these biophysical processes in terms of anisotropic energy flows. Computational methods offer a complementary approach to obtain a more detailed understanding of the vibrational and conformational dynamics of these systems. Accordingly, in this work we investigate jointly the vibrational energy distribution and the conformational dynamics of trialanine peptide in water solution at room temperature by applying the Instantaneous Normal Mode analysis to the results derived from equilibrium molecular dynamics simulations. It is shown that conformational changes in trialanine are triggered by the vibrational energy accumulated in the low-frequency modes of the molecule, and that excitation is caused exclusively by thermal fluctuations of the solute-solvent system, thus excluding the possibility of an intramolecular vibrational energy redistribution process.

  1. The Thermal Equilibrium Solution of a Generic Bipolar Quantum Hydrodynamic Model

    NASA Astrophysics Data System (ADS)

    Unterreiter, Andreas

    The thermal equilibrium state of a bipolar, isothermic quantum fluid confined to a bounded domain ,d = 1,2 or d = 3 is entirely described by the particle densities n, p, minimizing the energy where G1,2 are strictly convex real valued functions, . It is shown that this variational problem has a unique minimizer in and some regularity results are proven. The semi-classical limit is carried out recovering the minimizer of the limiting functional. The subsequent zero space charge limit leads to extensions of the classical boundary conditions. Due to the lack of regularity the asymptotics can not be settled on Sobolev embedding arguments. The limit is carried out by means of a compactness-by-convexity principle.

  2. Complex time dependent wave packet technique for thermal equilibrium systems - Electronic spectra

    NASA Technical Reports Server (NTRS)

    Reimers, J. R.; Wilson, K. R.; Heller, E. J.

    1983-01-01

    A time dependent wave packet method is presented for the rapid calculation of the properties of systems in thermal equilibrium and is applied, as an illustration, to electronic spectra. The thawed Gaussian approximation to quantum wave packet dynamics combined with evaluation of the density matrix operator by imaginary time propagation is shown to give exact electronic spectra for harmonic potentials and excellent results for both a Morse potential and for the band contours of the three transitions of the visible electronic absorption spectrum of the iodine molecule. The method, in principle, can be extended to many atoms (e.g., condensed phases) and to other properties (e.g., infrared and Raman spectra and thermodynamic variables).

  3. Thermal Non-equilibrium Revealed by Periodic Pulses of Random Amplitudes in Solar Coronal Loops

    NASA Astrophysics Data System (ADS)

    Auchère, F.; Froment, C.; Bocchialini, K.; Buchlin, E.; Solomon, J.

    2016-08-01

    We recently detected variations in extreme ultraviolet intensity in coronal loops repeating with periods of several hours. Models of loops including stratified and quasi-steady heating predict the development of a state of thermal non-equilibrium (TNE): cycles of evaporative upflows at the footpoints followed by falling condensations at the apex. Based on Fourier and wavelet analysis, we demonstrate that the observed periodic signals are indeed not signatures of vibrational modes. Instead, superimposed on the power law expected from the stochastic background emission, the power spectra of the time series exhibit the discrete harmonics and continua expected from periodic trains of pulses of random amplitudes. These characteristics reinforce our earlier interpretation of these pulsations as being aborted TNE cycles.

  4. Influence of boundary slip effect on thermal environment in thermo-chemical non-equilibrium flow

    NASA Astrophysics Data System (ADS)

    Miao, Wenbo; Zhang, Liang; Li, Junhong; Cheng, Xiaoli

    2014-12-01

    A kind of new hypersonic vehicle makes long-time flight in transitional flow regime where boundary slip effect caused by low gas density will have an important influence on the thermal environment around the vehicles. Numerical studies on the boundary slip effect as hypersonic vehicles fly in high Mach number has been carried out. The method for solving non-equilibrium flows considering slip boundary, surface catalysis and chemical reactions has been built up, and been validated by comparing the thermal environment results with STS-2 flight test data. The mechanism and rules of impact on surface heat flux by different boundary slip level (Knudsen number from 0.01 to 0.05) has been investigated in typical hypersonic flow conditions. The results show that the influence mechanisms of boundary slip effect are different on component diffusion heat flux and convective heat flux; slip boundary increases the near wall temperature which diminish the convective heat; whereas enhances the near wall gas diffusion heat because of the internal energy's growing. Component diffusion heat flux takes a smaller portion of the total heat flux, so the slip boundary reduces the total wall heat flux. As Knudsen number goes up, the degree of rarefaction increases, the influences of slip boundary on convective and component diffusion heat flux are both enhanced, total heat flux grows by a small margin, and boundary slip effect is more distinct.

  5. A numerical model of non-equilibrium thermal plasmas. I. Transport properties

    SciTech Connect

    Zhang XiaoNing; Xia WeiDong; Li HePing; Murphy, Anthony B.

    2013-03-15

    A self-consistent and complete numerical model for investigating the fundamental processes in a non-equilibrium thermal plasma system consists of the governing equations and the corresponding physical properties of the plasmas. In this paper, a new kinetic theory of the transport properties of two-temperature (2-T) plasmas, based on the solution of the Boltzmann equation using a modified Chapman-Enskog method, is presented. This work is motivated by the large discrepancies between the theories for the calculation of the transport properties of 2-T plasmas proposed by different authors in previous publications. In the present paper, the coupling between electrons and heavy species is taken into account, but reasonable simplifications are adopted, based on the physical fact that m{sub e}/m{sub h} Much-Less-Than 1, where m{sub e} and m{sub h} are, respectively, the masses of electrons and heavy species. A new set of formulas for the transport coefficients of 2-T plasmas is obtained. The new theory has important physical and practical advantages over previous approaches. In particular, the diffusion coefficients are complete and satisfy the mass conversation law due to the consideration of the coupling between electrons and heavy species. Moreover, this essential requirement is satisfied without increasing the complexity of the transport coefficient formulas. Expressions for the 2-T combined diffusion coefficients are obtained. The expressions for the transport coefficients can be reduced to the corresponding well-established expressions for plasmas in local thermodynamic equilibrium for the case in which the electron and heavy-species temperatures are equal.

  6. Equilibrium unfolding of A. niger RNase: pH dependence of chemical and thermal denaturation.

    PubMed

    Kumar, Gundampati Ravi; Sharma, Anurag; Kumari, Moni; Jagannadham, Medicherla V; Debnath, Mira

    2011-08-01

    Equilibrium unfolding of A. niger RNase with chemical denaturants, for example GuHCl and urea, and thermal unfolding have been studied as a function of pH using fluorescence, far-UV, near-UV, and absorbance spectroscopy. Because of their ability to affect electrostatic interactions, pH and chemical denaturants have a marked effect on the stability, structure, and function of many globular proteins. ANS binding studies have been conducted to enable understanding of the folding mechanism of the protein in the presence of the denaturants. Spectroscopic studies by absorbance, fluorescence, and circular dichroism and use of K2D software revealed that the enzyme has α + β type secondary structure with approximately 29% α-helix, 24% β-sheet, and 47% random coil. Under neutral conditions the enzyme is stable in urea whereas GuHCl-induced equilibrium unfolding was cooperative. A. niger RNase has little ANS binding even under neutral conditions. Multiple intermediates were populated during the pH-induced unfolding of A. niger RNase. Urea and temperature-induced unfolding of A. niger RNase into the molten globule-like state is non-cooperative, in contrast to the cooperativity seen with the native protein, suggesting the presence of two parts/domains, in the molecular structure of A. niger RNase, with different stability that unfolds in steps. Interestingly, the GuHCl-induced unfolding of the A state (molten globule state) of A. niger RNase is unique, because a low concentration of denaturant not only induces structural change but also facilitates transition from one molten globule like state (A(MG1)) into another (I(MG2)).

  7. Mechanical simulation of the pressure and the relaxation to thermal equilibrium of a hot and dense rare gas cluster.

    PubMed

    Gross, A; Levine, R D

    2006-11-30

    A cold atomic cluster can be very rapidly heated and compressed by a hypersonic impact at a hard surface. The impact can be simulated by computing a classical trajectory for the motion of the atoms. By suddenly confining the hot and dense cluster within a rigid container, it is possible to monitor the time evolution of the force acting on the faces of the container. It is found that the pressure computed this way very rapidly decays to a time-independent value. After a somewhat longer time, this value reproduces the value for the pressure computed as the sum of the kinetic and internal pressures. This agreement is expected for a system in equilibrium. These observations support the conclusion that there is a fast relaxation to thermal equilibrium in these essentially hard-sphere systems. The deviation from equilibrium is primarily due to the propagation of shock waves within the cluster. The equilibrium pressure can reach up to the megabar range.

  8. Temperature Dependent Change in Equilibrium Elastic Modulus After Thermally Induced Stress Relaxation in Porcine Septal Cartilage

    PubMed Central

    Protsenko, Dmitriy E.; Zemek, Allison; Wong, Brian J.F.

    2014-01-01

    Background and Objectives Laser cartilage reshaping (LCR) is a promising method for the in situ treatment of structural deformities in the nasal septum, external ear and trachea. Laser heating leads to changes in cartilage mechanical properties and produces relaxation of internal stress allowing formation of a new stable shape. While some animal and preliminary human studies have demonstrated clinical feasibility of LCR, application of the method outside specialized centers requires a better understanding of the evolution of cartilage mechanical properties with temperature. The purpose of this study was to (1) develop a method for reliable evaluation of mechanical changes in the porcine septal cartilage undergoing stress relaxation during laser heating and (2) model the mechanical changes in cartilage at steady state following laser heating. Study Design/Materials and Methods Rectangular cartilage specimens harvested from porcine septum were heated uniformly by a radio-frequency (RF) electric field (500 kHz) for 8 and 12 seconds to maximum temperatures from 50 to 90°C. Cylindrical samples were fashioned from the heated specimens and their equilibrium elastic modulus was measured in a step unconfined compression experiment. Functional dependencies of the elastic modulus and maximum temperature were interpolated from the measurements. Profiles of the elastic modulus produced after 8 and 12 seconds of laser irradiation (Nd:YAG, λ =1.34 μm, spot diameter 4.8 mm, laser power 8 W) were calculated from interpolation functions and surface temperature histories measured with a thermal camera. The calculated elastic modulus profiles were incorporated into a numerical model of uniaxial unconfined compression of laser irradiated cylindrical samples. The reaction force to a 0.1 compressive strain was calculated and compared with the reaction force obtained in analogous mechanical measurements experiment. Results RF heating of rectangular cartilage sample produces a spatially

  9. Long-period Intensity Pulsations in Coronal Loops Explained by Thermal Non-equilibrium Cycles

    NASA Astrophysics Data System (ADS)

    Froment, C.; Auchère, F.; Aulanier, G.; Mikić, Z.; Bocchialini, K.; Buchlin, E.; Solomon, J.

    2017-02-01

    In solar coronal loops, thermal non-equilibrium (TNE) is a phenomenon that can occur when the heating is both highly stratified and quasi-constant. Unambiguous observational identification of TNE would thus permit us to strongly constrain heating scenarios. While TNE is currently the standard interpretation of coronal rain, the long-term periodic evolution predicted by simulations has never been observed. However, the detection of long-period intensity pulsations (periods of several hours) has been recently reported with the Solar and Heliospheric Observatory/EIT, and this phenomenon appears to be very common in loops. Moreover, the three intensity-pulsation events that we recently studied with the Solar Dynamics Observatory/Atmospheric Imaging Assembly (AIA) show strong evidence for TNE in warm loops. In this paper, a realistic loop geometry from linear force-free field (LFFF) extrapolations is used as input to 1D hydrodynamic simulations. Our simulations show that, for the present loop geometry, the heating has to be asymmetrical to produce TNE. We analyze in detail one particular simulation that reproduces the average thermal behavior of one of the pulsating loop bundle observed with AIA. We compare the properties of this simulation with those deduced from the observations. The magnetic topology of the LFFF extrapolations points to the presence of sites of preferred reconnection at one footpoint, supporting the presence of asymmetric heating. In addition, we can reproduce the temporal large-scale intensity properties of the pulsating loops. This simulation further strengthens the interpretation of the observed pulsations as signatures of TNE. This consequently provides important information on the heating localization and timescale for these loops.

  10. Fluctuating hydrodynamics in periodic domains and heterogeneous adjacent multidomains: Thermal equilibrium

    NASA Astrophysics Data System (ADS)

    Bian, Xin; Li, Zhen; Deng, Mingge; Karniadakis, George Em

    2015-11-01

    truncated side of the SDPD simulation. In the EBC buffer, the velocity of particles is drawn from a known Gaussian distribution, that is, the Maxwell-Boltzmann distribution. Due to the finite range of spatial correlation, the density of particles in the EBC buffer must be drawn from a conditional Gaussian distribution, which takes into account the available density distribution of neighboring interior particles. We introduce a Kriging method to provide such a conditional distribution and hence preserve the spatial correlation of density. Spatial and temporal correlations of SDPD simulations in the truncated domain are compared to that in a single complete domain. We find that a gap region between the buffer and interior is important to reduce the extra dissipation generated by the artificial buffer at equilibrium, rendering more investigations necessary for thermal fluctuations in the multiscale coupling of nonequilibrium flows.

  11. The pressure-induced effects in the thermal equilibrium electron properties of semiconducting glasses

    NASA Astrophysics Data System (ADS)

    Klinger, M. I.; Taraskin, S. N.

    1997-05-01

    Strong pressure-induced effects in the thermal equilibrium properties of semiconducting glasses are revealed and theoretically analysed. The basic property under consideration is the concentration of the negative-U centres which determine the mobility-gap spectral structure and the related electron phenomena in the materials. For accessible high pressures, 0953-8984/9/21/009/img5, a rapid increase of the concentration with growing pressure is predicted. This holds for (`weak') negative-U centres formed in typical, `rigid', configurations for the vast majority of atoms, as both the mobility-gap width and the related effective magnitude of the negative pair-correlation energy decrease with pressure. However, at ambient (and low) pressure another type of centre, `strong' negative-U centres formed in glassy atomic soft configurations, predominate, whose concentration decreases with increasing pressure. The resulting concentration of negative-U centres and some related characteristics are shown to exhibit a non-monotonic pressure dependence with a minimum. Future experimental tests of the corresponding theoretical relationships might determine the basic parameters of the phenomenon for the materials under consideration.

  12. Thermal equilibrium properties of surface hopping with an implicit Langevin bath

    SciTech Connect

    Sherman, M. C.; Corcelli, S. A.

    2015-01-14

    The ability of fewest switches surface hopping (FSSH) approach, where the classical degrees of freedom are coupled to an implicit Langevin bath, to establish and maintain an appropriate thermal equilibrium was evaluated in the context of a three site model for electron transfer. The electron transfer model consisted of three coupled diabatic states that each depends harmonically on the collective bath coordinate. This results in three states with increasing energy in the adiabatic representation. The adiabatic populations and distributions of the collective solvent coordinate were monitored during the course of 250 ns FSSH-Langevin (FSSH-L) simulations performed at a broad range of temperatures and for three different nonadiabatic coupling strengths. The agreement between the FSSH-L simulations and numerically exact results for the adiabatic population ratios and solvent coordinate distributions was generally favorable. The FSSH-L method produces a correct Boltzmann distribution of the solvent coordinate on each of the adiabats, but the integrated populations are slightly incorrect because FSSH does not rigorously obey detailed balance. The overall agreement is better at high temperatures and for high nonadiabatic coupling, which agrees with a previously reported analytical and simulation analysis [J. R. Schmidt, P. V. Parandekar, and J. C. Tully, J. Chem. Phys. 129, 044104 (2008)] on a two-level system coupled to a classical bath.

  13. Non-Thermal Equilibrium Atmospheric Pressure Glow-Like Discharge Plasma Jet

    NASA Astrophysics Data System (ADS)

    Chang, Zhengshi; Yao, Congwei; Zhang, Guanjun

    2016-01-01

    Non-thermal equilibrium atmospheric pressure plasma jet (APPJ) is a cold plasma source that promises various innovative applications, and the uniform APPJ is more favored. Glow discharge is one of the most effective methods to obtain the uniform discharge. Compared with the glow dielectric barrier discharge (DBD) in atmospheric pressure, pure helium APPJ shows partial characteristics of both the glow discharge and the streamer. In this paper, considering the influence of the Penning effect, the electrical and optical properties of He APPJ and Ar/NH3 APPJ were researched. A word “Glow-like APPJ” is used to characterize the uniformity of APPJ, and it was obtained that the basic characteristics of the glow-like APPJ are driven by the kHz AC high voltage. The results can provide a support for generating uniform APPJ, and lay a foundation for its applications. supported by National Natural Science Foundation of China (Nos. 51307133, 51125029, 51221005) and the Fundamental Research Funds for the Central Universities of China (Nos. xjj2012132, xkjc2013004)

  14. The evolution of radiation toward thermal equilibrium: A soluble model that illustrates the foundations of statistical mechanics

    NASA Astrophysics Data System (ADS)

    Nauenberg, Michael

    2004-03-01

    In 1916 Einstein introduced the first rules for a quantum theory of electromagnetic radiation and applied them to a model of matter in thermal equilibrium with radiation to derive Planck's black-body formula. Einstein's treatment is extended here to time-dependent stochastic variables, which leads to a master equation for the probability distribution that describes the irreversible approach of his model to thermal equilibrium and elucidates aspects of the foundations of statistical mechanics. An analytic solution of the master equation is obtained in the Fokker-Planck approximation, which is in excellent agreement with numerical results. It is shown that the equilibrium probability distribution is proportional to the total number of microstates for a given configuration, in accordance with Boltzmann's fundamental postulate of equal a priori probabilities. Although the counting of these configurations depends on the particle statistics, the corresponding probability is determined here by the dynamics which are embodied in Einstein's quantum transition probabilities for the emission and absorption of radiation. In a special limit, it is shown that the photons in Einstein's model can act as a thermal bath for the evolution of the atoms toward the canonical equilibrium distribution. In this limit, the present model is mathematically equivalent to an extended version of the Ehrenfests's "dog-flea" model.

  15. Thermal equilibrium and prehydration processes of electrons injected into liquid water calculated by dynamic Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Kai, Takeshi; Yokoya, Akinari; Ukai, Masatoshi; Fujii, Kentaro; Watanabe, Ritsuko

    2015-10-01

    The thermalization length and spatial distribution of electrons in liquid water were simulated for initial electron energies ranging from 0.1 eV to 100 keV using a dynamic Monte Carlo code. The results showed that electrons were decelerated for thermalization over a longer time period than was previously predicted. This long thermalization time significantly contributed to the series of processes from initial ionization to hydration. We further studied the particular deceleration process of electrons at an incident energy of 1 eV, focusing on the temporal evolution of total track length, mean traveling distance, and energy distributions of decelerating electrons. The initial prehydration time and thermalization periods were estimated to be approximately 50 and 220 fs, respectively, indicating that the initial prehydration began before or contemporaneously with the thermal equilibrium. Based on these results, the prehydrated electrons were suggested to play an important role during multiple DNA damage induction.

  16. Analysis of thermally stimulated luminescence and conductivity without quasi-equilibrium approximation

    NASA Astrophysics Data System (ADS)

    Opanowicz, A.

    2007-08-01

    Thermally stimulated luminescence (TSL) and conductivity (TSC) are considered using the classical insulator model that assumes one kind of active trap, one kind of inactive deep trap and one kind of recombination centre. Kinetic equations describing the model are solved numerically without and with the use of quasi-equilibrium (QE) approximation. The QE state is characterized by the parameter qI = (dnc/dt)/Ie, where dnc/dt is the rate of change of free electron density, and Ie is the TSL intensity. The QE state parameter qI, the relative recombination probability γ = Ie/(Ie + It) (It is the trapping intensity) and a new parameter called a quasi-stationary (QS) state parameter q* = qIγ = (dnc/dt)/(Ie + It) are used for the analysis of the TSL and TSC. The QE and QS states are determined by conditions |qI| Lt 1 and, respectively, |q*| Lt 1. The TSL and TSC curves and the temperature dependences of qI, q*, γ the recombination lifetime and the occupancies of active traps and recombination centres are numerically calculated for five sets of kinetic parameters and different heating rates. These calculation results show that (1) the upper limit of the heating rate for the presence of the QS state appears at a higher heating rate than that for the QE state when the retrapping process is present, and (2) the TSL (TSC) curves in the QS state have properties similar to those for the TSL (TSC) curves in the QE state. Approximate formulae for calculation of the parameters qI and q* in the initial range of the TSL and TSC curves are derived and used in the heating-rate methods, proposed in this work, for determination of those parameters from the calculated TSL curves.

  17. Non-equilibrium simulations of thermally induced electric fields in water

    NASA Astrophysics Data System (ADS)

    Wirnsberger, P.; Fijan, D.; Šarić, A.; Neumann, M.; Dellago, C.; Frenkel, D.

    2016-06-01

    Using non-equilibrium molecular dynamics simulations, it has been recently demonstrated that water molecules align in response to an imposed temperature gradient, resulting in an effective electric field. Here, we investigate how thermally induced fields depend on the underlying treatment of long-ranged interactions. For the short-ranged Wolf method and Ewald summation, we find the peak strength of the field to range between 2 × 107 and 5 × 107 V/m for a temperature gradient of 5.2 K/Å. Our value for the Wolf method is therefore an order of magnitude lower than the literature value [J. A. Armstrong and F. Bresme, J. Chem. Phys. 139, 014504 (2013); J. Armstrong et al., J. Chem. Phys. 143, 036101 (2015)]. We show that this discrepancy can be traced back to the use of an incorrect kernel in the calculation of the electrostatic field. More seriously, we find that the Wolf method fails to predict correct molecular orientations, resulting in dipole densities with opposite sign to those computed using Ewald summation. By considering two different multipole expansions, we show that, for inhomogeneous polarisations, the quadrupole contribution can be significant and even outweigh the dipole contribution to the field. Finally, we propose a more accurate way of calculating the electrostatic potential and the field. In particular, we show that averaging the microscopic field analytically to obtain the macroscopic Maxwell field reduces the error bars by up to an order of magnitude. As a consequence, the simulation times required to reach a given statistical accuracy decrease by up to two orders of magnitude.

  18. Numerical Analysis on Thermal Non-Equilibrium Process of Laser-Supported Detonation Wave in Axisymmetric Nozzle

    SciTech Connect

    Shiraishi, Hiroyuki

    2008-04-28

    Numerical Analyses on Laser-Supported Plasma (LSP) have been performed for researching the mechanism of laser absorption occurring in the laser propulsion system. Above all, Laser-Supported Detonation (LSD), categorized as one type of LSP, is considered as one of the most important phenomena because it can generate high pressure and high temperature for performing highly effective propulsion. For simulating generation and propagation of LSD wave, I have performed thermal non-equilibrium analyses by Navier-stokes equations, using a CO{sub 2} gasdynamic laser into an inert gas, where the most important laser absorption mechanism for LSD propagation is Inverse Bremsstrahlung. As a numerical method, TVD scheme taken into account of real gas effects and thermal non-equilibrium effects by using a 2-temperature model, is applied. In this study, I analyze a LSD wave propagating through a conical nozzle, where an inner space of an actual laser propulsion system is simplified.

  19. Numerical Analysis on Thermal Non-Equilibrium Process of Laser-Supported Detonation Wave in Axisymmetric Nozzle

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki

    2008-04-01

    Numerical Analyses on Laser-Supported Plasma (LSP) have been performed for researching the mechanism of laser absorption occurring in the laser propulsion system. Above all, Laser-Supported Detonation (LSD), categorized as one type of LSP, is considered as one of the most important phenomena because it can generate high pressure and high temperature for performing highly effective propulsion. For simulating generation and propagation of LSD wave, I have performed thermal non-equilibrium analyses by Navier-stokes equations, using a CO2 gasdynamic laser into an inert gas, where the most important laser absorption mechanism for LSD propagation is Inverse Bremsstrahlung. As a numerical method, TVD scheme taken into account of real gas effects and thermal non-equilibrium effects by using a 2-temperature model, is applied. In this study, I analyze a LSD wave propagating through a conical nozzle, where an inner space of an actual laser propulsion system is simplified.

  20. HOW DOES A SYSTEM RESPOND WHEN DRIVEN AWAY FROM THERMAL EQUILIBRIUM?

    SciTech Connect

    C. JARZYNSKI

    2001-03-01

    It is widely appreciated that our understanding of non-equilibrium phenomena has not kept pace with its equilibrium counterpart. In recent years, however, consideration of the above question, posed at the microscopic level of statistical mechanics, has yielded some intriguing theoretical results distinguished by two common features. First, they remain valid far from equilibrium, that is, even if the system is disturbed violently from its initial equilibrium state. Second, they incorporate information about the history of the system over some span of time: effectively, these are statistical predictions about what we would see if we could watch a movie of the system filmed at the atomic level, rather than predictions about individual snapshots. To date, this work has been theoretical, though supplemented with numerical simulations. However, in the current issue of PNAS, Hummer and Szabo [1] show how to combine these theoretical advances with single molecule manipulation experiments, so as to extract useful equilibrium information from non-equilibrium laboratory data. What these authors propose amounts to a novel method of deducing the equilibrium mechanical properties of individual molecules.

  1. Heat Transfer and Fluid Transport of Supercritical CO2 in Enhanced Geothermal System with Local Thermal Non-equilibrium Model

    SciTech Connect

    Zhang, Le; Luo, Feng; Xu, Ruina; Jiang, Peixue; Liu, Huihai

    2014-12-31

    The heat transfer and fluid transport of supercritical CO2 in enhanced geothermal system (EGS) is studied numerically with local thermal non-equilibrium model, which accounts for the temperature difference between solid matrix and fluid components in porous media and uses two energy equations to describe heat transfer in the solid matrix and in the fluid, respectively. As compared with the previous results of our research group, the effect of local thermal non-equilibrium mainly depends on the volumetric heat transfer coefficient ah, which has a significant effect on the production temperature at reservoir outlet and thermal breakthrough time. The uniformity of volumetric heat transfer coefficient ah has little influence on the thermal breakthrough time, but the temperature difference become more obvious with time after thermal breakthrough with this simulation model. The thermal breakthrough time reduces and the effect of local thermal non-equilibrium becomes significant with decreasing ah.

  2. Validity of the local thermal equilibrium assumption in streambeds: implications for the use of heat as a tracer

    NASA Astrophysics Data System (ADS)

    Roshan, H.; Cuthbert, M. O.; Andersen, M. S.; Acworth, R. I.

    2013-12-01

    Analytical solutions of the heat transport equation have been extensively used to model heat exchange in streambeds and for inferring pore water flow velocities from streambed temperature data. One of the underlying assumptions to derive such analytical solutions is that of Local Thermal Equilibrium (LTE) between fluid and solids. By examining experimental and theoretical relationships of the fluid-solid heat transfer coefficient in a numerical scheme and deriving a correlation for the heat transfer coefficient at low Re numbers using available experimental data, we show that LTE is not attained for Re numbers below 0.01. From the results of this study, it was observed that the processes of heat advection and heat transfer (between solid grains and fluid) act against each other: while increased advective heat transport tends to cause disequilibrium, heat transfer between the phases tends to move the system towards equilibrium. At higher velocities (Re > 0.01), more effective heat transfer between the phases outweighs the effect of the advective heat transport and equilibrium is therefore reached almost instantaneously. As Re decreases (decrease in velocity) the heat transfer coefficient reduces leading to larger disequilibrium between phases. In addition the analysis emphasizes that as the ratio of solid to fluid thermal conductivity increases (Ks/Kf > 1) the temperature difference between water and solid phases also increases. As a result of thermal disequilibrium (i.e. temperature differences between solid and fluid phases), significant errors are induced in velocity estimates when inverting streambed temperature data assuming LTE especially at relatively lower Re values. Therefore assuming LTE may undermine conceptual understandings of streambed thermal processes relevant to stream ecology and biogeochemistry.

  3. Influence of time to achieve substrate distribution equilibrium between brain tissue and blood on quantitation of the blood-brain barrier P-glycoprotein effect.

    PubMed

    Padowski, Jeannie M; Pollack, Gary M

    2011-12-02

    Active efflux transport processes at the blood-brain barrier (BBB), such as P-glycoprotein (P-gp)-mediated efflux, can limit brain uptake of therapeutics. Accurate determination of the consequent impact on brain uptake is assumed to require sampling post-attainment of brain-to-blood distribution equilibrium. Because this approach is not always feasible, understanding the relationship between apparent degree of efflux (e.g., calculated BBB P-gp effect) and the fraction of time remaining until distribution equilibrium is achieved (FTDE) would be advantageous. This study employed simulation strategies to explore this relationship in the simplest relevant system (absence of protein binding, saturable uptake, or metabolism at the BBB). Concentration-time profiles were simulated with a 4-compartment system (blood, peripheral tissues, BBB endothelium and brain parenchyma). A unidirectional endothelium-to-blood rate constant, PS(e), represented P-gp-mediated efflux. A parameter space was selected to simulate an 18-fold P-gp effect, (K(p,brain) at distribution equilibrium in the absence [K(p,brain)=82] vs. presence [K(p,brain)=4.5] of P-gp-mediated flux), as observed for paclitaxel in P-gp-deficient vs. P-gp-competent mice. Hypothetical compounds with different P-gp effects, peripheral compartment distribution kinetics, or times to achieve distribution equilibrium were simulated by perturbing the values of relevant model parameters. P-gp effects calculated prior to attainment of distribution equilibrium may be substantially erroneous. However, reasonably accurate estimates can be obtained relatively early in the net distributional phase (under 20% error at FTDE>0.36 or 0.11 for bolus or infusion administration, respectively). Potential errors associated with non-equilibrium calculations are dependent on both P-gp-mediated and P-gp-independent components of flux across the BBB.

  4. Moving systems of polar dimeric capsules out of thermal equilibrium by light irradiation.

    PubMed

    Díaz-Moscoso, Alejandro; Arroyave, Frank A; Ballester, Pablo

    2016-02-18

    Heterodimeric capsules self-assembled from tetraurea calix[4]pyrrole and tetraurea calix[4]arene provide unique molecular containers for the organised inclusion of small polar molecules. By inserting stimuli-responsive groups (azobenzene) in the heterocapsule structure, we are able to modify the equilibrium state of the system or the exchange between different host-guest assemblies in a reversible manner.

  5. Double simple-harmonic-oscillator formulation of the thermal equilibrium of a fluid interacting with a coherent source of phonons

    NASA Technical Reports Server (NTRS)

    Defacio, B.; Vannevel, Alan; Brander, O.

    1993-01-01

    A formulation is given for a collection of phonons (sound) in a fluid at a non-zero temperature which uses the simple harmonic oscillator twice; one to give a stochastic thermal 'noise' process and the other which generates a coherent Glauber state of phonons. Simple thermodynamic observables are calculated and the acoustic two point function, 'contrast' is presented. The role of 'coherence' in an equilibrium system is clarified by these results and the simple harmonic oscillator is a key structure in both the formulation and the calculations.

  6. Thermal Behavior of Cd During Sludge Incineration: Experiments and Thermodynamic Equilibrium Model.

    PubMed

    Liu, Jingyong; Zhuo, Zhongxu; Sun, Shuiyu; Xie, Wuming; Lu, Shaoyou; Sun, Jian; Kuo, Jiahong; Yujie, Wang

    2016-12-01

      Experiments and thermodynamic equilibrium calculations were performed to investigate the behavior of Cd during sewage sludge incineration. The chemical equilibrium calculations indicated that chlorine significantly increased the volatilization of Cd in the form of CdCl2. In addition, SiO2-containing materials can function as sorbents for stabilizing Cd. The effect of PVC added to the sludge on the migration of Cd in the sludge was greater than that of NaCl. As the temperature increased, both organic and inorganic chlorides reduced the Cd distribution in the bottom ash. The chloride concentration, and the incineration time exhibited insignificant changes in Cd emission. With the addition of either NaCl or PVC into the sludge, the phases of Cd present in the bottom slag were primarily present in the form of silica-alumina oxides or multi-metal oxide, which could inhabit the Cd volatilization.

  7. Some properties of correlations of quantum lattice systems in thermal equilibrium

    SciTech Connect

    Fröhlich, Jürg; Ueltschi, Daniel

    2015-05-15

    Simple proofs of uniqueness of the thermodynamic limit of KMS states and of the decay of equilibrium correlations are presented for a large class of quantum lattice systems at high temperatures. New quantum correlation inequalities for general Heisenberg models are described. Finally, a simplified derivation of a general result on power-law decay of correlations in 2D quantum lattice systems with continuous symmetries is given, extending results of McBryan and Spencer for the 2D classical XY model.

  8. Quantum quenches in disordered systems: approach to thermal equilibrium without a typical relaxation time.

    PubMed

    Khatami, Ehsan; Rigol, Marcos; Relaño, Armando; García-García, Antonio M

    2012-05-01

    We study spectral properties and the dynamics after a quench of one-dimensional spinless fermions with short-range interactions and long-range random hopping. We show that a sufficiently fast decay of the hopping term promotes localization effects at finite temperature, which prevents thermalization even if the classical motion is chaotic. For slower decays, we find that thermalization does occur. However, within this model, the latter regime falls in an unexpected universality class, namely, observables exhibit a power-law (as opposed to an exponential) approach to their thermal expectation values.

  9. A method to predict the equilibrium solubility of drugs in solid polymers near room temperature using thermal analysis.

    PubMed

    Bellantone, Robert A; Patel, Piyush; Sandhu, Harpreet; Choi, Duk Soon; Singhal, Dharmendra; Chokshi, H; Malick, A Waseem; Shah, Navnit

    2012-12-01

    A method is presented for determining the equilibrium solubility of a drug in a solid polymer at or near room temperature, which represents a typical storage temperature. The method is based on a thermodynamic model to calculate the Gibbs energy change ΔG(SS) associated with forming a binary drug-polymer solid solution from the unmixed polymer and solid drug. The model includes contributions from heat capacity differences between the solid solution and the corresponding unmixed components, breaking up of the solid drug structure, and drug-polymer mixing. Calculation of ΔG(SS) from thermal analysis data is demonstrated, and it is shown that minima of plots of ΔG(SS) versus the dissolved drug concentration represent the equilibrium drug solubility in the polymer. Solid solutions were produced for drug-polymer systems (griseofulvin, indomethacin, itraconazole; PVP K30, Eudragit L100, Eudragit E100) in drug weight fractions up to ∼25%. At 25°C, it was seen that heat capacity effects were important in determining the drug solubility. It was concluded that drug solubilities in solid polymers can be determined using thermal analysis, and must include heat capacity effects when evaluated near room temperature.

  10. Computational studies of thermal and quantum phase transitions approached through non-equilibrium quenching

    NASA Astrophysics Data System (ADS)

    Liu, Cheng-Wei

    Phase transitions and their associated critical phenomena are of fundamental importance and play a crucial role in the development of statistical physics for both classical and quantum systems. Phase transitions embody diverse aspects of physics and also have numerous applications outside physics, e.g., in chemistry, biology, and combinatorial optimization problems in computer science. Many problems can be reduced to a system consisting of a large number of interacting agents, which under some circumstances (e.g., changes of external parameters) exhibit collective behavior; this type of scenario also underlies phase transitions. The theoretical understanding of equilibrium phase transitions was put on a solid footing with the establishment of the renormalization group. In contrast, non-equilibrium phase transition are relatively less understood and currently a very active research topic. One important milestone here is the Kibble-Zurek (KZ) mechanism, which provides a useful framework for describing a system with a transition point approached through a non-equilibrium quench process. I developed two efficient Monte Carlo techniques for studying phase transitions, one is for classical phase transition and the other is for quantum phase transitions, both are under the framework of KZ scaling. For classical phase transition, I develop a non-equilibrium quench (NEQ) simulation that can completely avoid the critical slowing down problem. For quantum phase transitions, I develop a new algorithm, named quasi-adiabatic quantum Monte Carlo (QAQMC) algorithm for studying quantum quenches. I demonstrate the utility of QAQMC quantum Ising model and obtain high-precision results at the transition point, in particular showing generalized dynamic scaling in the quantum system. To further extend the methods, I study more complex systems such as spin-glasses and random graphs. The techniques allow us to investigate the problems efficiently. From the classical perspective, using the

  11. Identifying Student Resources in Reasoning about Entropy and the Approach to Thermal Equilibrium

    ERIC Educational Resources Information Center

    Loverude, Michael

    2015-01-01

    As part of an ongoing project to examine student learning in upper-division courses in thermal and statistical physics, we have examined student reasoning about entropy and the second law of thermodynamics. We have examined reasoning in terms of heat transfer, entropy maximization, and statistical treatments of multiplicity and probability. In…

  12. Thermal Equilibrium Between Radiation and Matter: A Lead to the Maxwell-Boltzmann and Planck Distributions

    NASA Technical Reports Server (NTRS)

    Lanyi, Gabor E.

    2003-01-01

    This viewgraph presentation reviews the 1901 work in Planck's constant and blackbody radiation law and the 1916 Einstein rederivation of the blackbody radiation law. It also reviews Wien's law. It also presents equations that demonstrate the thermal balance between radiation and matter.

  13. Microscopic Simulation and Macroscopic Modeling for Thermal and Chemical Non-Equilibrium

    NASA Technical Reports Server (NTRS)

    Liu, Yen; Panesi, Marco; Vinokur, Marcel; Clarke, Peter

    2013-01-01

    This paper deals with the accurate microscopic simulation and macroscopic modeling of extreme non-equilibrium phenomena, such as encountered during hypersonic entry into a planetary atmosphere. The state-to-state microscopic equations involving internal excitation, de-excitation, dissociation, and recombination of nitrogen molecules due to collisions with nitrogen atoms are solved time-accurately. Strategies to increase the numerical efficiency are discussed. The problem is then modeled using a few macroscopic variables. The model is based on reconstructions of the state distribution function using the maximum entropy principle. The internal energy space is subdivided into multiple groups in order to better describe the non-equilibrium gases. The method of weighted residuals is applied to the microscopic equations to obtain macroscopic moment equations and rate coefficients. The modeling is completely physics-based, and its accuracy depends only on the assumed expression of the state distribution function and the number of groups used. The model makes no assumption at the microscopic level, and all possible collisional and radiative processes are allowed. The model is applicable to both atoms and molecules and their ions. Several limiting cases are presented to show that the model recovers the classical twotemperature models if all states are in one group and the model reduces to the microscopic equations if each group contains only one state. Numerical examples and model validations are carried out for both the uniform and linear distributions. Results show that the original over nine thousand microscopic equations can be reduced to 2 macroscopic equations using 1 to 5 groups with excellent agreement. The computer time is decreased from 18 hours to less than 1 second.

  14. Effect of equilibrium moisture content on barrier, mechanical and thermal properties of chitosan films.

    PubMed

    Aguirre-Loredo, Rocío Yaneli; Rodríguez-Hernández, Adriana Inés; Morales-Sánchez, Eduardo; Gómez-Aldapa, Carlos Alberto; Velazquez, Gonzalo

    2016-04-01

    Water molecules modify the properties of biodegradable films obtained from hydrophilic materials. Most studies dealing with thermal, mechanical and barrier properties of hydrophilic films are carried out under one relative humidity (RH) condition. The objective of this work was to evaluate the effect of the moisture content on the thermal, mechanical and barrier properties of chitosan films under several RH conditions. Microclimates, obtained with saturated salt solutions were used for conditioning samples and the properties of the films were evaluated under each RH condition. Chitosan films absorbed up to 40% of moisture at the higher RH studied. The percentage of elongation and the water vapour permeability increased while tensile strength, Young's modulus and glass transition temperature decreased, when the moisture content increased. The results suggest that the water molecules plasticized the polymer matrix, changing the properties when the films were in contact with high RH environments.

  15. Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Sääskilahti, K.; Oksanen, J.; Tulkki, J.; McGaughey, A. J. H.; Volz, S.

    2016-12-01

    The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous silicon are predicted from the length dependence of the spectrally decomposed heat current (SDHC) obtained from non-equilibrium molecular dynamics simulations. The results suggest a (frequency)- 2 scaling of the room-temperature MFPs below 5 THz. The MFPs exhibit a local maximum at a frequency of 8 THz and fall below 1 nm at frequencies greater than 10 THz, indicating localized vibrations. The MFPs extracted from sub-10 nm system-size simulations are used to predict the length-dependence of thermal conductivity up to system sizes of 100 nm and good agreement is found with independent molecular dynamics simulations. Weighting the SDHC by the frequency-dependent quantum occupation function provides a simple and convenient method to account for quantum statistics and provides reasonable agreement with the experimentally-measured trend and magnitude.

  16. Achievement of thermal stability by varying metabolic heat production in flying honeybees.

    PubMed

    Harrison, J F; Fewell, J H; Roberts, S P; Hall, H G

    1996-10-04

    Thermoregulation of the thorax allows endothermic insects to achieve power outputs during flight that are among the highest in the animal kingdom. Flying endothermic insects, including the honeybee Apis mellifera, are believed to thermoregulate almost exclusively by varying heat loss. Here it is shown that a rise in air temperature from 20 degrees to 40 degrees C causes large decreases in metabolic heat production and wing-beat frequency in honeybees during hovering, agitated, or loaded flight. Thus, variation in heat production may be the primary mechanism for achieving thermal stability in flying honeybees, and this mechanism may occur commonly in endothermic insects.

  17. Achievement of a low-outgassing white paint system for spacecraft thermal control

    NASA Technical Reports Server (NTRS)

    Seidenberg, B.; Park, J. J.; Clatterbuck, C.

    1972-01-01

    Test results and data for achieving a low-outgassing polymer resin suitable for potting or a paint pigment are presented. The resin, prepared in 0.5-kg (1-lb) batches, is acceptable for spacecraft use; its weight loss is less than 0.5 percent, and the volatile condensable materials are less than 0.05 percent. The paint adheres to a primed fiber glass or aluminum substrate. Results of UV irradiation, electron and proton radiation, and thermal cycling are presented.

  18. Development of a continuum/rarefied hybrid scheme for flows with thermal and chemical non-equilibrium

    NASA Astrophysics Data System (ADS)

    Michaelis, Christopher Harold

    2001-07-01

    The motion of a gas may be studied from the microscopic or macroscopic point of view. At the microscopic level, molecules are constantly moving and colliding, and occasionally reacting to form new species. The accepted model for describing gases at the microscopic level is the Boltzmann equation. In contrast, macroscopic models rely on the conservation laws, combined with constitutive relations, which approximate the molecular relaxation in a gas. The resulting set of equations, called the Navier- Stokes equations, represent an approximation to the Boltzmann equation for small non-equilibrium. For flows that are sufficiently rarefied, the Navier- Stokes equations no longer represent an accurate approximation of the Boltzmann equation. Numerical solutions of the Boltzmann equation may be obtained through the direct simulation of molecular motion. Such approaches are termed Monte Carlo, or particle methods. In principle, particle methods can be used to simulate all flows, regardless of the degree of non-equilibrium. There are many instances where neither approach is ideal. One such example is the reentry of a blunt body through the atmosphere. Ahead of the body, there is a very strong shock wave that cannot be adequately modeled by the Navier-Stokes equations, due to the degree of non- equilibrium. At the surface of the blunt body, the temperature is substantially colder than the surrounding flow, resulting in a large increase in the density next to the surface. In this region, where the flow is near- continuum, particle methods are not computationally efficient. A numerical method that utilizes the Navier-Stokes equations in regions of near-continuum flow and a particle method everywhere else is ideal. In this study, a hybrid scheme, for the efficient numerical simulation of flows with thermal and chemical non-equilibrium, is successfully demonstrated. The hybrid method was applied to extreme, high Mach number flows, where vibrational and chemical relaxation are

  19. Non-Equilibrium Iron Clusters Coagulation and Thermal Decomposition at High Temperatures

    NASA Astrophysics Data System (ADS)

    Starikovskii, A. Yu.; Zaslonko, I. S.

    The fast thermal decomposition of Fe(CO)5 (1000-8000 ppm) behind reflected shock waves was used as source of iron atoms. The growth and decomposition of iron clusters was observed using light absorption technique at λ = 632.8 nm. The iron cluster formation was studied behind incident shock waves (T = 1200 — 2000 K, p = 5 — 50 bar) and cluster decomposition behind reflected shock waves (T = 2600 — 3000 K, p = 10 — 100 bar). The temperature and pressure dependencies of observable rate constants for iron cluster growth and thermal decomposition has been obtained. The experimental data were treated using master equation solution for the cluster size distribution function. The light absorption in the system is shown to depend on the total atoms amount in the clusters with n* < n < n **, were n* ~ 3 — 5, n** ~ 104. When coagulation time is rather small that the concentration of clusters with n > n** is negligible and concentration of small clusters (n < n*) permanently decreases, light absorption increase. After that number of atoms enclosed into the clusters with n* < n < n** became decreasing and the total light-absorption cross section decreases. So, observations of the absorption gives us an important information about streams through the particle size axes, and observable rate constant kobs = dln(D)/dt is a good parameter for the description of the kinetic behavior at the broad variations of temperature and pressure for an iron cluster ensemble.

  20. Modeling the hot-dense plasma of the solar interior in and out of thermal equilibrium

    NASA Astrophysics Data System (ADS)

    Lin, Hsiao-Hsuan

    within any solar model code. In the present work we have carried the technique of the MHD-based OPAL emulator to the CEFF-based OPAL emulator and successfully accomplished this goal. At the same time, we went beyond the earlier work by adding more terms. In particular, the previous MHD-based OPAL emulator was restricted to the approximation of a hydrogen plasma; our work is extended to the more realistic H-He mixture. In a separate part of the present work, we have examined a non-equilibrium effect in the solar interior. The effect is located in the zone of the sharp transition between the differential rotation in the convection zone and the solid-sphere rotation in the radiation zone beneath it. This transition was discovered by helioseismology in the 1980s, and the transition zone is called the solar tachocline. The tachocline is subject to strong shear and in many theories of the solar dynamo it plays important role. Being inspired by the well-known Soret effect, which states the mass diffusion drive by a temperature gradient, we have examined if there could also be mass diffusion by a shear flow. If such an effect were to exist, it would have potential applications to the solar tachocline and dynamo. We have run a so-called reverse non-equilibrium molecular dynamics (RNEMD) simulation. As a test, we first confirmed the Soret effect by the simulation, then we tested for a shear- driven analogous effect. As a result, we did not see the shear-driven Soret effect in our simulation. We do observe the normal Soret effect due to the temperature gradient caused by the numerical scheme we used.

  1. Reverse Non-Equilibrium Molecular Dynamics Demonstrate That Surface Passivation Controls Thermal Transport at Semiconductor-Solvent Interfaces.

    PubMed

    Hannah, Daniel C; Gezelter, J Daniel; Schaller, Richard D; Schatz, George C

    2015-06-23

    We examine the role played by surface structure and passivation in thermal transport at semiconductor/organic interfaces. Such interfaces dominate thermal transport in semiconductor nanomaterials owing to material dimensions much smaller than the bulk phonon mean free path. Utilizing reverse nonequilibrium molecular dynamics simulations, we calculate the interfacial thermal conductance (G) between a hexane solvent and chemically passivated wurtzite CdSe surfaces. In particular, we examine the dependence of G on the CdSe slab thickness, the particular exposed crystal facet, and the extent of surface passivation. Our results indicate a nonmonotonic dependence of G on ligand-grafting density, with interfaces generally exhibiting higher thermal conductance for increasing surface coverage up to ∼0.08 ligands/Å(2) (75-100% of a monolayer, depending on the particular exposed facet) and decreasing for still higher coverages. By analyzing orientational ordering and solvent penetration into the ligand layer, we show that a balance of competing effects is responsible for this nonmonotonic dependence. Although the various unpassivated CdSe surfaces exhibit similar G values, the crystal structure of an exposed facet nevertheless plays an important role in determining the interfacial thermal conductance of passivated surfaces, as the density of binding sites on a surface determines the ligand-grafting densities that may ultimately be achieved. We demonstrate that surface passivation can increase G relative to a bare surface by roughly 1 order of magnitude and that, for a given extent of passivation, thermal conductance can vary by up to a factor of ∼2 between different surfaces, suggesting that appropriately tailored nanostructures may direct heat flow in an anisotropic fashion for interface-limited thermal transport.

  2. A numerical study of EGS heat extraction process based on a thermal non-equilibrium model for heat transfer in subsurface porous heat reservoir

    NASA Astrophysics Data System (ADS)

    Chen, Jiliang; Jiang, Fangming

    2016-02-01

    With a previously developed numerical model, we perform a detailed study of the heat extraction process in enhanced or engineered geothermal system (EGS). This model takes the EGS subsurface heat reservoir as an equivalent porous medium while it considers local thermal non-equilibrium between the rock matrix and the fluid flowing in the fractured rock mass. The application of local thermal non-equilibrium model highlights the temperature-difference heat exchange process occurring in EGS reservoirs, enabling a better understanding of the involved heat extraction process. The simulation results unravel the mechanism of preferential flow or short-circuit flow forming in homogeneously fractured reservoirs of different permeability values. EGS performance, e.g. production temperature and lifetime, is found to be tightly related to the flow pattern in the reservoir. Thermal compensation from rocks surrounding the reservoir contributes little heat to the heat transmission fluid if the operation time of an EGS is shorter than 15 years. We find as well the local thermal equilibrium model generally overestimates EGS performance and for an EGS with better heat exchange conditions in the heat reservoir, the heat extraction process acts more like the local thermal equilibrium process.

  3. Out of equilibrium thermal field theories: Finite time after switching on the interaction and Wigner transforms of projected functions

    NASA Astrophysics Data System (ADS)

    Dadić, I.

    2001-01-01

    We study out of equilibrium thermal field theories with switching on the interaction occurring at finite time using the Wigner transforms of two-point functions. For two-point functions we define the concept of a projected function: it is zero if any of the times refers to the time before switching on the interaction; otherwise it depends only on the relative coordinates. This definition includes bare propagators, one-loop self-energies, etc. For the infinite-average-time limit of the Wigner transforms of projected functions we define the analyticity assumptions: (1) The function of energy is analytic above (below) the real axis. (2) The function goes to zero as the absolute value of energy approaches infinity in the upper (lower) semiplane. Without use of the gradient expansion, we obtain the convolution product of projected functions. We sum the Schwinger-Dyson series in closed form. In the calculation of the Keldysh component (both resummed and single self-energy insertion approximation) contributions appear which are not the Fourier transforms of projected functions, signaling the limitations of the method. In the Feynman diagrams there is no explicit energy conservation at vertices; there is an overall energy-smearing factor taking care of the uncertainty relations. The relation between the theories with the Keldysh time path and with the finite time path enables one to rederive the results, such as the cancellation of pinching, collinear, and infrared singularities, hard thermal loop resummation, etc.

  4. Methods for achieving the equilibrium number of phases in mixtures suitable for use in battery electrodes, e.g., for lithiating FeS.sub.2

    DOEpatents

    Guidotti, Ronald A.

    1988-01-01

    In a method for preparing lithiated, particulate FeS.sub.2 useful as a catholyte material in a lithium thermal battery, whereby the latter's voltage regulation properties are improved, comprising admixing FeS.sub.2 and an amount of a lithium-containing compound whereby the resultant total composition falls in an invariant region of the metallurgical phase diagram of its constituent components, an improvement comprises admixing said lithium-containing compound and FeS.sub.2 together with a solid electrolyte compatible with said catholyte, and heating the mixture at a temperature above the melting point of said electrolyte and at which said mixture reaches its thermodynamic equilibrium number of phases.

  5. Improved methods for achieving the equilibrium number of phases in mixtures suitable for use in battery electrodes e. g. , for lithiating FeS/sub 2/

    DOEpatents

    Guidotti, R.A.

    1986-06-10

    A method is disclosed for preparing lithiated, particulate FeS/sub 2/ useful as a catholyte material in a lithium thermal battery, whereby the latter's voltage regulation properties are improved. The method comprises admixing FeS/sub 2/ and an amount of a lithium-containing compound, whereby the resultant total composition falls in an invariant region of the metallurgical phase diagram of its constituent components. Said lithium-containing compound and FeS/sub 2/ are admixed together with a solid electrolyte compatible with said catholyte, and the mixture is heated at a temperature above the melting point of said electrolyte and at which said mixture reaches its thermodynamic equilibrium number of phases.

  6. Could a plasma in quasi-thermal equilibrium be associated to the "orphan" TeV flares?

    NASA Astrophysics Data System (ADS)

    Fraija, N.

    2015-12-01

    TeV γ-ray detections in flaring states without activity in X-rays from blazars have attracted much attention due to the irregularity of these "orphan" flares. Although the synchrotron self-Compton model has been very successful in explaining the spectral energy distribution and spectral variability of these sources, it has not been able to describe these atypical flaring events. On the other hand, an electron-positron pair plasma at the base of the AGN jet was proposed as the mechanism of bulk acceleration of relativistic outflows. This plasma in quasi-thermal equilibrium called Wein fireball emits radiation at MeV-peak energies serving as target of accelerated protons. In this work we describe the "orphan" TeV flares presented in blazars 1ES 1959+650 and Mrk 421 assuming geometrical considerations in the jet and evoking the interactions of Fermi-accelerated protons and MeV-peak target photons coming from the Wein fireball. After describing successfully these "orphan" TeV flares, we correlate the TeV γ-ray, neutrino and UHECR fluxes through pγ interactions and calculate the number of high-energy neutrinos and UHECRs expected in IceCube/AMANDA and TA experiment, respectively. In addition, thermal MeV neutrinos produced mainly through electron-positron annihilation at the Wein fireball will be able to propagate through it. By considering two- (solar, atmospheric and accelerator parameters) and three-neutrino mixing, we study the resonant oscillations and estimate the neutrino flavor ratios as well as the number of thermal neutrinos expected on Earth.

  7. Thermal boundary conductance enhancement using experimentally achievable nanostructured interfaces - analytical study combined with molecular dynamics simulation.

    PubMed

    Lee, Eungkyu; Zhang, Teng; Hu, Ming; Luo, Tengfei

    2016-06-22

    Interfacial thermal resistance presents great challenges to the thermal management of modern electronics. In this work, we perform an analytical study to enhance the thermal boundary conductance (TBC) of nanostructured interfaces with square-shape pillar arrays, extendable to the characteristic lengths that can be fabricated in practice. As a representative system, we investigate a SiC substrate with the square-shape pillar array combined with epitaxial GaN as the nanostructured interface. By applying a first-order ray tracing method and molecular dynamics simulations to analyze phonon incidence and transmission at the nanostructured interface, we systematically study the impact of the characteristic dimensions of the pillar array on the TBC. Based on the multi-scale analysis we provide a general guideline to optimize the nanostructured interfaces to achieve higher TBC, demonstrating that the optimized TBC value of the nanostructured SiC/GaN interfaces can be 42% higher than that of the planar SiC/GaN interfaces without nanostructures. The model used and results obtained in this study will guide the further experimental realization of nanostructured interfaces for better thermal management in microelectronics.

  8. Thermal annealing treatment to achieve switchable and reversible oleophobicity on fabrics.

    PubMed

    Chhatre, Shreerang S; Tuteja, Anish; Choi, Wonjae; Revaux, Amélie; Smith, Derek; Mabry, Joseph M; McKinley, Gareth H; Cohen, Robert E

    2009-12-01

    Surfaces that are strongly nonwetting to oil and other low surface tension liquids can be realized by trapping microscopic pockets of air within the asperities of a re-entrant texture and generating a solid-liquid-vapor composite interface. For low surface tension liquids such as hexadecane (gamma(lv) = 27.5 mN/m), this composite interface is metastable as a result of the low value of the equilibrium contact angle. Consequently, pressure perturbations can result in an irreversible transition of the metastable composite interface to the fully wetted interface. In this work, we use a simple dip-coating and thermal annealing procedure to tune the liquid wettability of commercially available polyester fabrics. A mixture of 10% 1H,1H,2H,2H-heptadecafluorodecyl polyhedral oligomeric silsesquioxane (fluorodecyl POSS) and 90% polyethyl methacrylate (PEMA) is used to uniformly coat the fabric surface topography. Contact angle measurements show that a robust metastable composite interface with high apparent contact angles can be supported for hexadecane (gamma(lv) = 27.5 mN/m) and dodecane (gamma(lv) = 25.3 mN/m). To tune the solid surface energy of the coated surface, we also developed a reversible treatment using thermal annealing of the surface in contact with either dry air or water. The tunability of the solid surface energy along with the inherent re-entrant texture of the polyester fabric result in reversibly switchable oleophobicity between a highly nonwetting state and a fully wetted state for low surface tension liquids such as hexadecane and dodecane. This tunability can be explained within a design parameter framework, which provides a quantitative criterion for the transition between the two states, as well as accurate predictions of the measured values of the apparent contact angle (theta*) for the dip-coated polyester fabrics.

  9. Breaking the double-edged sword of effort/trying hard: Developmental equilibrium and longitudinal relations among effort, achievement, and academic self-concept.

    PubMed

    Marsh, Herbert W; Pekrun, Reinhard; Lichtenfeld, Stephanie; Guo, Jiesi; Arens, A Katrin; Murayama, Kou

    2016-08-01

    Ever since the classic research of Nicholls (1976) and others, effort has been recognized as a double-edged sword: while it might enhance achievement, it undermines academic self-concept (ASC). However, there has not been a thorough evaluation of the longitudinal reciprocal effects of effort, ASC, and achievement, in the context of modern self-concept theory and statistical methodology. Nor have there been developmental equilibrium tests of whether these effects are consistent across the potentially volatile early-to-middle adolescence. Hence, focusing on mathematics, we evaluate reciprocal effects models (REMs) over the first 4 years of secondary school (grades 5-8), relating effort, achievement (test scores and school grades), ASC, and ASC × Effort interactions for a representative sample of 3,144 German students (Mage = 11.75 years at Wave 1). ASC, effort, and achievement were positively correlated at each wave, and there was a clear pattern of positive reciprocal positive effects among ASC, test scores, and school grades-each contributing to the other, after controlling for the prior effects of all others. There was an asymmetrical pattern of effects for effort that is consistent with the double-edged sword premise: prior school grades had positive effects on subsequent effort, but prior effort had nonsignificant or negative effects on subsequent grades and ASC. However, on the basis of a synergistic application of new theory and methodology, we predicted and found a significant ASC × Effort interaction, such that prior effort had more positive effects on subsequent ASC and school grades when prior ASC was high-thus providing a key to breaking the double-edged sword. (PsycINFO Database Record

  10. Numerical Analysis of Threshold between Laser-Supported Detonation and Combustion Wave Using Thermal Non-Equilibrium and Multi-Charged Ionization Model

    NASA Astrophysics Data System (ADS)

    Shiraishi, Hiroyuki; Kumagai, Yuya

    Laser-supported Detonation (LSD), which is one type of Laser-supported Plasma (LSP), is an important phenomenon because it can generate high pressures and temperatures for laser absorption. In this study, using thermal-non-equilibrium model, we numerically simulate LSPs, which are categorized as either LSDs or laser-supported combustion-waves (LSCs). For the analysis model, a two-temperature (heavy particle and electron-temperature) model has been used because the electronic mode excites first in laser absorption and a thermal non-equilibrium state easily arises. In the numerical analysis of the LSDs, laser absorption models are particularly important. Therefore, a multi-charged ionization model is considered to evaluate precisely the propagation and the structure transition of the LSD waves in the proximity of the LSC-LSD threshold. In the new model, the transition of the LSD construction near the threshold, which is indicated by the ionization delay length, becomes more practical.

  11. Thermal and Mechanical Non-Equilibrium Effects on Turbulent Flows: Fundamental Studies of Energy Exchanges Through Direct Numerical Simulations, Molecular Simulations and Experiments

    DTIC Science & Technology

    2016-02-26

    AFRL-AFOSR-VA-TR-2016-0104 Thermal and mechanical non-equilibrium effects on turbulent flows:fundamental studies of energy exchanges through direct ...flows: fundamental studies of energy exchanges through direct numerical simulations, molecular simulations and experiments 5a.  CONTRACT NUMBER 5b...control of basic fluid dynamic processes is of direct relevance to AFOSR scientific objectives especially for turbulence flows. The very limited

  12. A SPITZER SURVEY OF MID-INFRARED MOLECULAR EMISSION FROM PROTOPLANETARY DISKS. II. CORRELATIONS AND LOCAL THERMAL EQUILIBRIUM MODELS

    SciTech Connect

    Salyk, C.; Pontoppidan, K. M.; Blake, G. A.; Najita, J. R.; Carr, J. S.

    2011-04-20

    We present an analysis of Spitzer Infrared Spectrograph observations of H{sub 2}O, OH, HCN, C{sub 2}H{sub 2}, and CO{sub 2} emission, and Keck-NIRSPEC observations of CO emission, from a diverse sample of T Tauri and Herbig Ae/Be circumstellar disks. We find that detections and strengths of most mid-IR molecular emission features are correlated with each other, suggesting a common origin and similar excitation conditions for this mid-infrared line forest. Aside from the remarkable differences in molecular line strengths between T Tauri, Herbig Ae/Be, and transitional disks discussed in Pontoppidan et al., we note that the line detection efficiency is anti-correlated with the 13/30 {mu}m spectral slope, which is a measure of the degree of grain settling in the disk atmosphere. We also note a correlation between detection efficiency and H{alpha} equivalent width, and tentatively with accretion rate, suggesting that accretional heating contributes to line excitation. If detected, H{sub 2}O line fluxes are correlated with the mid-IR continuum flux, and other co-varying system parameters, such as L{sub *}. However, significant sample variation, especially in molecular line ratios, remains, and its origin has yet to be explained. Local thermal equilibrium (LTE) models of the H{sub 2}O emission show that line strength is primarily related to the best-fit emitting area, and this accounts for most source-to-source variation in H{sub 2}O emitted flux. Best-fit temperatures and column densities cover only a small range of parameter space, near {approx}10{sup 18} cm{sup -2} and 450 K for all sources, suggesting a high abundance of H{sub 2}O in many planet-forming regions. Other molecules have a range of excitation temperatures from {approx}500to1500 K, also consistent with an origin in planet-forming regions. We find molecular ratios relative to water of {approx}10{sup -3} for all molecules, with the exception of CO, for which n(CO)/n(H{sub 2}O) {approx} 1. However, LTE

  13. Realization of the thermal equilibrium in inhomogeneous magnetic systems by the Landau-Lifshitz-Gilbert equation with stochastic noise, and its dynamical aspects

    NASA Astrophysics Data System (ADS)

    Nishino, Masamichi; Miyashita, Seiji

    2015-04-01

    It is crucially important to investigate the effects of temperature on magnetic properties such as critical phenomena, nucleation, pinning, domain wall motion, and coercivity. The Landau-Lifshitz-Gilbert (LLG) equation has been applied extensively to study dynamics of magnetic properties. Approaches of Langevin noises have been developed to introduce the temperature effect into the LLG equation. To have the thermal equilibrium state (canonical distribution) as the steady state, the system parameters must satisfy some condition known as the fluctuation-dissipation relation. In inhomogeneous magnetic systems in which spin magnitudes are different at sites, the condition requires that the ratio between the amplitude of the random noise and the damping parameter depend on the magnitude of the magnetic moment at each site. Focused on inhomogeneous magnetic systems, we systematically showed agreement between the stationary state of the stochastic LLG equation and the corresponding equilibrium state obtained by Monte Carlo simulations in various magnetic systems including dipole-dipole interactions. We demonstrated how violations of the condition result in deviations from the true equilibrium state. We also studied the characteristic features of the dynamics depending on the choice of the parameter set. All the parameter sets satisfying the condition realize the same stationary state (equilibrium state). In contrast, different choices of parameter set cause seriously different relaxation processes. We show two relaxation types, i.e., magnetization reversals with uniform rotation and with nucleation.

  14. Thermal effects in equilibrium surface segregation in a copper/10-atomic-percent-aluminum alloy using Auger electron spectroscopy

    NASA Technical Reports Server (NTRS)

    Ferrante, J.

    1972-01-01

    Equilibrium surface segregation of aluminum in a copper-10-atomic-percent-aluminum single crystal alloy oriented in the /111/ direction was demonstrated by using Auger electron spectroscopy. This crystal was in the solid solution range of composition. Equilibrium surface segregation was verified by observing that the aluminum surface concentration varied reversibly with temperature in the range 550 to 850 K. These results were curve fitted to an expression for equilibrium grain boundary segregation and gave a retrieval energy of 5780 J/mole (1380 cal/mole) and a maximum frozen-in surface coverage three times the bulk layer concentration. Analyses concerning the relative merits of sputtering calibration and the effects of evaporation are also included.

  15. On magnetohydrodynamic thermal instabilities in magnetic flux tubes. [in plane parallel stellar atmosphere in LTE and hydrostatic equilibrium

    NASA Technical Reports Server (NTRS)

    Massaglia, S.; Ferrari, A.; Bodo, G.; Kalkofen, W.; Rosner, R.

    1985-01-01

    The stability of current-driven filamentary modes in magnetic flux tubes embedded in a plane-parallel atmosphere in LTE and in hydrostatic equilibrium is discussed. Within the tube, energy transport by radiation only is considered. The dominant contribution to the opacity is due to H- ions and H atoms (in the Paschen continuum). A region in the parameter space of the equilibrium configuration in which the instability is effective is delimited, and the relevance of this process for the formation of structured coronae in late-type stars and accretion disks is discussed.

  16. Nonlinear convective analysis of a rotating Oldroyd-B nanofluid layer under thermal non-equilibrium utilizing Al2O3-EG colloidal suspension

    NASA Astrophysics Data System (ADS)

    Agarwal, Shilpi; Rana, Puneet

    2016-04-01

    In this paper, we examine a layer of Oldroyd-B nanofluid for linear and nonlinear regimes under local thermal non-equilibrium conditions for the classical Rayleigh-Bénard problem. The free-free boundary condition has been implemented with the flux for nanoparticle concentration being zero at edges. The Oberbeck-Boussinesq approximation holds good and for the rotational effect Coriolis term is included in the momentum equation. A two-temperature model explains the effect of local thermal non-equilibrium among the particle and fluid phases. The criteria for onset of stationary convection has been derived as a function of the non-dimensionalized parameters involved including the Taylor number. The assumed boundary conditions negate the possibility of overstability due to the absence of opposing forces responsible for it. The thermal Nusselt number has been obtained utilizing a weak nonlinear theory in terms of various pertinent parameters in the steady and transient mode, and has been depicted graphically. The main findings signify that the rotation has a stabilizing effect on the system. The stress relaxation parameter λ_1 inhibits whereas the strain retardation parameter λ_2 exhibits heat transfer utilizing Al2O3 nanofluids.

  17. A Thermal Equilibrium Analysis of Line Contact Hydrodynamic Lubrication Considering the Influences of Reynolds Number, Load and Temperature

    PubMed Central

    Yu, Xiaoli; Sun, Zheng; Huang, Rui; Zhang, Yu; Huang, Yuqi

    2015-01-01

    Thermal effects such as conduction, convection and viscous dissipation are important to lubrication performance, and they vary with the friction conditions. These variations have caused some inconsistencies in the conclusions of different researchers regarding the relative contributions of these thermal effects. To reveal the relationship between the contributions of the thermal effects and the friction conditions, a steady-state THD analysis model was presented. The results indicate that the contribution of each thermal effect sharply varies with the Reynolds number and temperature. Convective effect could be dominant under certain conditions. Additionally, the accuracy of some simplified methods of thermo-hydrodynamic analysis is further discussed. PMID:26244665

  18. A Thermal Equilibrium Analysis of Line Contact Hydrodynamic Lubrication Considering the Influences of Reynolds Number, Load and Temperature.

    PubMed

    Yu, Xiaoli; Sun, Zheng; Huang, Rui; Zhang, Yu; Huang, Yuqi

    2015-01-01

    Thermal effects such as conduction, convection and viscous dissipation are important to lubrication performance, and they vary with the friction conditions. These variations have caused some inconsistencies in the conclusions of different researchers regarding the relative contributions of these thermal effects. To reveal the relationship between the contributions of the thermal effects and the friction conditions, a steady-state THD analysis model was presented. The results indicate that the contribution of each thermal effect sharply varies with the Reynolds number and temperature. Convective effect could be dominant under certain conditions. Additionally, the accuracy of some simplified methods of thermo-hydrodynamic analysis is further discussed.

  19. Dynamical properties of α-amylase in the folded and unfolded state: the role of thermal equilibrium fluctuations for conformational entropy and protein stabilisation

    NASA Astrophysics Data System (ADS)

    Fitter, J.; Herrmann, R.; Hauß, T.; Lechner, R. E.; Dencher, N. A.

    2001-07-01

    A comparative analysis of thermal equilibrium fluctuations occurring in a mesophilic and in a thermophilic α-amylase was performed to study the effect of structural fluctuations on thermostability. The thermal fluctuations determining the conformational entropy of both enzymes have been characterised for the folded (at 30°C and 60°C) and for the unfolded state by applying neutron spectroscopy (at 30°C). The folded state shows a higher structural flexibility for the thermophilic protein as compared to the mesophilic homologue. In contrast, the unfolded state of both enzymes is rather similar with respect to the structural fluctuations. On the basis of this result, a mechanism characterised by entropic stabilisation (i.e., smaller Δ S for the unfolding transition of thermophilic α-amylase) can be assumed to be responsible for the higher thermostability of the thermophilic enzyme.

  20. Thermal And Chemical Non-Equilibrium Effects In The Wake Of A Boundary-Layer Sized Object In Hypersonic Flows

    NASA Astrophysics Data System (ADS)

    Birrer, Marcel; Stemmer, Christian; Adams, Nikolaus N.

    2011-05-01

    Investigations of hypersonic boundary-layer flows around a cubical obstacle with a height in the order of half the boundary layer thickness were carried out in this work. Special interest was laid on the influence of chemical non-equilibrium effects on the wake flow of the obstacle. Direct numerical simulations were conducted using three different gas models, a caloric perfect, an equilibrium and a chemical non-equilibrium gas model. The geometry was chosen as a wedge with a six degree half angle, according to the aborted NASA HyBoLT free flight experiment. At 0.5 m downstream of the leading edge, a surface trip was positioned. The free-stream flow was set to Mach 8.5 with air conditions taken from the 1976 standard atmosphere at an altitude of 42 km according to the predicted flight path. The simulations were done in three steps for all models. First, two-dimensional calculations of the whole configuration including the leading edge and the obstacle were conducted. These provide constant span-wise profiles for detailed, steady three-dimensional simulations around the close vicinity of the obstacle. A free-stream Mach number of about 6.3 occurs behind the shock. A cross-section in the wake of the object then delivers the steady inflow for detailed unsteady simulations of the wake. Perturbations at unstable frequencies, obtained from a bi-global secondary stability analysis, were added to these profiles. The solutions are time-Fourier transformed to investigate the unsteady downstream development of the different modes due to the interaction with the base-flow containing two counter-rotating vortices. Results will be presented that show the influence of the presence of chemical non-equilibrium on the instability in the wake of the object leading to a laminar or a turbulent wake.

  1. Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: a systematic study of several common force fields.

    PubMed

    Trinh, Thuat T; Vlugt, Thijs J H; Kjelstrup, Signe

    2014-10-07

    We report a systematic investigation of the thermal conductivity of various three-site models of carbon dioxide (CO2) using nonequilibrium molecular dynamics in the temperature range 300-1000 K and for pressures up to 200 MPa. A direct comparison with experimental data is made. Three popular CO2 force fields (MSM, EPM2, and TraPPE) and two flexible models (based on EPM2) were investigated. All rigid force fields accurately predict the equation of state for carbon dioxide for the given range of variables. They can also reproduce the thermal conductivity of CO2 at room temperature and predict a decrease of the thermal conductivity with increasing temperature. At high temperatures, the rigid models underestimate the thermal conductivity.

  2. Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: A systematic study of several common force fields

    NASA Astrophysics Data System (ADS)

    Trinh, Thuat T.; Vlugt, Thijs J. H.; Kjelstrup, Signe

    2014-10-01

    We report a systematic investigation of the thermal conductivity of various three-site models of carbon dioxide (CO2) using nonequilibrium molecular dynamics in the temperature range 300-1000 K and for pressures up to 200 MPa. A direct comparison with experimental data is made. Three popular CO2 force fields (MSM, EPM2, and TraPPE) and two flexible models (based on EPM2) were investigated. All rigid force fields accurately predict the equation of state for carbon dioxide for the given range of variables. They can also reproduce the thermal conductivity of CO2 at room temperature and predict a decrease of the thermal conductivity with increasing temperature. At high temperatures, the rigid models underestimate the thermal conductivity.

  3. Achieving thermography with a thermal security camera using uncooled amorphous silicon microbolometer image sensors

    NASA Astrophysics Data System (ADS)

    Wang, Yu-Wei; Tesdahl, Curtis; Owens, Jim; Dorn, David

    2012-06-01

    Advancements in uncooled microbolometer technology over the last several years have opened up many commercial applications which had been previously cost prohibitive. Thermal technology is no longer limited to the military and government market segments. One type of thermal sensor with low NETD which is available in the commercial market segment is the uncooled amorphous silicon (α-Si) microbolometer image sensor. Typical thermal security cameras focus on providing the best image quality by auto tonemaping (contrast enhancing) the image, which provides the best contrast depending on the temperature range of the scene. While this may provide enough information to detect objects and activities, there are further benefits of being able to estimate the actual object temperatures in a scene. This thermographic ability can provide functionality beyond typical security cameras by being able to monitor processes. Example applications of thermography[2] with thermal camera include: monitoring electrical circuits, industrial machinery, building thermal leaks, oil/gas pipelines, power substations, etc...[3][5] This paper discusses the methodology of estimating object temperatures by characterizing/calibrating different components inside a thermal camera utilizing an uncooled amorphous silicon microbolometer image sensor. Plots of system performance across camera operating temperatures will be shown.

  4. Long-term evolution of stellar self-gravitating systems away from thermal equilibrium: connection with nonextensive statistics.

    PubMed

    Taruya, Atsushi; Sakagami, Masa-aki

    2003-05-09

    With particular attention to the recently postulated introduction of a nonextensive generalization of Boltzmann-Gibbs statistics, we study the long-term stellar dynamical evolution of self-gravitating systems on time scales much longer than the two-body relaxation time. In a self-gravitating N-body system confined in an adiabatic wall, we show that the quasiequilibrium sequence arising from the Tsallis entropy, so-called stellar polytropes, plays an important role in characterizing the transient states away from the Boltzmann-Gibbs equilibrium state.

  5. Improved Thermal Conductivity in Carbon Nanotubes-Reinforced Syntactic Foam Achieved by a New Dispersing Technique

    NASA Astrophysics Data System (ADS)

    Bhat, P.; Zegeye, E.; Ghamsari, A. K.; Woldesenbet, E.

    2015-12-01

    Syntactic foams are composite materials in which the matrix phase is reinforced with hollow micro-particles. Traditionally, syntactic foams are used for many high strength applications and as insulating materials. However, for applications demanding better heat dissipation, such as thermal management of electronic packaging, conductive fillers need to be added to syntactic foam. Carbon nanotubes (CNTs), although extremely conductive, have issues of agglomeration in the matrix. In this research, CNT-reinforced syntactic foam was developed based on our approach through which CNTs were dispersed throughout the matrix by growing them on the surface of glass microballoons. The thermal conductivity of nanotube-grown syntactic foam was tested with a Flashline® thermal analyzer. For comparison purposes, plain and nanotube-mixed syntactic foams were also fabricated and tested. Nanotube-grown microballoons improved the thermal conductivity of syntactic foam by 86% and 92% (at 50°C) compared to plain and nanotube-mixed syntactic foams, respectively. The improved thermal conductivity as well as the microstructural analysis proved the effectiveness of this approach for dispersing the carbon nanotubes in syntactic foams.

  6. Fluorescent microthermal imaging-theory and methodology for achieving high thermal resolution images

    SciTech Connect

    Barton, D.L.; Tangyunyong, P.

    1995-09-01

    The fluorescent microthermal imaging technique (FMI) involves coating a sample surface with an inorganic-based thin film that, upon exposure to UV light, emits temperature-dependent fluorescence. FMI offers the ability to create thermal maps of integrated circuits with a thermal resolution theoretically limited to 1 m{degrees}C and a spatial resolution which is diffraction-limited to 0.3 {mu}m. Even though the fluorescent microthermal imaging (FMI) technique has been around for more than a decade, many factors that can significantly affect the thermal image quality have not been systematically studied and characterized. After a brief review of FMI theory, we will present our recent results demonstrating for the first time three important factors that have a dramatic impact on the thermal quality and sensitivity of FMI. First, the limitations imparted by photon shot noise and improvement in the signal-to-noise ratio realized through signal averaging will be discussed. Second, ultraviolet bleaching, an unavoidable problem with FMI as it currently is performed, will be characterized to identify ways to minimize its effect. Finally, the impact of film dilution on thermal sensitivity will be discussed.

  7. Effects of finite wall thickness and sinusoidal heating on convection in nanofluid-saturated local thermal non-equilibrium porous cavity

    NASA Astrophysics Data System (ADS)

    Alsabery, A. I.; Chamkha, A. J.; Saleh, H.; Hashim, I.; Chanane, B.

    2017-03-01

    The effects of finite wall thickness and sinusoidal heating on convection in a nanofluid-saturated local thermal non-equilibrium (LTNE) porous cavity are studied numerically using the finite difference method. The finite thickness vertical wall of the cavity is maintained at a constant temperature and the right wall is heated sinusoidally. The horizontal insulated walls allow no heat transfer to the surrounding. The Darcy law is used along with the Boussinesq approximation for the flow. Water-based nanofluids with Cu nanoparticles are chosen for investigation. The results of this study are obtained for various parameters such as the Rayleigh number, periodicity parameter, nanoparticles volume fraction, thermal conductivity ratio, ratio of wall thickness to its height and the modified conductivity ratio. Explanation for the influence of the various above-mentioned parameters on the streamlines, isotherms, local Nusselt number and the weighted average heat transfer is provided with regards to the thermal conductivities of nanoparticles suspended in the pure fluid and the porous medium. It is shown that the overall heat transfer is significantly increased with the relative non-uniform heating. Further, the convection heat transfer is shown to be inhibited by the presence of the solid wall. The results have possible applications in the heat-storage fluid-saturated porous systems and the applications of the high power heat transfer.

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

    NASA Astrophysics Data System (ADS)

    Zhou, Z. Z.; Yang, W.; Chen, S. H.; Yu, H.; Xu, Z. F.

    2014-06-01

    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-Mg17Al12 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-Mg17Al12 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.

  9. Topologically protected modes in non-equilibrium stochastic systems

    PubMed Central

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-01

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function. PMID:28071644

  10. Topologically protected modes in non-equilibrium stochastic systems

    NASA Astrophysics Data System (ADS)

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-01

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function.

  11. Topologically protected modes in non-equilibrium stochastic systems.

    PubMed

    Murugan, Arvind; Vaikuntanathan, Suriyanarayanan

    2017-01-10

    Non-equilibrium driving of biophysical processes is believed to enable their robust functioning despite the presence of thermal fluctuations and other sources of disorder. Such robust functions include sensory adaptation, enhanced enzymatic specificity and maintenance of coherent oscillations. Elucidating the relation between energy consumption and organization remains an important and open question in non-equilibrium statistical mechanics. Here we report that steady states of systems with non-equilibrium fluxes can support topologically protected boundary modes that resemble similar modes in electronic and mechanical systems. Akin to their electronic and mechanical counterparts, topological-protected boundary steady states in non-equilibrium systems are robust and are largely insensitive to local perturbations. We argue that our work provides a framework for how biophysical systems can use non-equilibrium driving to achieve robust function.

  12. Breaking the Double-Edged Sword of Effort/Trying Hard: Developmental Equilibrium and Longitudinal Relations among Effort, Achievement, and Academic Self-Concept

    ERIC Educational Resources Information Center

    Marsh, Herbert W.; Pekrun, Reinhard; Lichtenfeld, Stephanie; Guo, Jiesi; Arens, A. Katrin; Murayama, Kou

    2016-01-01

    Ever since the classic research of Nicholls (1976) and others, effort has been recognized as a double-edged sword: while it might enhance achievement, it undermines academic self-concept (ASC). However, there has not been a thorough evaluation of the longitudinal reciprocal effects of effort, ASC, and achievement, in the context of modern…

  13. An upwind, kinetic flux-vector splitting method for flows in chemical and thermal non-equilibrium

    NASA Technical Reports Server (NTRS)

    Eppard, W. M.; Grossman, B.

    1993-01-01

    We have developed new upwind kinetic difference schemes for flows with non-equilibrium thermodynamics and chemistry. These schemes are derived from the Boltzmann equation with the resulting Euler schemes developed as moments of the discretized Boltzmann scheme with a locally Maxwellian velocity distribution. Splitting the velocity distribution at the Boltzmann level is seen to result in a flux-split Euler scheme and is called Kinetic Flux Vector Splitting (KFVS). Extensions to flows with finite-rate chemistry and vibrational relaxation is accomplished utilizing nonequilibrium kinetic theory. Computational examples are presented comparing KFVS with the schemes of Van Leer and Roe for a quasi-one-dimensional flow through a supersonic diffuser, inviscid flow through two-dimensional inlet, and viscous flow over a cone at zero angle-of-attack. Calculations are also shown for the transonic flow over a bump in a channel and the transonic flow over an NACA 0012 airfoil. The results show that even though the KFVS scheme is a Riemann solver at the kinetic level, its behavior at the Euler level is more similar to the existing flux-vector splitting algorithms than to the flux-difference splitting scheme of Roe.

  14. First Achievements and Opportunities for Cancer Treatment Using Non-thermal Plasma

    NASA Astrophysics Data System (ADS)

    Robert, Eric; Vandamme, Marc; Sobilo, Julien; Sarron, Vanessa; Ries, Delphine; Dozias, Sébastien; Brulle, Laura; Lerondel, Stéphanie; Le Pape, Alain; Pouvesle, Jean Michel

    This paper summarizes the experimental results and plasma delivery strategy developed in Orléans for the evaluation of antitumor action of dielectric barrier discharge and plasma gun for cancer treatment. Detailed analysis of biological effects following non thermal plasma application for both in vitro and in vivo experiments reveals the role of ROS, DNA damage induction, cell cycle modification and apoptosis induction. Recent characterization of plasma splitting and ­mixing in different capillary geometries, using the plasma gun, together with preliminary tolerance study dealing with lung and colon treatment indicate that endoscopic plasma delivery may be a new and valuable therapy in cancerology.

  15. Partition Equilibrium

    NASA Astrophysics Data System (ADS)

    Feldman, Michal; Tennenholtz, Moshe

    We introduce partition equilibrium and study its existence in resource selection games (RSG). In partition equilibrium the agents are partitioned into coalitions, and only deviations by the prescribed coalitions are considered. This is in difference to the classical concept of strong equilibrium according to which any subset of the agents may deviate. In resource selection games, each agent selects a resource from a set of resources, and its payoff is an increasing (or non-decreasing) function of the number of agents selecting its resource. While it has been shown that strong equilibrium exists in resource selection games, these games do not possess super-strong equilibrium, in which a fruitful deviation benefits at least one deviator without hurting any other deviator, even in the case of two identical resources with increasing cost functions. Similarly, strong equilibrium does not exist for that restricted two identical resources setting when the game is played repeatedly. We prove that for any given partition there exists a super-strong equilibrium for resource selection games of identical resources with increasing cost functions; we also show similar existence results for a variety of other classes of resource selection games. For the case of repeated games we identify partitions that guarantee the existence of strong equilibrium. Together, our work introduces a natural concept, which turns out to lead to positive and applicable results in one of the basic domains studied in the literature.

  16. Environmental natural processes that achieve thermal comfort in multifamily buildings in hot-arid regions

    NASA Astrophysics Data System (ADS)

    Moreno, Paola

    Buildings, especially in hot climates, consume a lot of energy when people want to be comfortable inside them, which translates to very expensive fees each month. The most innovative response to this problem is renewable energy, that is used, in this case, to run mechanical HVAC systems. Renewable energy is the solution for many problems, but to avoid urban heat islands when using excessive HVAC systems (powered by renewables), and to solve thermal comfort-related problems, there has to be other solution. The major challenge to find it would be to have a change of thinking process. If a building in a hot-arid region uses natural processes to emulate the functions of HVAC systems, and the proper passive strategies, then, it will provide thermal comfort to its users, diminishing the need of a mechanical system. This hypothesis will be carried out by extracting the natural processes found in a specific case in nature, applying them into a building's design, and then simulating its energy efficiency with the adequate software. There will be a comparison of the same proposed building without the natural processes, to have tangible numbers showing that these proposed strategies, in fact, work. With explanatory detailed diagrams and the energy analysis, the hypothesis could be proven correct or incorrect. The significance of this approach relies on the proximity to the natural processes that have been working in different aspects of life since the beginning of time. They have been there all the time, waiting until architects, engineers, and people in general use them, instead of making more new energy-using inventions. By having the numbers from a conventional building and the ones of the proposed building, and the right environmental diagrams, the experiment should be valid. In the near future, there should be more research focused on nature and its processes, in order to be able to reduce the use of mechanical systems, and with that, reduce the energy use and the carbon

  17. Entropy generation for an axisymmetric MHD flow under thermal non-equilibrium in porous micro duct using a modified lattice Boltzmann method

    NASA Astrophysics Data System (ADS)

    Rabhi, Raja; Amami, Bayssain; Dhahri, Hacen; Mhimid, Abdallah

    2016-12-01

    The present paper centered on a numerical investigation of irreversibility within a porous micro duct subjected to an external oriented magnetic field. At the wall, slip velocity and temperature jump are used as types of boundary conditions. The flow is described by Darcy-Brinkman-Forchheimer model. The Local Thermal Non Equilibrium (LTNE) is adopted including viscous dissipation effects into the energy equation of fluid phase. The study has been carried out for slip-flow regime for wide range of Knudsen numbers, 10-3 ≤ Kn ≤ 10-1 . The obtained governing system equations are solved using the modified Lattice Boltzmann Method (LBM). Efforts are focused on identifying the influence of magnetic field on the entropy generation and Bejan number with a change of various parameters such as Knudsen, Eckert, Biot, Darcy numbers and thermal conductivity ratio. The obtained results show that the irreversibility and the contribution of heat transfer irreversibility and fluid flow irreversibility are strongly affected by the presence of magnetic field.

  18. Modeling of non-equilibrium and non-thermal plasma discharge in air: Three temperature modeling approach

    NASA Astrophysics Data System (ADS)

    Mahamud, Rajib; Farouk, Tanvir

    2014-10-01

    The rapid progress in atmospheric pressure non-thermal plasma discharge has made air to be a preferable choice for feed gas. Despite the ease of operation of such discharges in air, the preference of air provides added complexity to modeling and simulations in terms of kinetics and different temperature modes. The diatomic nature of both N2 and O2 contributes to this complexity. In this work we report simulation results from a one-dimensional multi-physics model. A dc driven air plasma discharge operating at atmospheric and higher pressure is simulated. The model considers 50 species and 200 elementary reactions. The reaction scheme considers electron introduced and heavy particle reactions for N2 and O2 as well as interactions between nitrogen and oxygen. In addition to the species conservation equations, poisson's equation three different temperature's are resolved - electron, vibrational and translational. A special focus has been the coupling between the different temperatures to accurately resolve the energy cascade. The predictions from the model are found to be in good qualitative agreement against experimental measurements available in the literature. Work was supported by DARPA under Army Research Office (ARO) Grant No. W911NF1210007.

  19. Thermal and Mechanical Non-equilibrium Effects on Turbulent Flows Fundamental Studies of Energy Exchanges Through Direct Numerical Simulations and Experiments

    DTIC Science & Technology

    2013-10-21

    turbulence, turbulence shock interactions and photochemistry of LINE (Laser Induced Non Equilibrium) molecules, and (4) lay down framework to...3) study previous literature on compressible turbulence, turbulence shock interactions and photochemistry of LINE (Laser Induced Non Equilibrium...turbulence shock interactions and photochemistry of LINE molecules, and (4) perform equilibrium turbulence interactions studies with a normal shock wave in

  20. Conditional stability for thermal convection in a rotating couple-stress fluid saturating a porous media with temperature- and pressure-dependent viscosity using a thermal non-equilibrium model

    NASA Astrophysics Data System (ADS)

    Sunil; Choudhary, Shalu; Mahajan, Amit

    2014-06-01

    A nonlinear stability threshold for convection in a rotating couple-stress fluid saturating a porous medium with temperature- and pressure-dependent viscosity using a thermal non-equilibrium model is found to be exactly the same as the linear instability boundary. This optimal result is important because it shows that linear theory has completely captured the physics of the onset of convection. The effects of couple-stress fluid parameter F, temperature- and pressure-dependent viscosity Γ, interface heat transfer coefficient H, Taylor number TA, Darcy-Brinkman number D˜a, and porosity modified conductivity ratio γ on the onset of convection have been investigated. Asymptotic analysis for both small and large values of interface heat transfer coefficient H is also presented. An excellent agreement is found between the exact solutions and asymptotic solutions.

  1. Direct observation of the solvent effects on the low-lying nπ* and ππ* excited triplet states of acetophenone derivatives in thermal equilibrium.

    PubMed

    Narra, Sudhakar; Shigeto, Shinsuke

    2015-03-05

    Low-lying excited triplet states of aromatic carbonyl compounds exhibit diverse photophysical and photochemical properties of fundamental importance. Despite tremendous effort in studying those triplet states, the effects of substituents and solvents on the energetics of the triplet manifold and on photoreactivity remain to be fully understood. We have recently studied the ordering of the low-lying nπ* and ππ* excited triplet states and its substituent dependence in acetophenone derivatives using nanosecond time-resolved near-IR (NIR) spectroscopy. Here we address the other important issue, the solvent effects, by directly observing the electronic bands in the NIR that originate from the lowest nπ* and ππ* states of acetophenone derivatives in four solvents of different polarity (n-heptane, benzene, acetonitrile, and methanol). The two transient NIR bands decay synchronously in all the solvents, indicating that the lowest nπ* and ππ* states are in thermal equilibrium irrespective of the solvent polarity studied here. We found that the ππ* band increases in intensity relative to the nπ* band as solvent polarity increases. These results are compared with the photoreduction rate constant for the acetophenone derivatives in the solvents to which 2-propanol was added as a hydrogen-atom donor. Based on the present findings, we present a comprehensive, solvent- and substituent-dependent energy level diagram of the low-lying nπ* and ππ* excited triplet states.

  2. NON-LOCAL THERMAL EQUILIBRIUM MODEL ATMOSPHERES FOR THE HOTTEST WHITE DWARFS: SPECTRAL ANALYSIS OF THE COMPACT COMPONENT IN NOVA V4743 Sgr

    SciTech Connect

    Rauch, T.; Werner, K.; Orio, M.; Gonzales-Riestra, R.; Nelson, T.; Still, M.

    2010-07-01

    Half a year after its outburst in 2002 September, nova V4743 Sgr evolved into the brightest supersoft X-ray source in the sky with a flux maximum around 30 A. We calculated grids of synthetic energy distributions based on non-local thermal equilibrium model atmospheres for the analysis of the hottest white dwarfs (WDs) and present the result of fits to Chandra and XMM-Newton grating X-ray spectra of V4743 Sgr of outstanding quality, exhibiting prominent resonance lines of C V, C VI, N VI, N VII, and O VII in absorption. The nova reached its highest effective temperature (T{sub eff} = 740 {+-} 70 kK) around 2003 April and remained at that temperature at least until 2003 September. We conclude that the WD is massive, {approx}1.1-1.2 M{sub sun}. The nuclear-burning phase lasted for 2-2.5 years after the outburst, probably the average duration for a classical nova. The photosphere of V4743 Sgr was strongly carbon deficient ({approx}0.01 times solar) and enriched in nitrogen and oxygen (>5 times solar). Especially the very low C/N ratio indicates that the material at the WD's surface underwent thermonuclear burning. Thus, this nova retained some of the accreted material and did not eject all of it in outburst. From 2003 March to September, the nitrogen abundance is strongly decreasing; new material is probably already being accreted at this stage.

  3. Direct Observation of Thermal Equilibrium of Excited Triplet States of 9,10-Phenanthrenequinone. A Time-Resolved Resonance Raman Study.

    PubMed

    Kumar, Venkatraman Ravi; Rajkumar, Nagappan; Ariese, Freek; Umapathy, Siva

    2015-10-08

    The photochemistry of aromatic ketones plays a key role in various physicochemical and biological processes, and solvent polarity can be used to tune their triplet state properties. Therefore, a comprehensive analysis of the conformational structure and the solvent polarity induced energy level reordering of the two lowest triplet states of 9,10-phenanthrenequinone (PQ) was carried out using nanosecond-time-resolved absorption (ns-TRA), time-resolved resonance Raman (TR(3)) spectroscopy, and time dependent-density functional theory (TD-DFT) studies. The ns-TRA of PQ in acetonitrile displays two bands in the visible range, and these two bands decay with similar lifetime at least at longer time scales (μs). Interestingly, TR(3) spectra of these two bands indicate that the kinetics are different at shorter time scales (ns), while at longer time scales they followed the kinetics of ns-TRA spectra. Therefore, we report a real-time observation of the thermal equilibrium between the two lowest triplet excited states of PQ, assigned to nπ* and ππ* of which the ππ* triplet state is formed first through intersystem crossing. Despite the fact that these two states are energetically close and have a similar conformational structure supported by TD-DFT studies, the slow internal conversion (∼2 ns) between the T(2)(1(3)nπ*) and T(1)(1(3)ππ*) triplet states indicates a barrier. Insights from the singlet excited states of PQ in protic solvents [ J. Chem. Phys. 2015 , 142 , 24305 ] suggest that the lowest nπ* and ππ* triplet states should undergo hydrogen bond weakening and strengthening, respectively, relative to the ground state, and these mechanisms are substantiated by TD-DFT calculations. We also hypothesize that the different hydrogen bonding mechanisms exhibited by the two lowest singlet and triplet excited states of PQ could influence its ISC mechanism.

  4. The influence of differential irradiation and circulation on the thermal evolution of gas giant planets. I. Upper limits from radiative equilibrium

    SciTech Connect

    Rauscher, Emily; Showman, Adam P.

    2014-04-01

    As a planet ages, it cools and its radius shrinks at a rate set by the efficiency with which heat is transported from the interior out to space. The bottleneck for this transport is at the boundary between the convective interior and the radiative atmosphere; the opacity there sets the global cooling rate. Models of planetary evolution are often one dimensional (1D), such that the radiative-convective boundary (RCB) is defined by a single temperature, pressure, and opacity. In reality the spatially inhomogeneous stellar heating pattern and circulation in the atmosphere could deform the RCB, allowing heat from the interior to escape more efficiently through regions with lower opacity. We present an analysis of the degree to which the RCB could be deformed and the resultant change in the evolutionary cooling rate. In this initial work we calculate the upper limit for this effect by comparing an atmospheric structure in local radiative equilibrium to its 1D equivalent. We find that the cooling through an uneven RCB could be enhanced over cooling through a uniform RCB by as much as 10%-50%. We also show that the deformation of the RCB (and the enhancement of the cooling rate) increases with a greater incident stellar flux or a lower inner entropy. Our results indicate that this mechanism could significantly change a planet's thermal evolution, causing it to cool and shrink more quickly than would otherwise be expected. This may exacerbate the well-known difficulty in explaining the very large radii observed for some hot Jupiters.

  5. Informational Equilibrium.

    DTIC Science & Technology

    1982-09-01

    that for variouis standard types of equilibria* they hold. In particular, if one uses the teaporary equilibrium framework one can use the standard ...T, the integral converges toward f’ia(da) f fU(b~dc)6(a,b,c)T( asdm ) A B C which is fR (da) f d(lib,c) U0 T (cab) A BxC Me converse Is obvious

  6. Numerical modeling of the thermal-hydraulic behavior of wire-on-tube condensers operating with HFC-134a using homogeneous equilibrium model: evaluation of some void fraction correlations

    NASA Astrophysics Data System (ADS)

    Guzella, Matheus dos Santos; Cabezas-Gómez, Luben; da Silva, José Antônio; Maia, Cristiana Brasil; Hanriot, Sérgio de Morais

    2016-02-01

    This study presents a numerical evaluation of the influence of some void fraction correlations over the thermal-hydraulic behavior of wire-on-tube condensers operating with HFC-134a. The numerical model is based on finite volume method considering the homogeneous equilibrium model. Empirical correlations are applied to provide closure relations. Results show that the choice of void fraction correlation influences the refrigerant charge and pressure drop calculations, while no influences the heat transfer rate.

  7. Zeroth Law, Entropy, Equilibrium, and All That

    ERIC Educational Resources Information Center

    Canagaratna, Sebastian G.

    2008-01-01

    The place of the zeroth law in the teaching of thermodynamics is examined in the context of the recent discussion by Gislason and Craig of some problems involving the establishment of thermal equilibrium. The concept of thermal equilibrium is introduced through the zeroth law. The relation between the zeroth law and the second law in the…

  8. Tuning universality far from equilibrium

    PubMed Central

    Karl, Markus; Nowak, Boris; Gasenzer, Thomas

    2013-01-01

    Possible universal dynamics of a many-body system far from thermal equilibrium are explored. A focus is set on meta-stable non-thermal states exhibiting critical properties such as self-similarity and independence of the details of how the respective state has been reached. It is proposed that universal dynamics far from equilibrium can be tuned to exhibit a dynamical transition where these critical properties change qualitatively. This is demonstrated for the case of a superfluid two-component Bose gas exhibiting different types of long-lived but non-thermal critical order. Scaling exponents controlled by the ratio of experimentally tuneable coupling parameters offer themselves as natural smoking guns. The results shed light on the wealth of universal phenomena expected to exist in the far-from-equilibrium realm. PMID:23928853

  9. Use of mean residence time of water, flowrate, and equilibrium temperature indicated by water geothermometers to rank geothermal resources. Application to the thermal water circuits of Northern Calabria

    NASA Astrophysics Data System (ADS)

    Apollaro, Carmine; Vespasiano, Giovanni; Muto, Francesco; De Rosa, Rosanna; Barca, Donatella; Marini, Luigi

    2016-12-01

    A new hydro-geochemical survey was carried out on the thermal sites of Northern Calabria. By use of new and historical data, it was possible to improve the knowledge on the deep systems of interest. First, thermal waters were characterized by means of a classical approach, including water classifications, use of the triangular diagram of Cl-Li-B, and geothermometry through suitably selected functions. Then, the tritium-based mean residence time and flowrate of the thermal waters of Northern Calabria were used to evaluate the volume of the geothermal reservoir and its component terms. Based on these results, the heat stored in the geothermal reservoir was computed by means of the volume method. Their natural heat discharge was also calculated. These parameters as well as the reservoir temperature indicated by water geothermometers were used to rank the geothermal resources of Northern Calabria. Sambiase resulted to be the thermal circuit of highest geothermal potential.

  10. How Far from Equilibrium Is Active Matter?

    PubMed

    Fodor, Étienne; Nardini, Cesare; Cates, Michael E; Tailleur, Julien; Visco, Paolo; van Wijland, Frédéric

    2016-07-15

    Active matter systems are driven out of thermal equilibrium by a lack of generalized Stokes-Einstein relation between injection and dissipation of energy at the microscopic scale. We consider such a system of interacting particles, propelled by persistent noises, and show that, at small but finite persistence time, their dynamics still satisfy a time-reversal symmetry. To do so, we compute perturbatively their steady-state measure and show that, for short persistent times, the entropy production rate vanishes. This endows such systems with an effective fluctuation-dissipation theorem akin to that of thermal equilibrium systems. Last, we show how interacting particle systems with viscous drags and correlated noises can be seen as in equilibrium with a viscoelastic bath but driven out of equilibrium by nonconservative forces, hence providing energetic insight into the departure of active systems from equilibrium.

  11. How Far from Equilibrium Is Active Matter?

    NASA Astrophysics Data System (ADS)

    Fodor, Étienne; Nardini, Cesare; Cates, Michael E.; Tailleur, Julien; Visco, Paolo; van Wijland, Frédéric

    2016-07-01

    Active matter systems are driven out of thermal equilibrium by a lack of generalized Stokes-Einstein relation between injection and dissipation of energy at the microscopic scale. We consider such a system of interacting particles, propelled by persistent noises, and show that, at small but finite persistence time, their dynamics still satisfy a time-reversal symmetry. To do so, we compute perturbatively their steady-state measure and show that, for short persistent times, the entropy production rate vanishes. This endows such systems with an effective fluctuation-dissipation theorem akin to that of thermal equilibrium systems. Last, we show how interacting particle systems with viscous drags and correlated noises can be seen as in equilibrium with a viscoelastic bath but driven out of equilibrium by nonconservative forces, hence providing energetic insight into the departure of active systems from equilibrium.

  12. Accelerating Multiagent Reinforcement Learning by Equilibrium Transfer.

    PubMed

    Hu, Yujing; Gao, Yang; An, Bo

    2015-07-01

    An important approach in multiagent reinforcement learning (MARL) is equilibrium-based MARL, which adopts equilibrium solution concepts in game theory and requires agents to play equilibrium strategies at each state. However, most existing equilibrium-based MARL algorithms cannot scale due to a large number of computationally expensive equilibrium computations (e.g., computing Nash equilibria is PPAD-hard) during learning. For the first time, this paper finds that during the learning process of equilibrium-based MARL, the one-shot games corresponding to each state's successive visits often have the same or similar equilibria (for some states more than 90% of games corresponding to successive visits have similar equilibria). Inspired by this observation, this paper proposes to use equilibrium transfer to accelerate equilibrium-based MARL. The key idea of equilibrium transfer is to reuse previously computed equilibria when each agent has a small incentive to deviate. By introducing transfer loss and transfer condition, a novel framework called equilibrium transfer-based MARL is proposed. We prove that although equilibrium transfer brings transfer loss, equilibrium-based MARL algorithms can still converge to an equilibrium policy under certain assumptions. Experimental results in widely used benchmarks (e.g., grid world game, soccer game, and wall game) show that the proposed framework: 1) not only significantly accelerates equilibrium-based MARL (up to 96.7% reduction in learning time), but also achieves higher average rewards than algorithms without equilibrium transfer and 2) scales significantly better than algorithms without equilibrium transfer when the state/action space grows and the number of agents increases.

  13. Insights about fracture shape and aperture from push-pull thermal tracer tests achieved at different scales

    NASA Astrophysics Data System (ADS)

    Klepikova, Maria V.; Le Borgne, Tanguy; Bour, Olivier; Hochreutener, Rebecca; Lavenant, Nicolas

    2015-04-01

    The prediction of transport patterns in fractured media is a challenging task. Different transport mechanisms are generally contributing: dispersion at fracture scale related to aperture variability, dispersion at network scale due to transport in different flowpaths and matrix diffusion. It is however difficult to know which mechanism is dominant. In this study we test the interest of heat tracer tests for providing new constraints on transport in fractured media by interpreting three push-pull tests of different duration. A series of heat and solute push-pull tracer test with Dirac-type injection was conducted in fractured aquifer of Ploemeur, France. The comparison of solute and heat breakthrough curves shows that due to thermal loss to the rock matrix temperature recovery peak arrives earlier than concentration peak. Moreover, the peak is significantly smaller for temperature recovery while it exhibits a longest tailing. Finally, we found that the recovered peak temperature decreases with scale and has a power law slope of -1 on a log-log plot. By means of flow and heat numerical model, we investigate the relevance of different conceptual models: single 'plate', 'tube' and 'ellipse' homogeneous fracture models at different scales. For all tested fracture geometries temperature breakthrough curves were found to be sensitive to fracture aperture. An 'elliptical tube' fracture model was found to provide the best fit to the data and based on this model, we were able to estimate the aperture of the fracture in the present case. Moreover, the comparison of experimental breakthrough curves and modelling results also suggests that the effective fracture aperture may increase with scale. This work emphasizes that multiple-scale push-pull thermal tests can provide valuable insights on fracture geometry and fracture aperture.

  14. Enhanced thermal stability achieved without increased conformational rigidity at physiological temperatures: spatial propagation of differential flexibility in rubredoxin hybrids.

    PubMed

    LeMaster, David M; Tang, Jianzhong; Paredes, Diana I; Hernández, Griselda

    2005-11-15

    The extreme thermal stability of proteins from hyperthermophilic organisms is widely believed to arise from an increased conformational rigidity in the native state. In apparent contrast to this paradigm, both Pyrococcus furiosus (Pf) rubredoxin, the most thermostable protein characterized to date, and its Clostridium pasteurianum (Cp) mesophile homolog undergo a transient conformational opening of their multi-turn segments, which is more favorable in hyperthermophile proteins below room temperature. Substitution of the hyperthermophile multi-turn sequence into the mesophile protein sequence yields a hybrid, (14-33(Pf)) Cp, that exhibits a 12 degrees increase in its reversible thermal unfolding transition midpoint. Nuclear magnetic resonance (NMR) magnetization transfer-based hydrogen exchange was used to monitor backbone conformational dynamics in the subsecond time regime. Despite the substantially increased thermostability, flexibility throughout the entire main chain of the more thermostable hybrid is equal to or greater than that of the wild type mesophile rubredoxin near its normal growth temperature. In comparison to the identical core residues of the (14-33(Pf)) Cp rubredoxin hybrid, six spatially clustered residues in the parental mesophile protein exhibit a substantially larger temperature dependence of exchange. The exchange behavior of these six residues closely matches that observed in the multi-turn segment, consistent with a more extensive conformational process. These six core residues exhibit a much weaker temperature dependence of exchange in the (14-33(Pf)) Cp hybrid, similar to that observed for the multi-turn segment in its parental Pf rubredoxin. These results suggest that differential temperature dependence of flexibility can underlie variations in thermostability observed for mesophile versus hyperthermophile homologs.

  15. Comparison of experimental and analytical temperatures achieved by DT-18 and PC-1 shipping containers during hypothetical thermal accident tests

    SciTech Connect

    Anderson, J.C.

    1992-03-01

    Temperatures were monitored at various locations on DT-18 and PC-1 shipping packages during furnace tests at the Y-12 Plant in Oak Ridge, Tennessee. The furnace tests are intended to simulate hypothetical thermal accident conditions specified in Title 10 CFR, Pt. 71.73 (c)(3). Maximum temperatures of the outer containers ranged from 750 to 965{degrees}C while typical maximum temperatures recorded on the inner containers were 60 to 77{degrees}C. One exceptionally high temperature of 196{degrees}C occurred on the PC-1 inner container. Heating 7.1 models of both the DT-18 and PC-1 packages were developed. Models with and without heat generation in the inner containers were developed for each shipping package. The models with heat generation are intended to simulate condensation and convection of hot vapors generated during the heating of the Celotex{trademark} insulating material used in the packages. In general, the analytical models calculate temperatures for the outer containers which agree well with the test data. The HEATING models with and without heat generation bound the inner container test data. These findings are significant in that they lead to the conclusion that heat is transferred to the inner containers through a mechanism other than conduction alone. The high temperature of 196{degrees}C recorded at the PC-1 inner container is within 4{degrees}C of the maximum temperature calculated by the PC-1 HEATING model with heat generation.

  16. Mixed quantum-classical equilibrium in global flux surface hopping

    SciTech Connect

    Sifain, Andrew E.; Wang, Linjun; Prezhdo, Oleg V.

    2015-06-14

    Global flux surface hopping (GFSH) generalizes fewest switches surface hopping (FSSH)—one of the most popular approaches to nonadiabatic molecular dynamics—for processes exhibiting superexchange. We show that GFSH satisfies detailed balance and leads to thermodynamic equilibrium with accuracy similar to FSSH. This feature is particularly important when studying electron-vibrational relaxation and phonon-assisted transport. By studying the dynamics in a three-level quantum system coupled to a classical atom in contact with a classical bath, we demonstrate that both FSSH and GFSH achieve the Boltzmann state populations. Thermal equilibrium is attained significantly faster with GFSH, since it accurately represents the superexchange process. GFSH converges closer to the Boltzmann averages than FSSH and exhibits significantly smaller statistical errors.

  17. Modeling of thermal and chemical non-equilibrium in a laser-induced aluminum plasma by means of a Collisional-Radiative model

    NASA Astrophysics Data System (ADS)

    Morel, V.; Bultel, A.; Chéron, B. G.

    2010-09-01

    A 0D numerical approach including a Collisional-Radiative model is elaborated in the purpose of describing the behavior of the nascent plasma resulting from the interaction between a 4 ns/65 mJ/532 nm Q-switched Nd:YAG laser pulse and an aluminum sample in vacuum. The heavy species considered are Al, Al +, Al 2+ and Al 3+ on their different excited states and free electrons. The translation temperatures of free electrons and heavy species are assumed different ( T e and TA respectively). Numerous elementary processes are accounted for as electron impact induced excitation and ionization, elastic collisions, multiphoton ionization and inverse Bremsstrahlung. Atoms passing from the sample to gas phase are described by using classical vaporization theory so that the surface temperature is arbitrarily limited to values less than the critical point one at 6700 K. The laser flux density considered in the study is therefore moderate with a fluence lower than 7 J cm - 2 . This model puts forward the major influence of multiphoton ionization in the plasma formation, whereas inverse Bremsstrahlung turns out to be quasi negligible. The increase of electron temperature is mainly due to multiphoton ionization and Te does not exceed 10,000 K. The electron induced collisions play an important role during the subsequent phase which corresponds to the relaxation of the excited states toward Boltzmann equilibrium. The electron density reaches its maximum during the laser pulse with a value ≈ 10 22, 10 23 m - 3 depending highly on the sample temperature. The ionization degree is of some percents in our conditions.

  18. A temperature control method for shortening thermal cycling time to achieve rapid polymerase chain reaction (PCR) in a disposable polymer microfluidic device

    NASA Astrophysics Data System (ADS)

    Bu, Minqiang; Perch-Nielsen, Ivan R.; Sørensen, Karen S.; Skov, Julia; Sun, Yi; Duong Bang, Dang; Pedersen, Michael E.; Hansen, Mikkel F.; Wolff, Anders

    2013-07-01

    We present a temperature control method capable of effectively shortening the thermal cycling time of polymerase chain reaction (PCR) in a disposable polymer microfluidic device with an external heater and a temperature sensor. The method employs optimized temperature overshooting and undershooting steps to achieve a rapid ramping between the temperature steps for DNA denaturation, annealing and extension. The temperature dynamics within the microfluidic PCR chamber was characterized and the overshooting and undershooting parameters were optimized using the temperature-dependent fluorescence signal from Rhodamine B. The method was validated with the PCR amplification of mecA gene (162 bp) from methicillin-resistant Staphylococcus aureus bacterium (MRSA), where the time for 30 cycles was reduced from 50 min (without over- and undershooting) to 20 min.

  19. Local quantum thermal susceptibility

    PubMed Central

    De Pasquale, Antonella; Rossini, Davide; Fazio, Rosario; Giovannetti, Vittorio

    2016-01-01

    Thermodynamics relies on the possibility to describe systems composed of a large number of constituents in terms of few macroscopic variables. Its foundations are rooted into the paradigm of statistical mechanics, where thermal properties originate from averaging procedures which smoothen out local details. While undoubtedly successful, elegant and formally correct, this approach carries over an operational problem, namely determining the precision at which such variables are inferred, when technical/practical limitations restrict our capabilities to local probing. Here we introduce the local quantum thermal susceptibility, a quantifier for the best achievable accuracy for temperature estimation via local measurements. Our method relies on basic concepts of quantum estimation theory, providing an operative strategy to address the local thermal response of arbitrary quantum systems at equilibrium. At low temperatures, it highlights the local distinguishability of the ground state from the excited sub-manifolds, thus providing a method to locate quantum phase transitions. PMID:27681458

  20. Pions in and out of equilibrium

    SciTech Connect

    Gavin, S.

    1991-12-01

    Can final state scattering wrestle the secondaries in nucleus-nucleus collisions into a fluid state near local thermal equilibrium What do the pion p{sub T} spectra measured in pp, pA and SPS light ion experiments already tell us about the approach to equilibrium To begin to address these questions, we must face the nonequilibrium nature of hadronic evolution in the late stages of these collisions. I will outline efforts to apply transport theory to the nonequilibrium pion fluid at midrapidity focusing on two phenomena: partial thermalization and pion conservation.

  1. Pions in and out of equilibrium

    SciTech Connect

    Gavin, S.

    1991-12-01

    Can final state scattering wrestle the secondaries in nucleus-nucleus collisions into a fluid state near local thermal equilibrium? What do the pion p{sub T} spectra measured in pp, pA and SPS light ion experiments already tell us about the approach to equilibrium? To begin to address these questions, we must face the nonequilibrium nature of hadronic evolution in the late stages of these collisions. I will outline efforts to apply transport theory to the nonequilibrium pion fluid at midrapidity focusing on two phenomena: partial thermalization and pion conservation.

  2. Thermal Infrared Imaging and Atmospheric Modeling of VHS J125601.92-125723.9 b: Evidence for Moderately Thick Clouds and Equilibrium Carbon Chemistry in a Hierarchical Triple System

    NASA Astrophysics Data System (ADS)

    Rich, Evan A.; Currie, Thayne; Wisniewski, John P.; Hashimoto, Jun; Brandt, Timothy D.; Carson, Joseph C.; Kuzuhara, Masayuki; Uyama, Taichi

    2016-10-01

    We present and analyze Subaru/IRCS L‧ and M‧ images of the nearby M dwarf VHS J125601.92-125723.9 (VHS 1256), which was recently claimed to have an ˜11 M J companion (VHS 1256 b) at ˜102 au separation. Our adaptive optics images partially resolve the central star into a binary, whose components are nearly equal in brightness and separated by 0.″106 ± 0.″001. VHS 1256 b occupies nearly the same near-infrared position in the color-magnitude diagram as HR 8799 bcde and has a comparable L‧ brightness. However, it has a substantially redder H - M‧ color, implying a relatively brighter M‧ flux density than for the planets of HR 8799 and suggesting that non-equilibrium carbon chemistry may be less significant in VHS 1256 b. We successfully match the entire spectral energy distribution (optical through thermal infrared) for VHS 1256 b to atmospheric models assuming chemical equilibrium, models that failed to reproduce HR 8799 b at 5 μm. Our modeling favors slightly thick clouds in the companion's atmosphere, although perhaps not quite as thick as those favored recently for HR 8799 bcde. Combined with the non-detection of lithium in the primary, we estimate that the system is at least 200 Myr old and the masses of the stars comprising the central binary are at least 58 M J each. Moreover, we find that some of the properties of VHS 1256 are inconsistent with the recent suggestion that it is a member of the AB Dor moving group. Given the possible range in distance (12.7 pc versus 17.1 pc), the lower mass limit for VHS 1256 b ranges from 10.5 M J to 26.2 M J . Our detection limits rule out companions more massive than VHS 1256 b exterior to 6-8 au, placing significant limits on and providing some evidence against a second, more massive companion that may have scattered the wide-separation companion to its current location. VHS 1256 is most likely a very low-mass hierarchical triple system and could be the third such system in which all components reside in

  3. Getting Freshman in Equilibrium.

    ERIC Educational Resources Information Center

    Journal of Chemical Education, 1983

    1983-01-01

    Various aspects of chemical equilibrium were discussed in six papers presented at the Seventh Biennial Conference on Chemical Education (Stillwater, Oklahoma 1982). These include student problems in understanding hydrolysis, helping students discover/uncover topics, equilibrium demonstrations, instructional strategies, and flaws to kinetic…

  4. Equilibrium of KSTAR Plasma

    NASA Astrophysics Data System (ADS)

    You, K.-I.; Lee, D.-K.; Lee, S. G.; Bak, J. G.; Hahn, S. H.; Lao, L.; Kstar Team

    2011-10-01

    We have installed the EFIT code on our computing system and made some modification to reconstruct the plasma equilibrium of KSTAR (Korea Superconducting Tokamak Advanced Research). KSTAR PF and TF coil systems use a CICC (Cable-In-Conduit Conductor) type superconductor. The CICC jacket material for most PF and all TF coils is Incoloy 908, which is a magnetic material with relative magnetic permeability greater than 10 in low external field. We newly introduced Diamagnetic Loop and variational Motion Stark Effect signals to equilibrium reconstruction. In this paper, we present some results of equilibrium reconstruction with the EFIT code, assess the effects of newly introduced diagnsotics signal on the equilibrium reconstruction and compare the EFIT results with the various diagnostics data in various plasma conditions including H- and L- modes. In addition, we will show the Incoloy908 effects on the plasma equilibrium.

  5. Thermal fluctuations and phase equilibrium in microemulsions

    NASA Astrophysics Data System (ADS)

    Golubović, Leonardo; Lubensky, T. C.

    1990-04-01

    We construct a simple coarse-grained model and use it to study global phase behavior of ensembles of fluid membranes. This model is an improvement over previous phenomenological models of Talmon and Prager, de Gennes and co-workers, Widom, and more recently of Safran and co-workers. We show here that there is necessarily an entropic contribution, missing in all previous theories, to the coarse-grained free energy whose physical origin is the same as that of Helfrich's entropic repulsion stabilizing lamellar multimembrane phases. The inclusion of this steric entropy in the previous phenomenological studies is essential if they are to be used in the study of periodic phases in microemulsions and analogous surfactant systems. Thus the model enables us to obtain, in a unified way, phase diagrams containing both uniform and periodic phases in microemulsions and in binary systems of nonionic surfactant bilayers in a single solvent. Mean-field theory for this model yields rich phase diagrams containing dilute, random bicontinuous, lamellar, columnar, and an antiferromagnetic phase that may correspond to a droplet crystal or to a ``plumber's nightmare.'' The model depends on two phenomenological parameters related to strengths of steric entropy and softening of membrane rigidity. We discuss the sensitivity of phase diagrams (in particular the existence of the middle-phase microemulsion) to values of these parameters. We find that the existence of a realistic middle phase (with structural length scale much larger than the molecular length scale) crucially depends on the presence of steric entropy. The model reproduces the experimentally observed four-phase equilibria among uniform phases in microemulsions.

  6. Thermal fluctuations and phase equilibrium in microemulsions

    SciTech Connect

    Golubovic, L. Solid State Center, University of California, Los Angeles, Los Angeles, CA ); Lubensky, T.C. )

    1990-04-15

    We construct a simple coarse-grained model and use it to study global phase behavior of ensembles of fluid membranes. This model is an improvement over previous phenomenological models of Talmon and Prager, de Gennes and co-workers, Widom, and more recently of Safran and co-workers. We show here that there is necessarily an entropic contribution, missing in all previous theories, to the coarse-grained free energy whose physical origin is the same as that of Helfrich's entropic repulsion stabilizing lamellar multimembrane phases. The inclusion of this steric entropy in the previous phenomenological studies is essential if they are to be used in the study of periodic phases in microemulsions and analogous surfactant systems. Thus the model enables us to obtain, in a unified way, phase diagrams containing both uniform and periodic phases in microemulsions and in binary systems of nonionic surfactant bilayers in a single solvent. Mean-field theory for this model yields rich phase diagrams containing dilute, random bicontinuous, lamellar, columnar, and an antiferromagnetic phase that may correspond to a droplet crystal or to a plumber's nightmare.'' The model depends on two phenomenological parameters related to strengths of steric entropy and softening of membrane rigidity. We discuss the sensitivity of phase diagrams (in particular the existence of the middle-phase microemulsion) to values of these parameters. We find that the existence of a realistic middle phase (with structural length scale much larger than the molecular length scale) crucially depends on the presence of steric entropy. The model reproduces the experimentally observed four-phase equilibria among uniform phases in microemulsions.

  7. Chemical Principles Revisited: Chemical Equilibrium.

    ERIC Educational Resources Information Center

    Mickey, Charles D.

    1980-01-01

    Describes: (1) Law of Mass Action; (2) equilibrium constant and ideal behavior; (3) general form of the equilibrium constant; (4) forward and reverse reactions; (5) factors influencing equilibrium; (6) Le Chatelier's principle; (7) effects of temperature, changing concentration, and pressure on equilibrium; and (8) catalysts and equilibrium. (JN)

  8. Response reactions: equilibrium coupling.

    PubMed

    Hoffmann, Eufrozina A; Nagypal, Istvan

    2006-06-01

    It is pointed out and illustrated in the present paper that if a homogeneous multiple equilibrium system containing k components and q species is composed of the reactants actually taken and their reactions contain only k + 1 species, then we have a unique representation with (q - k) stoichiometrically independent reactions (SIRs). We define these as coupling reactions. All the other possible combinations with k + 1 species are the coupled reactions that are in equilibrium when the (q - k) SIRs are in equilibrium. The response of the equilibrium state for perturbation is determined by the coupling and coupled equilibria. Depending on the circumstances and the actual thermodynamic data, the effect of coupled equilibria may overtake the effect of the coupling ones, leading to phenomena that are in apparent contradiction with Le Chatelier's principle.

  9. Computing Equilibrium Chemical Compositions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1995-01-01

    Chemical Equilibrium With Transport Properties, 1993 (CET93) computer program provides data on chemical-equilibrium compositions. Aids calculation of thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93/PC is version of CET93 specifically designed to run within 640K memory limit of MS-DOS operating system. CET93/PC written in FORTRAN.

  10. Computing Properties Of Chemical Mixtures At Equilibrium

    NASA Technical Reports Server (NTRS)

    Mcbride, B. J.; Gordon, S.

    1995-01-01

    Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

  11. Teaching Chemical Equilibrium with the Jigsaw Technique

    NASA Astrophysics Data System (ADS)

    Doymus, Kemal

    2008-03-01

    This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students’ understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes was randomly assigned as the non-jigsaw group (control) and other as the jigsaw group (cooperative). Students participating in the jigsaw group were divided into four “home groups” since the topic chemical equilibrium is divided into four subtopics (Modules A, B, C and D). Each of these home groups contained four students. The groups were as follows: (1) Home Group A (HGA), representin g the equilibrium state and quantitative aspects of equilibrium (Module A), (2) Home Group B (HGB), representing the equilibrium constant and relationships involving equilibrium constants (Module B), (3) Home Group C (HGC), representing Altering Equilibrium Conditions: Le Chatelier’s principle (Module C), and (4) Home Group D (HGD), representing calculations with equilibrium constants (Module D). The home groups then broke apart, like pieces of a jigsaw puzzle, and the students moved into jigsaw groups consisting of members from the other home groups who were assigned the same portion of the material. The jigsaw groups were then in charge of teaching their specific subtopic to the rest of the students in their learning group. The main data collection tool was a Chemical Equilibrium Achievement Test (CEAT), which was applied to both the jigsaw and non-jigsaw groups The results indicated that the jigsaw group was more successful than the non-jigsaw group (individual learning method).

  12. Equilibrium structure of ferrofluid aggregates.

    PubMed

    Yoon, Mina; Tománek, David

    2010-11-17

    We study the equilibrium structure of large but finite aggregates of magnetic dipoles, representing a colloidal suspension of magnetite particles in a ferrofluid. With increasing system size, the structural motif evolves from chains and rings to multi-chain and multi-ring assemblies. Very large systems form single- and multi-wall coils, tubes and scrolls. These structural changes result from a competition between various energy terms, which can be approximated analytically within a continuum model. We also study the effect of external parameters such as magnetic field on the relative stability of these structures. Our results may give insight into experimental data obtained during solidification of ferrofluid aggregates at temperatures where thermal fluctuations become negligible in comparison to inter-particle interactions. These data may also help to experimentally control the aggregation of magnetic particles.

  13. Equilibrium structure of ferrofluid aggregates

    SciTech Connect

    Yoon, Mina; Tomanek, David

    2010-01-01

    We study the equilibrium structure of large but finite aggregates of magnetic dipoles, representing a colloidal suspension of magnetite particles in a ferrofluid. With increasing system size, the structural motif evolves from chains and rings to multi-chain and multi-ring assemblies. Very large systems form single- and multi-wall coils, tubes and scrolls. These structural changes result from a competition between various energy terms, which can be approximated analytically within a continuum model. We also study the effect of external parameters such as magnetic field on the relative stability of these structures. Our results may give insight into experimental data obtained during solidification of ferrofluid aggregates at temperatures where thermal fluctuations become negligible in comparison to inter-particle interactions. These data may also help to experimentally control the aggregation of magnetic particles.

  14. Determination of nonaxisymmetric equilibrium

    SciTech Connect

    Elkin, D.

    1980-01-01

    The Princeton Equilibrium Code is modified to determine the equilibrium surfaces for a large aspect ratio toroidal system with helical magnetic fields. The code may easily be made to include any variety of modes. Verification of the code is made by comparison with an analytic solution for l = 3. Previously observed shifting of the magnetic axis with increasing pressure or with a changed externally applied vertical field is obtained. The case l = 0, a bumpy torus, gives convergence only for the lenient convergence tolerance of epsilon/sub b/ = 1.0 x 10-/sup 2/.

  15. Beyond Equilibrium Thermodynamics

    NASA Astrophysics Data System (ADS)

    Öttinger, Hans Christian

    2005-01-01

    Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.

  16. Non-equilibrium quantum heat machines

    NASA Astrophysics Data System (ADS)

    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.

  17. An Updated Equilibrium Machine

    ERIC Educational Resources Information Center

    Schultz, Emeric

    2008-01-01

    A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are…

  18. Aerospace Applications of Non-Equilibrium Plasma

    NASA Technical Reports Server (NTRS)

    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.).

  19. Non-Equilibrium Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Ciccotti, Giovanni; Kapral, Raymond; Sergi, Alessandro

    Statistical mechanics provides a well-established link between microscopic equilibrium states and thermodynamics. If one considers systems out of equilibrium, the link between microscopic dynamical properties and non-equilibrium macroscopic states is more difficult to establish [1,2]. For systems lying near equilibrium, linear response theory provides a route to derive linear macroscopic laws and the microscopic expressions for the transport properties that enter the constitutive relations. If the system is displaced far from equilibrium, no fully general theory exists to treat such systems. By restricting consideration to a class of non-equilibrium states which arise from perturbations (linear or non-linear) of an equilibrium state, methods can be developed to treat non-equilibrium states. Furthermore, non-equilibrium molecular dynamics (NEMD) simulation methods can be devised to provide estimates for the transport properties of these systems.

  20. An Updated Equilibrium Machine

    NASA Astrophysics Data System (ADS)

    Schultz, Emeric

    2008-08-01

    A device that can demonstrate equilibrium, kinetic, and thermodynamic concepts is described. The device consists of a leaf blower attached to a plastic container divided into two chambers by a barrier of variable size and form. Styrofoam balls can be exchanged across the barrier when the leaf blower is turned on and various air pressures are applied. Equilibrium can be approached from different distributions of balls in the container under different conditions. The Le Châtelier principle can be demonstrated. Kinetic concepts can be demonstrated by changing the nature of the barrier, either changing the height or by having various sized holes in the barrier. Thermodynamic concepts can be demonstrated by taping over some or all of the openings and restricting air flow into container on either side of the barrier.

  1. Absolute Equilibrium Entropy

    NASA Technical Reports Server (NTRS)

    Shebalin, John V.

    1997-01-01

    The entropy associated with absolute equilibrium ensemble theories of ideal, homogeneous, fluid and magneto-fluid turbulence is discussed and the three-dimensional fluid case is examined in detail. A sigma-function is defined, whose minimum value with respect to global parameters is the entropy. A comparison is made between the use of global functions sigma and phase functions H (associated with the development of various H-theorems of ideal turbulence). It is shown that the two approaches are complimentary though conceptually different: H-theorems show that an isolated system tends to equilibrium while sigma-functions allow the demonstration that entropy never decreases when two previously isolated systems are combined. This provides a more complete picture of entropy in the statistical mechanics of ideal fluids.

  2. Solids Far from Equilibrium

    NASA Astrophysics Data System (ADS)

    Godrèche, C.

    2011-03-01

    Preface; 1. Shape and growth of crystals P. Nozières; 2. Instabilities of planar solidification fronts B. Caroli, C. Caroli and B. Roulet; 3. An introduction to the kinetics of first-order phase transition J. S. Langer; 4. Dendritic growth and related topics Y. Pomeau and M. Ben Amar; 5. Growth and aggregation far from equilibrium L. M. Sander; 6. Kinetic roughening of growing surfaces J. Krug and H. Spohn; Acknowledgements; References; Index.

  3. Molecular equilibrium with condensation

    NASA Astrophysics Data System (ADS)

    Sharp, C. M.; Huebner, W. F.

    1990-02-01

    Minimization of the Gibbs energy of formation for species of chemical elements and compounds in their gas and condensed phases determines their relative abundances in a mixture in chemical equilibrium. The procedure is more general and more powerful than previous abundance determinations in multiphase astrophysical mixtures. Some results for astrophysical equations of state are presented, and the effects of condensation on opacity are briefly indicated.

  4. Equilibrium Electroconvective Instability

    NASA Astrophysics Data System (ADS)

    Rubinstein, I.; Zaltzman, B.

    2015-03-01

    Since its prediction 15 years ago, hydrodynamic instability in concentration polarization at a charge-selective interface has been attributed to nonequilibrium electro-osmosis related to the extended space charge which develops at the limiting current. This attribution had a double basis. On the one hand, it has been recognized that neither equilibrium electro-osmosis nor bulk electroconvection can yield instability for a perfectly charge-selective solid. On the other hand, it has been shown that nonequilibrium electro-osmosis can. The first theoretical studies in which electro-osmotic instability was predicted and analyzed employed the assumption of perfect charge selectivity for the sake of simplicity and so did the subsequent studies of various time-dependent and nonlinear features of electro-osmotic instability. In this Letter, we show that relaxing the assumption of perfect charge selectivity (tantamount to fixing the electrochemical potential of counterions in the solid) allows for the equilibrium electroconvective instability. In addition, we suggest a simple experimental test for determining the true, either equilibrium or nonequilibrium, origin of instability in concentration polarization.

  5. Structural design using equilibrium programming

    NASA Technical Reports Server (NTRS)

    Scotti, Stephen J.

    1992-01-01

    Multiple nonlinear programming methods are combined in the method of equilibrium programming. Equilibrium programming theory has been appied to problems in operations research, and in the present study it is investigated as a framework to solve structural design problems. Several existing formal methods for structural optimization are shown to actually be equilibrium programming methods. Additionally, the equilibrium programming framework is utilized to develop a new structural design method. Selected computational results are presented to demonstrate the methods.

  6. Radiative equilibrium model of Titan's atmosphere

    NASA Technical Reports Server (NTRS)

    Samuelson, R. E.

    1983-01-01

    The present global radiative equilibrium model for the Saturn satellite Titan is restricted to the two-stream approximation, is vertically homogeneous in its scattering properties, and is spectrally divided into one thermal and two solar channels. Between 13 and 33% of the total incident solar radiation is absorbed at the planetary surface, and the 30-60 ratio of violet to thermal IR absorption cross sections in the stratosphere leads to the large temperature inversion observed there. The spectrally integrated mass absorption coefficient at thermal wavelengths is approximately constant throughout the stratosphere, and approximately linear with pressure in the troposphere, implying the presence of a uniformly mixed aerosol in the stratosphere. There also appear to be two regions of enhanced opacity near 30 and 500 mbar.

  7. Radiative equilibrium model of Titan's atmosphere

    NASA Astrophysics Data System (ADS)

    Samuelson, R. E.

    1983-02-01

    The present global radiative equilibrium model for the Saturn satellite Titan is restricted to the two-stream approximation, is vertically homogeneous in its scattering properties, and is spectrally divided into one thermal and two solar channels. Between 13 and 33% of the total incident solar radiation is absorbed at the planetary surface, and the 30-60 ratio of violet to thermal IR absorption cross sections in the stratosphere leads to the large temperature inversion observed there. The spectrally integrated mass absorption coefficient at thermal wavelengths is approximately constant throughout the stratosphere, and approximately linear with pressure in the troposphere, implying the presence of a uniformly mixed aerosol in the stratosphere. There also appear to be two regions of enhanced opacity near 30 and 500 mbar.

  8. Constructing Bi24O31Cl10/BiOCl heterojunction via a simple thermal annealing route for achieving enhanced photocatalytic activity and selectivity

    PubMed Central

    Liu, Xiaoyan; Su, Yiguo; Zhao, Qihang; Du, Chunfang; Liu, Zhiliang

    2016-01-01

    This work reports on the construction of a Bi24O31Cl10/BiOCl heterojunction via a simple thermal annealing method. The X-ray diffraction (XRD) results indicated that the phase transformation from BiOCl to Bi24O31Cl10 could be realized during the thermal annealing process. The high-resolution transmission electron microscopy (HRTEM) images, X-ray photoelectron spectroscopy (XPS) binding energy shifts, Raman spectra and Fouier transform infrared spectroscopy (FT-IR) spectra confirmed the formation of the Bi24O31Cl10/BiOCl heterojunction. The obtained Bi24O31Cl10/BiOCl photocatalyst showed excellent conversion efficiency and selectivity toward photocatalytic conversion of benzyl alcohol to benzaldehyde under visible light irradiation. The radical scavengers and electron spin resonance (ESR) results suggested that the photogenerated holes were the dominant reactive species responsible for the photocatalytic oxidation of benzyl alcohol and superoxide radicals were not involved in the photocatalytic process. The in-situ generation of Bi24O31Cl10/BiOCl heterojunction may own superior interfacial contact than the two-step synthesized heterojunctions, which promotes the transfer of photogenerated charge carriers and is favorable for excellent photocatalytic activities. PMID:27340032

  9. Constructing Bi24O31Cl10/BiOCl heterojunction via a simple thermal annealing route for achieving enhanced photocatalytic activity and selectivity

    NASA Astrophysics Data System (ADS)

    Liu, Xiaoyan; Su, Yiguo; Zhao, Qihang; Du, Chunfang; Liu, Zhiliang

    2016-06-01

    This work reports on the construction of a Bi24O31Cl10/BiOCl heterojunction via a simple thermal annealing method. The X-ray diffraction (XRD) results indicated that the phase transformation from BiOCl to Bi24O31Cl10 could be realized during the thermal annealing process. The high-resolution transmission electron microscopy (HRTEM) images, X-ray photoelectron spectroscopy (XPS) binding energy shifts, Raman spectra and Fouier transform infrared spectroscopy (FT-IR) spectra confirmed the formation of the Bi24O31Cl10/BiOCl heterojunction. The obtained Bi24O31Cl10/BiOCl photocatalyst showed excellent conversion efficiency and selectivity toward photocatalytic conversion of benzyl alcohol to benzaldehyde under visible light irradiation. The radical scavengers and electron spin resonance (ESR) results suggested that the photogenerated holes were the dominant reactive species responsible for the photocatalytic oxidation of benzyl alcohol and superoxide radicals were not involved in the photocatalytic process. The in-situ generation of Bi24O31Cl10/BiOCl heterojunction may own superior interfacial contact than the two-step synthesized heterojunctions, which promotes the transfer of photogenerated charge carriers and is favorable for excellent photocatalytic activities.

  10. Equilibrium of nematic vesicles

    NASA Astrophysics Data System (ADS)

    Napoli, Gaetano; Vergori, Luigi

    2010-11-01

    A variational scheme is proposed which allows the derivation of a concise and elegant formulation of the equilibrium equations for closed fluid membranes, endowed with a nematic microstructure. The nematic order is described by an in-plane nematic director and a degree of orientation, as customary in the theory of uniaxial nematics. The only constitutive ingredient in this scheme is a free-energy density which depends on the vesicle geometry and order parameters. The stress and the couple stress tensors related to this free-energy density are provided. As an application of the proposed scheme, a certain number of special theories are deduced: soap bubbles, lipid vesicles, chiral and achiral nematic membranes, and nematics on curved substrates.

  11. Statistical physics ""Beyond equilibrium

    SciTech Connect

    Ecke, Robert E

    2009-01-01

    The scientific challenges of the 21st century will increasingly involve competing interactions, geometric frustration, spatial and temporal intrinsic inhomogeneity, nanoscale structures, and interactions spanning many scales. We will focus on a broad class of emerging problems that will require new tools in non-equilibrium statistical physics and that will find application in new material functionality, in predicting complex spatial dynamics, and in understanding novel states of matter. Our work will encompass materials under extreme conditions involving elastic/plastic deformation, competing interactions, intrinsic inhomogeneity, frustration in condensed matter systems, scaling phenomena in disordered materials from glasses to granular matter, quantum chemistry applied to nano-scale materials, soft-matter materials, and spatio-temporal properties of both ordinary and complex fluids.

  12. Exploring Equilibrium Chemistry for Hot Exoplanets

    NASA Astrophysics Data System (ADS)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Challener, Ryan

    2015-11-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Young 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime of 0.1 to 1 bar. These results are compared to a variety of exoplanets (Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an updated thermodynamic library) is validated with the thermochemical model presented in Venot et al. (2012) for HD 209458b and HD 189733b. This same analysis has then been extended to the cooler planet HD 97658b. Spectra are generated from both models’ abundances using the open source code transit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. This work was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  13. Exploring Chemical Equilibrium in Hot Jovians

    NASA Astrophysics Data System (ADS)

    Blumenthal, Sarah; Harrington, Joseph; Mandell, Avi; Hébrard, Eric; Venot, Olivia; Cubillos, Patricio; Blecic, Jasmina; Challener, Ryan

    2016-01-01

    It has been established that equilibrium chemistry is usually achieved deep in the atmosphere of hot Jovians where timescales are short (Line and Yung 2013). Thus, equilibrium chemistry has been used as a starting point (setting initial conditions) for evaluating disequilibrium processes. We explore parameters of setting these initial conditions including departures from solar metallicity, the number of species allowed in a system, the types of species allowed in a system, and different thermodynamic libraries in an attempt to create a standard for evaluating equilibrium chemistry. NASA's open source code Chemical Equilibrium and Applications (CEA) is used to calculate model planet abundances by varying the metallicity, in the pressure regime 0.1 to 1 bar. These results are compared to a variety of exoplanets(Teq between 600 and 2100K) qualitatively by color maps of the dayside with different temperature redistributions. Additionally, CEA (with an up-dated thermodynamic library) is compared with the thermochemical model presented in Venotet al. (2012) for HD 209458b and HD 189733b. This same analysis is then applied to the cooler planet HD 97658b. Spectra are generated and we compare both models' outputs using the open source codetransit (https://github.com/exosports/transit) using the opacities of 15 molecules. We make the updated CEA thermodyanamic library and supporting Python scripts to do the CEA analyses available open source. Thiswork was supported by NASA Planetary Atmospheres grant NNX12AI69G.

  14. Equilibrium Policy Proposals with Abstentions.

    DTIC Science & Technology

    1981-05-01

    AB I I I EQUILIBRIUM POLICY PROPOSALS WITH ABSTENTIONS* by Peter Coughlin** 1. Introduction Spatial analyses of economic policy formation in elections...alternative in S at which there is a local equilibrium when the incumbent must defend the status quo. 5. Applications to Related Spatial Voting Models...York: Holt, Rinehart and Winston. Hestenes, M. [19751, Optimization Theoy, New York: Wiley. Hinich, M. [1977], " Equilibrium in Spatial Voting: The Median

  15. Grinding kinetics and equilibrium states

    NASA Technical Reports Server (NTRS)

    Opoczky, L.; Farnady, F.

    1984-01-01

    The temporary and permanent equilibrium occurring during the initial stage of cement grinding does not indicate the end of comminution, but rather an increased energy consumption during grinding. The constant dynamic equilibrium occurs after a long grinding period indicating the end of comminution for a given particle size. Grinding equilibrium curves can be constructed to show the stages of comminution and agglomeration for certain particle sizes.

  16. Achieving quasi-adiabatic thermal environment to maximize resolution power in very high-pressure liquid chromatography: Theory, models, and experiments.

    PubMed

    Gritti, Fabrice; Gilar, Martin; Jarrell, Joseph A

    2016-04-29

    A cylindrical vacuum chamber (inner diameter 5 cm) housing a narrow-bore 2.1 mm×100 mm column packed with 1.8 μm HSS-T3 fully porous particles was built in order to isolate thermally the chromatographic column from the external air environment. Consistent with statistical physics and the mean free path of air molecules, the experimental results show that natural air convection and conduction are fully eliminated for housing air pressures smaller than 10(-4) Torr. Heat radiation is minimized by wrapping up the column with low-emissivity aluminum-tape (emissivity coefficient ϵ=0.03 vs. 0.28 for polished stainless steel 316). Overall, the heat flux at the column wall is reduced by 96% with respect to standard still-air ovens. From a practical viewpoint, the efficiency of the column run at a flow rate of 0.6 mL/min at a constant 13,000 psi pressure drop (the viscous heat power is around 9 W/m) is improved by up to 35% irrespective of the analyte retention. Models of heat and mass transfer reveal that (1) the amplitude of the radial temperature gradient is significantly reduced from 0.30 to 0.01 K and (2) the observed improvement in resolution power stems from a more uniform distribution of the flow velocity across the column diameter. The eddy dispersion term in the van Deemter equation is reduced by 0.8±0.1 reduced plate height unit, a significant gain in column performance.

  17. Napoleon Is in Equilibrium

    NASA Astrophysics Data System (ADS)

    Phillips, Rob

    2015-03-01

    It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.

  18. Napoleon Is in Equilibrium.

    PubMed

    Phillips, Rob

    2015-03-01

    It has been said that the cell is the test tube of the twenty-first century. If so, the theoretical tools needed to quantitatively and predictively describe what goes on in such test tubes lag sorely behind the stunning experimental advances in biology seen in the decades since the molecular biology revolution began. Perhaps surprisingly, one of the theoretical tools that has been used with great success on problems ranging from how cells communicate with their environment and each other to the nature of the organization of proteins and lipids within the cell membrane is statistical mechanics. A knee-jerk reaction to the use of statistical mechanics in the description of cellular processes is that living organisms are so far from equilibrium that one has no business even thinking about it. But such reactions are probably too hasty given that there are many regimes in which, because of a separation of timescales, for example, such an approach can be a useful first step. In this article, we explore the power of statistical mechanical thinking in the biological setting, with special emphasis on cell signaling and regulation. We show how such models are used to make predictions and describe some recent experiments designed to test them. We also consider the limits of such models based on the relative timescales of the processes of interest.

  19. Natural gas at thermodynamic equilibrium Implications for the origin of natural gas

    PubMed Central

    2009-01-01

    It is broadly accepted that so-called 'thermal' gas is the product of thermal cracking, 'primary' thermal gas from kerogen cracking, and 'secondary' thermal gas from oil cracking. Since thermal cracking of hydrocarbons does not generate products at equilibrium and thermal stress should not bring them to equilibrium over geologic time, we would not expect methane, ethane, and propane to be at equilibrium in subsurface deposits. Here we report compelling evidence of natural gas at thermodynamic equilibrium. Molecular compositions are constrained to equilibrium, and isotopic compositions are also under equilibrium constraints: The functions [(CH4)*(C3H8)] and [(C2H6)2] exhibit a strong nonlinear correlation (R2 = 0.84) in which the quotient Q progresses to K as wet gas progresses to dry gas. There are striking similarities between natural gas and catalytic gas generated from marine shales. A Devonian/Mississippian New Albany shale generates gas with Q converging on K over time as wet gas progresses to dry gas at 200°C. The position that thermal cracking is the primary source of natural gas is no longer tenable. It is challenged by its inability to explain the composition of natural gas, natural gases at thermodynamic equilibrium, and by the existence of a catalytic path to gas that better explains gas compositions. PMID:19531233

  20. Natural gas at thermodynamic equilibrium. Implications for the origin of natural gas.

    PubMed

    Mango, Frank D; Jarvie, Daniel; Herriman, Eleanor

    2009-06-16

    It is broadly accepted that so-called 'thermal' gas is the product of thermal cracking, 'primary' thermal gas from kerogen cracking, and 'secondary' thermal gas from oil cracking. Since thermal cracking of hydrocarbons does not generate products at equilibrium and thermal stress should not bring them to equilibrium over geologic time, we would not expect methane, ethane, and propane to be at equilibrium in subsurface deposits. Here we report compelling evidence of natural gas at thermodynamic equilibrium. Molecular compositions are constrained to equilibrium, [Formula in text] and isotopic compositions are also under equilibrium constraints: [Formula in text].The functions [(CH4)*(C3H8)] and [(C2H6)2] exhibit a strong nonlinear correlation (R2 = 0.84) in which the quotient Q progresses to K as wet gas progresses to dry gas. There are striking similarities between natural gas and catalytic gas generated from marine shales. A Devonian/Mississippian New Albany shale generates gas with Q converging on K over time as wet gas progresses to dry gas at 200 degrees C. The position that thermal cracking is the primary source of natural gas is no longer tenable. It is challenged by its inability to explain the composition of natural gas, natural gases at thermodynamic equilibrium, and by the existence of a catalytic path to gas that better explains gas compositions.

  1. Atomistic simulation of sub-nanosecond non-equilibrium field cooling processes for magnetic data storage applications

    SciTech Connect

    Evans, R. F. L.; Fan, W. J.

    2014-11-10

    Thermally assisted magnetic writing is an important technology utilizing temperature dependent magnetic properties to enable orientation of a magnetic data storage medium. Using an atomistic spin model, we study non-equilibrium field cooled magnetization processes on sub-nanosecond timescales required for device applications. We encapsulate the essential physics of the process in a thermoremanent magnetization curve and show that for fast timescales, heating to the Curie temperature is necessary where the magnetic relaxation time is shortest. Furthermore, we demonstrate the requirement for large magnetic fields to achieve a high thermoremanent magnetization necessary for fast recording or data rates.

  2. Multi-period equilibrium/near-equilibrium in electricity markets based on locational marginal prices

    NASA Astrophysics Data System (ADS)

    Garcia Bertrand, Raquel

    In this dissertation we propose an equilibrium procedure that coordinates the point of view of every market agent resulting in an equilibrium that simultaneously maximizes the independent objective of every market agent and satisfies network constraints. Therefore, the activities of the generating companies, consumers and an independent system operator are modeled: (1) The generating companies seek to maximize profits by specifying hourly step functions of productions and minimum selling prices, and bounds on productions. (2) The goals of the consumers are to maximize their economic utilities by specifying hourly step functions of demands and maximum buying prices, and bounds on demands. (3) The independent system operator then clears the market taking into account consistency conditions as well as capacity and line losses so as to achieve maximum social welfare. Then, we approach this equilibrium problem using complementarity theory in order to have the capability of imposing constraints on dual variables, i.e., on prices, such as minimum profit conditions for the generating units or maximum cost conditions for the consumers. In this way, given the form of the individual optimization problems, the Karush-Kuhn-Tucker conditions for the generating companies, the consumers and the independent system operator are both necessary and sufficient. The simultaneous solution to all these conditions constitutes a mixed linear complementarity problem. We include minimum profit constraints imposed by the units in the market equilibrium model. These constraints are added as additional constraints to the equivalent quadratic programming problem of the mixed linear complementarity problem previously described. For the sake of clarity, the proposed equilibrium or near-equilibrium is first developed for the particular case considering only one time period. Afterwards, we consider an equilibrium or near-equilibrium applied to a multi-period framework. This model embodies binary

  3. Bose-Einstein condensation of quasi-equilibrium magnons at room temperature under pumping.

    PubMed

    Demokritov, S O; Demidov, V E; Dzyapko, O; Melkov, G A; Serga, A A; Hillebrands, B; Slavin, A N

    2006-09-28

    Bose-Einstein condensation is one of the most fascinating phenomena predicted by quantum mechanics. It involves the formation of a collective quantum state composed of identical particles with integer angular momentum (bosons), if the particle density exceeds a critical value. To achieve Bose-Einstein condensation, one can either decrease the temperature or increase the density of bosons. It has been predicted that a quasi-equilibrium system of bosons could undergo Bose-Einstein condensation even at relatively high temperatures, if the flow rate of energy pumped into the system exceeds a critical value. Here we report the observation of Bose-Einstein condensation in a gas of magnons at room temperature. Magnons are the quanta of magnetic excitations in a magnetically ordered ensemble of magnetic moments. In thermal equilibrium, they can be described by Bose-Einstein statistics with zero chemical potential and a temperature-dependent density. In the experiments presented here, we show that by using a technique of microwave pumping it is possible to excite additional magnons and to create a gas of quasi-equilibrium magnons with a non-zero chemical potential. With increasing pumping intensity, the chemical potential reaches the energy of the lowest magnon state, and a Bose condensate of magnons is formed.

  4. Rapid-Equilibrium Enzyme Kinetics

    ERIC Educational Resources Information Center

    Alberty, Robert A.

    2008-01-01

    Rapid-equilibrium rate equations for enzyme-catalyzed reactions are especially useful because if experimental data can be fit by these simpler rate equations, the Michaelis constants can be interpreted as equilibrium constants. However, for some reactions it is necessary to use the more complicated steady-state rate equations. Thermodynamics is…

  5. Equilibrium states for hyperbolic potentials

    NASA Astrophysics Data System (ADS)

    Ramos, Vanessa; Viana, Marcelo

    2017-02-01

    We prove the existence of finitely many ergodic equilibrium states for local homeomorphisms and hyperbolic potentials. We also deal with partially hyperbolic skew-products over non-uniformly expanding maps with uniform contraction on the fibre. For these systems we prove the existence and finiteness of the equilibrium states associated with a class of Hölder continuous potentials.

  6. Thermodynamic efficiency out of equilibrium

    NASA Astrophysics Data System (ADS)

    Sivak, David; Crooks, Gavin

    2011-03-01

    Molecular-scale machines typically operate far from thermodynamic equilibrium, limiting the applicability of equilibrium statistical mechanics to understand their efficiency. Thermodynamic length analysis relates a non-equilibrium property (dissipation) to equilibrium properties (equilibrium fluctuations and their relaxation time). Herein we demonstrate that the thermodynamic length framework follows directly from the assumptions of linear response theory. Uniting these two frameworks provides thermodynamic length analysis a firmer statistical mechanical grounding, and equips linear response theory with a metric structure to facilitate the prediction and discovery of optimal (minimum dissipation) paths in complicated free energy landscapes. To explore the applicability of this theoretical framework, we examine its accuracy for simple bistable systems, parametrized to model single-molecule force-extension experiments. Through analytic derivation of the equilibrium fluctuations and numerical calculation of the dissipation and relaxation time, we verify that thermodynamic length analysis (though derived in a near-equilibrium limit) provides a strikingly good approximation even far from equilibrium, and thus provides a useful framework for understanding molecular motor efficiency.

  7. Hydraulic non-equilibrium during infiltration induced by structural connectivity

    NASA Astrophysics Data System (ADS)

    Schlüter, S.; Vanderborght, J.; Vogel, H.-J.

    2012-04-01

    Water infiltration into heterogeneous, structured soil leads to hydraulic non-equilibrium across the infiltration front. That is the water content and water potential is not in equilibrium according to some static water retention curve. The water content increases more rapidly in more conductive regions followed by a slow relaxation towards an equilibrium state. An extreme case is preferential infiltration into macro-pores. As flow paths adapt to the structural heterogeneity of the subsurface, there is a direct link between structure and non-equilibrium. The aim of our study is to develop an upscaled description of water dynamics which conserves the macroscopic effects of non-equilibrium and which can be linked to structural properties of the material. However, this relationship cannot be rigorously examined without an upscaling approach that conserves non-equilibrium during averaging of state variables. We achieve this with a novel approach, that is based on flux-weighted averaging of hydraulic potential, and compare its performance to existing averaging approaches by means of infiltration simulations. Further, we set up some meaningful indicators of hydraulic non-equilibrium that can be easily compared to morphological characteristics of the infiltration front. These methods provide a sound basis to assess the impact of structural connectivity on hydraulic non-equilibrium. We generate several realizations of two-dimensional random fields originating from three heterogeneity models with distinct differences in connectivity of high-K areas and conduct infiltration simulations with them. Our results indicate, that an increased isotropic, short-range connectivity reduces non-equilibrium, whereas anisotropic, macropore-like structures enforce it. We observed a good agreement between front morphology and upscaled non-equilibrium. Our findings encourage to use flux-weighted potentials for upscaling of state variables during transient conditions. We demonstrate, that

  8. Hydraulic non-equilibrium during infiltration induced by structural connectivity

    NASA Astrophysics Data System (ADS)

    Schlüter, S.; Vogel, H.

    2011-12-01

    Water infiltration into heterogeneous, structured soil leads to hydraulic non-equilibrium across the infiltration front. That is the water content and water potential is not in equilibrium according to some static water retention curve. The water content increases more rapidly in more conductive regions followed by a slow relaxation towards an equilibrium state. An extreme case is preferential infiltration into macro-pores. As flowpaths adapt to the structural heterogeneity of the subsurface, there is a direct link between structure and non-equilibrium. The aim of our study is to develop an upscaled description of water dynamics which conserves the macroscopic effects of non-equilibrium and which can be linked to structural properties of the material. However, this relationship cannot be rigorously examined without an upscaling approach that conserves non-equilibrium during averaging of state variables. We achieve this with a novel approach, that is based on flux-weighted averaging of hydraulic potential, and compare its performance to existing averaging approaches by means of infiltration simulations. Further, we set up some meaningful indicators of hydraulic non-equilibrium that can be easily compared to morphological characteristics of the infiltration front. These methods provide a sound basis to assess the impact of structural connectivity on hydraulic non-equilibrium. We generate several realizations of two-dimensional random fields originating from three heterogeneity models with distinct differences in connectivity of high-K areas and conduct infiltration simulations with them. Our results indicate, that an increased isotropic, short-range connectivity reduces non-equilibrium, whereas anisotropic, macropore-like structures enforce it. We observed a good agreement between front morphology and upscaled non-equilibrium. Our findings encourage to use flux-weighted potentials for upscaling of state variables during transient conditions. We demonstrate, that this

  9. Equilibrium Shape of Colloidal Crystals.

    PubMed

    Sehgal, Ray M; Maroudas, Dimitrios

    2015-10-27

    Assembling colloidal particles into highly ordered configurations, such as photonic crystals, has significant potential for enabling a broad range of new technologies. Facilitating the nucleation of colloidal crystals and developing successful crystal growth strategies require a fundamental understanding of the equilibrium structure and morphology of small colloidal assemblies. Here, we report the results of a novel computational approach to determine the equilibrium shape of assemblies of colloidal particles that interact via an experimentally validated pair potential. While the well-known Wulff construction can accurately capture the equilibrium shape of large colloidal assemblies, containing O(10(4)) or more particles, determining the equilibrium shape of small colloidal assemblies of O(10) particles requires a generalized Wulff construction technique which we have developed for a proper description of equilibrium structure and morphology of small crystals. We identify and characterize fully several "magic" clusters which are significantly more stable than other similarly sized clusters.

  10. A numerical study of non-equilibrium flows with different vibrational relaxation models

    NASA Astrophysics Data System (ADS)

    Petrov, N. V.; Kirilovskiy, S. V.; Poplavskaya, T. V.; Shoev, G. V.

    2016-07-01

    Comparative analysis of a widely used Landau-Teller formula for small deviations from thermal equilibrium and its generalized form, derived from the kinetic theory of gaseous, for an arbitrary deviation from the thermal equilibrium is performed by numerical simulation. Thermally non-equilibrium flows of carbon dioxide near a sharp-edged plate, pure nitrogen flows between two symmetrically located wedges, and the N2/N mixture flow with vibrational relaxation and dissociation over a cone have been considered. A comparison has been performed with the available experimental data.

  11. Quantifying Non-Equilibrium in Hypersonic Flows Using Entropy Generation

    DTIC Science & Technology

    2007-03-01

    equilibrium as evidenced by thicker shocks in the DSMC solution. To extend the useful range of the continuum constitutive relations, the Lennard - Jones model...is offered as an alternative to Sutherland?s Law for calculating viscosity and thermal conductivity. The two are compared, and parameters offering a good fit for these flows are suggested for the Lennard - Jones model.

  12. Spacecraft Sterilization Using Non-Equilibrium Atmospheric Pressure Plasma

    NASA Technical Reports Server (NTRS)

    Cooper, Moogega; Vaze, Nachiket; Anderson, Shawn; Fridman, Gregory; Vasilets, Victor N.; Gutsol, Alexander; Tsapin, Alexander; Fridman, Alexander

    2007-01-01

    As a solution to chemically and thermally destructive sterilization methods currently used for spacecraft, non-equilibrium atmospheric pressure plasmas are used to treat surfaces inoculated with Bacillus subtilis and Deinococcus radiodurans. Evidence of significant morphological changes and reduction in viability due to plasma exposure will be presented, including a 4-log reduction of B. subtilis after 2 minutes of dielectric barrier discharge treatment.

  13. Supersonic Jet Mixing with Vibrational Non-Equilibrium

    NASA Astrophysics Data System (ADS)

    Reising, Heath H.; Kc, Utsav; Varghese, Philip L.; Clemens, Noel T.

    2013-11-01

    A new study has been initiated to study the effect of vibrational non-equilibrium on turbulent mixing and combustion. This work is relevant to high-speed, high-temperature environments, such as scramjet combustors, where shocks and mixing can lead to high degrees of vibrational non-equilibrium. In this experimental study, a new facility has been developed that consists of a perfectly-expanded axisymmetric Mach 1.5 turbulent air jet issuing into an electrically heated co-flow of air for precise control of the temperature and thus vibrationally-active population. This hot flow can be brought into non-equilibrium when the co-flow fluid is rapidly mixed with the colder supersonic jet fluid. Effects of the non-equilibrium can be isolated by replacing the nitrogen in the flow with argon. The degree of non-equilibrium in the jet shear layers is quantified by using high-spectral resolution time-averaged spontaneous Raman scattering centered on the Stokes-shifted Q branch line of N2 at 607 nm. In this first phase of the study, the effect of non-equilibrium on the mixing field will be investigated, but future work will focus on H2-air combustion. Planar Rayleigh thermometry is utilized to investigate the effects of vibrational non-equilibrium on the turbulent structures and thermal dissipation field. This work was funded by the Air Force Office of Scientific Research under BRI grant FA9550-12-0460.

  14. Thermal low spin-high spin equilibrium of Fe(II) in thiospinels CuFe{sub 0.5}(Sn{sub (1-x)}Ti{sub x}){sub 1.5}S{sub 4} (0{<=}x{<=}1)

    SciTech Connect

    Womes, M.; Reibel, C.; Mari, A.; Zitoun, D.

    2011-04-15

    A series of spinel compounds with composition CuFe{sub 0.5}(Sn{sub (1-x)}Ti{sub x}){sub 1.5}S{sub 4} (0{<=}x{<=}1) is analysed by X-ray diffraction, measurements of magnetic susceptibilities and {sup 57}Fe Moessbauer spectroscopy. All samples show a temperature-dependent equilibrium between an electronic low spin 3d(t{sub 2g}){sup 6}(e{sub g}){sup 0} and a high spin 3d(t{sub 2g}){sup 4}(e{sub g}){sup 2} state of the Fe(II) ions. The spin crossover is of the continuous type and extends over several hundred degrees in all samples. The Sn/Ti ratio influences the thermal equilibrium between the two spin states. Substitution of Sn(IV) by the smaller Ti(IV) ions leads to a more compact crystal lattice, which, in contrast to many metal-organic Fe(II) complexes, does not stabilise the low spin state, but increases the residual high spin fraction for T{yields}0 K. The role played by antiferromagnetic spin coupling in the stabilisation of the high spin state is discussed. The results are compared with model calculations treating the effect of magnetic interactions on spin state equilibria. -- Graphical Abstract: Comparison of fractions of high spin Fe(II) from Moessbauer spectra (circles) with plots of {chi}{sub m}T (dots) versus T. Discrepancies between both methods indicate anti-ferromagnetic spin coupling. Display Omitted Research highlights: {yields} Many Fe(II) complexes show thermally induced high spin-low spin crossover. {yields} Spin crossover in spinel compounds is extremely scarce. {yields} Usually, lattice contraction favours the low spin state in Fe(II) complexes. {yields} In these spinels, lattice contraction favours the high spin state. {yields} The stabilisation of the high spin state is explained by spin-spin interactions.

  15. Non-equilibrium supramolecular polymerization.

    PubMed

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

    2017-03-28

    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.

  16. Effect of temperature variations on equilibrium distances in levitating parallel dielectric plates interacting through Casimir forces

    NASA Astrophysics Data System (ADS)

    Esteso, Victoria; Carretero-Palacios, Sol; Míguez, Hernán

    2016-04-01

    We study at thermal equilibrium the effect of temperature deviations around room temperature on the equilibrium distance (deq) at which thin films made of Teflon, silica, or polystyrene immersed in glycerol levitate over a silicon substrate due to the balance of Casimir, gravity, and buoyancy forces. We find that the equilibrium nature (stable or unstable) of deq is preserved under temperature changes, and provide simple rules to predict whether the new equilibrium position will occur closer to or further from the substrate at the new temperature. These rules depend on the static permittivities of all materials comprised in the system ( ɛ0 ( m ) ) and the equilibrium nature of deq. Our designed dielectric configuration is excellent for experimental observation of thermal effects on the Casimir force indirectly detected through the tunable equilibrium distances (with slab thickness and material properties) in levitation mode.

  17. Helical axis stellarator equilibrium model

    SciTech Connect

    Koniges, A.E.; Johnson, J.L.

    1985-02-01

    An asymptotic model is developed to study MHD equilibria in toroidal systems with a helical magnetic axis. Using a characteristic coordinate system based on the vacuum field lines, the equilibrium problem is reduced to a two-dimensional generalized partial differential equation of the Grad-Shafranov type. A stellarator-expansion free-boundary equilibrium code is modified to solve the helical-axis equations. The expansion model is used to predict the equilibrium properties of Asperators NP-3 and NP-4. Numerically determined flux surfaces, magnetic well, transform, and shear are presented. The equilibria show a toroidal Shafranov shift.

  18. Interregional equilibrium with heterogeneous labor.

    PubMed

    Michel, P; Perrot, A; Thisse J-f

    1996-02-01

    "The impact of labor migration on interregional equilibrium is studied when workers are heterogeneous in productivity and regional mobility. The skilled respond to market disequilibrium by moving into the most attractive region. The unskilled are immobile in the short-run and move with the skilled in the long-run. Both regions have a neoclassical production function affected by an externality depending on the number of skilled. Workers move according to the utility differential when regional amenities vary with population or according to the wage differential. The equilibrium pattern depends on the unskilled's mobility and on migration incentives. Typically, regional imbalance characterizes the equilibrium which is often suboptimal."

  19. Equilibrium field coil concepts for INTOR

    SciTech Connect

    Strickler, D.J.; Peng, Y.K.M.; Brown, T.G.

    1981-08-01

    Methods are presented for reducing ampere-turn requirements in the EF coil system. It is shown that coil currents in an EF coil system external to the toroidal field coils can be substantially reduced by relaxing the triangularity of a D-shaped plasma. Further reductions are realized through a hybrid EF coil system using both internal and external coils. Equilibrium field coils for a poloidally asymmetric, single-null INTOR configuration are presented. It is shown that the shape of field lines in the plasma scrapeoff region and divertor channel improves as triangularity is reduced, but it does so at the possible expense of achievable stable beta values.

  20. PROCEEDINGS OF RIKEN/BNL RESEARCH CENTER WORKSHOP, EQUILIBRIUM AND NON-EQUILIBRIM ASPECTS OF HOT, DENSE QCD, VOLUME 28.

    SciTech Connect

    De Vega, H.J.; Boyanovsky, D.

    2000-07-17

    The Relativistic Heavy Ion Collider (RHIC) at Brookhaven, beginning operation this year, and the Large Hadron Collider (LHC) at CERN, beginning operation {approximately}2005, will provide an unprecedented range of energies and luminosities that will allow us to probe the Gluon-Quark plasma. At RHIC and LHC, at central rapidity typical estimates of energy densities and temperatures are e * 1-10 GeV/fm3 and T0 * 300 - 900 MeV. Such energies are well above current estimates for the GQ plasma. Initially, this hot, dense plasma is far from local thermal equilibrium, making the theoretical study of transport phenomena, kinetic and chemical equilibration in dense and hot plasmas, and related issues a matter of fundamental importance. During the last few years a consistent framework to study collective effects in the Gluon-Quark plasma, and a microscopic description of transport in terms of the hard thermal (and dense) loops resummation program has emerged. This approach has the potential of providing a microscopic formulation of transport, in the regime of temperatures and densities to be achieved at RHIC and LHC. A parallel development over the last few years has provided a consistent formulation of non-equilibrium quantum field theory that provides a real-time description of phenomena out of equilibrium. Novel techniques including non-perturbative approaches and the dynamical renormalization group techniques lead to new insights into transport and relaxation. A deeper understanding of collective.excitations and transport phenomena in the GQ plasma could lead to recognize novel potential experimental signatures. New insights into small-c physics reveals a striking similarity between small-c and hard thermal loops, and novel real-time numerical simulations have recently studied the parton distributions and their thermalizations in the initial stages of a heavy ion collision.

  1. PROCEEDINGS OF RIKEN/BNL RESEARCH CENTER WORKSHOP, EQUILIBRIUM AND NON-EQUILIBRIM ASPECTTS OF HOT, DENSE QCD, VOLUME 28.

    SciTech Connect

    DE VEGA,H.J.; BOYANOVSKY,D.

    2000-07-17

    The Relativistic Heavy Ion Collider (RHIC) at Brookhaven, beginning operation this year, and the Large Hadron Collider (LHC) at CERN, beginning operation {approximately}2005, will provide an unprecedented range of energies and luminosities that will allow us to probe the Gluon-Quark plasma. At RHIC and LHC, at central rapidity typical estimates of energy densities and temperatures are e * 1-10 GeV/fm3 and T0 * 300 - 900 MeV. Such energies are well above current estimates for the GQ plasma. Initially, this hot, dense plasma is far from local thermal equilibrium, making the theoretical study of transport phenomena, kinetic and chemical equilibration in dense and hot plasmas, and related issues a matter of fundamental importance. During the last few years a consistent framework to study collective effects in the Gluon-Quark plasma, and a microscopic description of transport in terms of the hard thermal (and dense) loops resummation program has emerged. This approach has the potential of providing a microscopic formulation of transport, in the regime of temperatures and densities to be achieved at RHIC and LHC. A parallel development over the last few years has provided a consistent formulation of non-equilibrium quantum field theory that provides a real-time description of phenomena out of equilibrium. Novel techniques including non-perturbative approaches and the dynamical renormalization group techniques lead to new insights into transport and relaxation. A deeper understanding of collective.excitations and transport phenomena in the GQ plasma could lead to recognize novel potential experimental signatures. New insights into small-c physics reveals a striking similarity between small-c and hard thermal loops, and novel real-time numerical simulations have recently studied the parton distributions and their thermalizations in the initial stages of a heavy ion collision.

  2. Equilibrium Constants You Can Smell.

    ERIC Educational Resources Information Center

    Anderson, Michael; Buckley, Amy

    1996-01-01

    Presents a simple experiment involving the sense of smell that students can accomplish during a lecture. Illustrates the important concepts of equilibrium along with the acid/base properties of various ions. (JRH)

  3. Equilibrium and Orientation in Cephalopods.

    ERIC Educational Resources Information Center

    Budelmann, Bernd-Ulrich

    1980-01-01

    Describes the structure of the equilibrium receptor system in cephalopods, comparing it to the vertebrate counterpart--the vestibular system. Relates the evolution of this complex system to the competition of cephalopods with fishes. (CS)

  4. Simulations for Teaching Chemical Equilibrium

    NASA Astrophysics Data System (ADS)

    Huddle, Penelope A.; White, Margaret Dawn; Rogers, Fiona

    2000-07-01

    This paper outlines a systematic approach to teaching chemical equilibrium using simulation experiments that address most known alternate conceptions in the topic. Graphs drawn using the data from the simulations are identical to those obtained using real experimental data for reactions that go to equilibrium. This allows easy mapping of the analogy to the target. The requirements for the simulations are simple and inexpensive, making them accessible to even the poorest schools. The simulations can be adapted for all levels, from pupils who are first encountering equilibrium through students in tertiary education to qualified teachers who have experienced difficulty in teaching the topic. The simulations were piloted on four very different audiences. Minor modifications were then made before the Equilibrium Games as reported in this paper were tested on three groups of subjects: a Grade 12 class, college students, and university Chemistry I students. Marked improvements in understanding of the concept were shown in two of the three sets of subjects.

  5. Edge equilibrium code for tokamaks

    SciTech Connect

    Li, Xujing; Drozdov, Vladimir V.

    2014-01-15

    The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids.

  6. A search for equilibrium states

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1982-01-01

    An efficient search algorithm is described for the location of equilibrium states in a search set of states which differ from one another only by the choice of pure phases. The algorithm has three important characteristics: (1) it ignores states which have little prospect for being an improved approximation to the true equilibrium state; (2) it avoids states which lead to singular iteration equations; (3) it furnishes a search history which can provide clues to alternative search paths.

  7. Thermalization of Bipartite Bose-Hubbard Models.

    PubMed

    Khripkov, Christine; Cohen, Doron; Vardi, Amichay

    2016-05-19

    We study the time evolution of a bipartite Bose-Hubbard model prepared far from equilibrium. When the classical dynamics is chaotic, we observe ergodization of the number distribution and a constant increase of the entanglement entropy between the constituent subsystems until it saturates to thermal equilibrium values. No thermalization is obtained when the system is launched in quasi-integrable phase space regions.

  8. Relevance of equilibrium in multifragmentation

    SciTech Connect

    Furuta, Takuya; Ono, Akira

    2009-01-15

    The relevance of equilibrium in a multifragmentation reaction of very central {sup 40}Ca + {sup 40}Ca collisions at 35 MeV/nucleon is investigated by using simulations of antisymmetrized molecular dynamics (AMD). Two types of ensembles are compared. One is the reaction ensemble of the states at each reaction time t in collision events simulated by AMD, and the other is the equilibrium ensemble prepared by solving the AMD equation of motion for a many-nucleon system confined in a container for a long time. The comparison of the ensembles is performed for the fragment charge distribution and the excitation energies. Our calculations show that there exists an equilibrium ensemble that well reproduces the reaction ensemble at each reaction time t for the investigated period 80{<=}t{<=}300 fm/c. However, there are some other observables that show discrepancies between the reaction and equilibrium ensembles. These may be interpreted as dynamical effects in the reaction. The usual static equilibrium at each instant is not realized since any equilibrium ensemble with the same volume as that of the reaction system cannot reproduce the fragment observables.

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

    PubMed

    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

  10. Electron-positron pair equilibrium in strongly magnetized plasmas

    SciTech Connect

    Harding, A.K.

    1984-11-01

    Steady states of thermal electron-positron pair plasmas at mildly relativistic temperatures and in strong magnetic fields are investigated. The pair density in steady-state equilibrium, where pair production balances annihilation, is found as a function of temperature, magnetic field strength and source size, by a numerical calculation which includes pair production attenuation and Compton scattering of the photons. It is found that there is a maximum pair density for each value of temperature and field strength, and also a source size above which optically thin equilibrium states do not exist. (ESA)

  11. Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics.

    PubMed

    Bouzid, Assil; Zaoui, Hayat; Luca Palla, Pier; Ori, Guido; Boero, Mauro; Massobrio, Carlo; Cleri, Fabrizio; Lampin, Evelyne

    2017-03-29

    A transient thermal regime is achieved in glassy GeTe4 by first-principles molecular dynamics following the recently proposed "approach-to-equilibrium" methodology. The temporal and spatial evolution of the temperature do comply with the time-dependent solution of the heat equation. We demonstrate that the time scales required to create the hot and the cold parts of the system and observe the resulting approach to equilibrium are accessible to first-principles molecular dynamics. Such a strategy provides the thermal conductivity from the characteristic decay time. We rationalize in detail the impact on the thermal conductivity of the initial temperature difference, the equilibration duration, and the main simulation features.

  12. Spectroscopy of equilibrium and nonequilibrium charge transfer in semiconductor quantum structures

    NASA Astrophysics Data System (ADS)

    Rössler, C.; Burkhard, S.; Krähenmann, T.; Röösli, M.; Märki, P.; Basset, J.; Ihn, T.; Ensslin, K.; Reichl, C.; Wegscheider, W.

    2014-08-01

    We investigate equilibrium and nonequilibrium charge-transfer processes by performing high-resolution transport spectroscopy. Using electrostatically defined quantum dots for energy-selective emission and detection, we achieved very high spectral resolution and a high degree of tunability of relevant experimental parameters. Most importantly, we observe that the spectral width of elastically transferred electrons can be substantially smaller than the linewidth of a thermally broadened Coulomb peak. This finding indicates that the charge-transfer process is fast compared to the electron-phonon interaction time. By drawing an analogy to double quantum dots, we argue that the spectral width of the elastic resonance is determined by the lifetime broadening hΓ of the emitter and detector states. Good agreement with the model is found also in an experiment in which the charge transfer is in the regime hΓ≫kBT. By performing spectroscopy below the Fermi energy, we furthermore observe elastic and inelastic transfer of holes.

  13. Fluctuations in Hertz chains at equilibrium

    NASA Astrophysics Data System (ADS)

    Przedborski, Michelle; Sen, Surajit; Harroun, Thad A.

    2017-03-01

    We examine the long-term behavior of nonintegrable, energy-conserved, one-dimensional systems of macroscopic grains interacting via a contact-only generalized Hertz potential and held between stationary walls. Such systems can be set up to have no phononic background excitation and represent examples of a sonic vacuum. Existing dynamical studies showed the absence of energy equipartitioning in such systems, hence their long-term dynamics was described as quasiequilibrium. Here we show that these systems do in fact reach thermal equilibrium at sufficiently long times, as indicated by the calculated heat capacity. As a by-product, we show how fluctuations of system quantities, and thus the distribution functions, are influenced by the Hertz potential. In particular, the variance of the system's kinetic energy probability density function is reduced by a factor related to the contact potential.

  14. The equilibrium size distribution of rouleaux.

    PubMed Central

    Perelson, A S; Wiegel, F W

    1982-01-01

    Rouleaux are formed by the aggregation of red blood cells in the presence of macromolecules that bridge the membranes of adherent erythrocytes. We compute the size and degree of branching of rouleaux for macroscopic systems in thermal equilibrium in the absence of fluid flow. Using techniques from statistical mechanics, analytical expressions are derived for (a) the average number of rouleaux consisting of n cells and having m branch points; (b) the average number of cells per rouleau; (c) the average number of branch points per rouleau; and (d) the number of rouleaux with n cells, n = 1, 2, ..., in a system containing a total of N cells. We also present the results of numerical evaluations to establish the validity of asymptotic expressions that simplify our formal analytic results. Images FIGURE 1 PMID:7059653

  15. Adiabatic evolution of plasma equilibrium

    PubMed Central

    Grad, H.; Hu, P. N.; Stevens, D. C.

    1975-01-01

    A new theory of plasma equilibrium is introduced in which adiabatic constraints are specified. This leads to a mathematically nonstandard structure, as compared to the usual equilibrium theory, in which prescription of pressure and current profiles leads to an elliptic partial differential equation. Topologically complex configurations require further generalization of the concept of adiabaticity to allow irreversible mixing of plasma and magnetic flux among islands. Matching conditions across a boundary layer at the separatrix are obtained from appropriate conservation laws. Applications are made to configurations with planned islands (as in Doublet) and accidental islands (as in Tokamaks). Two-dimensional, axially symmetric, helically symmetric, and closed line equilibria are included. PMID:16578729

  16. Equilibrium in a Production Economy

    SciTech Connect

    Chiarolla, Maria B.; Haussmann, Ulrich G.

    2011-06-15

    Consider a closed production-consumption economy with multiple agents and multiple resources. The resources are used to produce the consumption good. The agents derive utility from holding resources as well as consuming the good produced. They aim to maximize their utility while the manager of the production facility aims to maximize profits. With the aid of a representative agent (who has a multivariable utility function) it is shown that an Arrow-Debreu equilibrium exists. In so doing we establish technical results that will be used to solve the stochastic dynamic problem (a case with infinite dimensional commodity space so the General Equilibrium Theory does not apply) elsewhere.

  17. Detection of Non-Equilibrium Fluctuations in Active Gels

    NASA Astrophysics Data System (ADS)

    Bacanu, Alexandru; Broedersz, Chase; Gladrow, Jannes; Mackintosh, Fred; Schmidt, Christoph; Fakhri, Nikta

    Active force generation at the molecular scale in cells can result in stochastic non-equilibrium dynamics on mesoscpopic scales. Molecular motors such as myosin can drive steady-state stress fluctuations in cytoskeletal networks. Here, we present a non-invasive technique to probe non-equilibrium fluctuations in an active gel using single-walled carbon nanotubes (SWNTs). SWNTs are semiflexible polymers with intrinsic fluorescence in the near infrared. Both thermal and active motor-induced forces in the network induce transverse fluctuations of SWNTs. We demonstrate that active driven shape fluctuations of the SWNTs exhibit dynamics that reflect the non-equilibrium activity, in particular the emergence of correlations between the bending modes. We discuss the observation of breaking of detailed balance in this configurational space of the SWNT probes. Supported by National Defense Science and Engineering Graduate Student Fellowship (NDSEG).

  18. Chemical Principles Revisited: Using the Equilibrium Concept.

    ERIC Educational Resources Information Center

    Mickey, Charles D., Ed.

    1981-01-01

    Discusses the concept of equilibrium in chemical systems, particularly in relation to predicting the position of equilibrium, predicting spontaneity of a reaction, quantitative applications of the equilibrium constant, heterogeneous equilibrium, determination of the solubility product constant, common-ion effect, and dissolution of precipitates.…

  19. Equilibrium Principles: A Game for Students

    NASA Astrophysics Data System (ADS)

    Edmonson, Lionel J., Jr.; Lewis, Don L.

    1999-04-01

    The laboratory exercise is a game using marked sugar cubes as dice. The game emphasizes the dynamic character of equilibrium. Forward and reverse rate-constant values are used to calculate an equilibrium constant and to predict equilibrium populations. Predicted equilibrium populations are compared with experimental results.

  20. Non-Equilibrium Effects on Hypersonic Turbulent Boundary Layers

    NASA Astrophysics Data System (ADS)

    Kim, Pilbum

    Understanding non-equilibrium effects of hypersonic turbulent boundary layers is essential in order to build cost efficient and reliable hypersonic vehicles. It is well known that non-equilibrium effects on the boundary layers are notable, but our understanding of the effects are limited. The overall goal of this study is to improve the understanding of non-equilibrium effects on hypersonic turbulent boundary layers. A new code has been developed for direct numerical simulations of spatially developing hypersonic turbulent boundary layers over a flat plate with finite-rate reactions. A fifth-order hybrid weighted essentially non-oscillatory scheme with a low dissipation finite-difference scheme is utilized in order to capture stiff gradients while resolving small motions in turbulent boundary layers. The code has been validated by qualitative and quantitative comparisons of two different simulations of a non-equilibrium flow and a spatially developing turbulent boundary layer. With the validated code, direct numerical simulations of four different hypersonic turbulent boundary layers, perfect gas and non-equilibrium flows of pure oxygen and nitrogen, have been performed. In order to rule out uncertainties in comparisons, the same inlet conditions are imposed for each species, and then mean and turbulence statistics as well as near-wall turbulence structures are compared at a downstream location. Based on those comparisons, it is shown that there is no direct energy exchanges between internal and turbulent kinetic energies due to thermal and chemical non-equilibrium processes in the flow field. Instead, these non-equilibria affect turbulent boundary layers by changing the temperature without changing the main characteristics of near-wall turbulence structures. This change in the temperature induces the changes in the density and viscosity and the mean flow fields are then adjusted to satisfy the conservation laws. The perturbation fields are modified according to

  1. Magnetospheric equilibrium with anisotropic pressure

    SciTech Connect

    Cheng, C.Z.

    1991-07-01

    Self-consistent magnetospheric equilibrium with anisotropic pressure is obtained by employing an iterative metric method for solving the inverse equilibrium equation in an optimal flux coordinate system. A method of determining plasma parallel and perpendicular pressures from either analytic particle distribution or particle distribution measured along the satellite's path is presented. The numerical results of axisymmetric magnetospheric equilibrium including the effects of finite beta, pressure anisotropy, and boundary conditions are presented for a bi-Maxwellian particle distribution. For the isotropic pressure cases, the finite beta effect produces an outward expansion of the constant magnetic flux surfaces in relation to the dipole field lines, and along the magnetic field the toroidal ring current is maximum at the magnetic equator. The effect of pressure anisotropy is found to further expand the flux surfaces outward. Along the magnetic field lines the westward ring current can be peak away from the equator due to an eastward current contribution resulting from pressure anisotropy. As pressure anisotropy increases, the peak westward current can become more singular. The outer boundary flux surface has significant effect on the magnetospheric equilibrium. For the outer flux boundary resembling dayside compressed flux surface due to solar wind pressure, the deformation of the magnetic field can be quite different from that for the outer flux boundary resembling the tail-like surface. 23 refs., 17 figs.

  2. Thermodynamic theory of equilibrium fluctuations

    SciTech Connect

    Mishin, Y.

    2015-12-15

    The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.

  3. Battery Thermal Characterization

    SciTech Connect

    Keyser, Matthew; Saxon, Aron; Powell, Mitchell; Shi, Ying

    2016-06-07

    This poster shows the progress in battery thermal characterization over the previous year. NREL collaborated with U.S. DRIVE and USABC battery developers to obtain thermal properties of their batteries, obtained heat capacity and heat generation of cells under various power profiles, obtained thermal images of the cells under various drive cycles, and used the measured results to validate thermal models. Thermal properties are used for the thermal analysis and design of improved battery thermal management systems to support achieve life and performance targets.

  4. Equilibrium of nucleotides in the dogfish brain.

    PubMed

    Andjus, Radoslav K; Dzakula, Zeljko; Marjanović, Marina

    2005-06-01

    In the past, the results of experiments on the time course of concentration changes of adenylates, phosphocreatine, and free creatine in muscle appeared compatible with an equilibrium hypothesis involving only the Lohmann and the myokinase reactions. Other reports, however, denied the applicability of the equilibrium hypothesis to the same tissue. The controversy may have been due to the high probability of experimental errors since time sampling was performed at second intervals. We presently test the hypothesis in the living brain of the small-spotted dogfish shark (Scyliorhinus canicula), an animal-model allowing for timing of sampling at hourly intervals. According to our earlier work, the dogfish shark can easily be resuscitated 8.2 h on average after being brought into the state of "suspended animation" at 0 degree C body temperature and exposed, out of water, to an atmosphere of nitrogen gas. To obtain a complete mathematical description of the time course of concentration changes of brain adenylates and phosphocreatine, we devised a kinetic model based on principles of classical multicompartmental analysis and biochemical kinetics. Model testing of the equilibrium hypothesis resulted in very good agreement between the hypothesis and our experimental data. Time-course modeling, achieved by simultaneously fitting the time series of our data by the set of four equations constituting our model resulted in an excellent agreement between data points and the computed curves. Finally, modeling of the depletion profiles of brain energy status concerning three of its descriptors (energy charge, total adenylate, and primary energy stores expressed in high-energy phosphate equivalents) allowed for a correlation to be established between energy status and the "revival time," a valuable physiological descriptor of tolerance.

  5. Dynamic relaxation of a levitated nanoparticle from a non-equilibrium steady state.

    PubMed

    Gieseler, Jan; Quidant, Romain; Dellago, Christoph; Novotny, Lukas

    2014-05-01

    Fluctuation theorems are a generalization of thermodynamics on small scales and provide the tools to characterize the fluctuations of thermodynamic quantities in non-equilibrium nanoscale systems. They are particularly important for understanding irreversibility and the second law in fundamental chemical and biological processes that are actively driven, thus operating far from thermal equilibrium. Here, we apply the framework of fluctuation theorems to investigate the important case of a system relaxing from a non-equilibrium state towards equilibrium. Using a vacuum-trapped nanoparticle, we demonstrate experimentally the validity of a fluctuation theorem for the relative entropy change occurring during relaxation from a non-equilibrium steady state. The platform established here allows non-equilibrium fluctuation theorems to be studied experimentally for arbitrary steady states and can be extended to investigate quantum fluctuation theorems as well as systems that do not obey detailed balance.

  6. Non-Equilibrium Properties from Equilibrium Free Energy Calculations

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Wilson, Michael A.

    2012-01-01

    Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

  7. A two-dimensional, TVD numerical scheme for inviscid, high Mach number flows in chemical equilibrium

    NASA Technical Reports Server (NTRS)

    Eberhardt, S.; Palmer, G.

    1986-01-01

    A new algorithm has been developed for hypervelocity flows in chemical equilibrium. Solutions have been achieved for Mach numbers up to 15 with no adverse effect on convergence. Two methods of coupling an equilibrium chemistry package have been tested, with the simpler method proving to be more robust. Improvements in boundary conditions are still required for a production-quality code.

  8. Non-equilibrium Dynamics of DNA Nanotubes

    NASA Astrophysics Data System (ADS)

    Hariadi, Rizal Fajar

    nanotubes with an irreversible energy consumption reaction, analogous to nucleotide hydrolysis in actin and microtubule polymerization. Finally, we integrated the DNA strand displacement circuits with DNA nanotube polymerization to achieve programmable kinetic control of behavior within artificial cytoskeleton. Our synthetic approach may provide insights into natural cytoskeleton dynamics, such as minimal architectural or reaction mechanism requirements for non-equilibrium behaviors including treadmilling and dynamic instability. The outgrowth of DNA nanotechnology beyond its own boundaries, serving as a general model system for biomolecular dynamics, can lead to an understanding of molecular processes that advances both basic and applied sciences.

  9. A variational approach to coarse-graining of equilibrium and non-equilibrium atomistic description at finite temperature

    SciTech Connect

    Kulkarni, Y; Knap, J; Ortiz, M

    2007-04-26

    The aim of this paper is the development of equilibrium and non-equilibrium extensions of the quasicontinuum (QC) method. We first use variational mean-field theory and the maximum-entropy formalism for deriving approximate probability distribution and partition functions for the system. The resulting probability distribution depends locally on atomic temperatures defined for every atom and the corresponding thermodynamic potentials are explicit and local in nature. The method requires an interatomic potential as the sole empirical input. Numerical validation is performed by simulating thermal equilibrium properties of selected materials using the Lennard-Jones pair potential and the EAM potential and comparing with molecular dynamics results as well as experimental data. The max-ent variational approach is then taken as a basis for developing a three-dimensional non-equilibrium finite temperature extension of the quasicontinuum method. This extension is accomplished by coupling the local temperature-dependent free energy furnished by the max-ent approximation scheme to the heat equation in a joint thermo-mechanical variational setting. Results for finite-temperature nanoindentation tests demonstrate the ability of the method to capture non-equilibrium transport properties and differentiate between slow and fast indentation.

  10. Korshunov instantons out of equilibrium

    NASA Astrophysics Data System (ADS)

    Titov, M.; Gutman, D. B.

    2016-04-01

    Zero-dimensional dissipative action possesses nontrivial minima known as Korshunov instantons. They have been known so far only for imaginary time representation that is limited to equilibrium systems. In this work we reconstruct and generalise Korshunov instantons using real-time Keldysh approach. This allows us to formulate the dissipative action theory for generic nonequilibrium conditions. Possible applications of the theory to transport in strongly biased quantum dots are discussed.

  11. Local equilibrium in bird flocks

    NASA Astrophysics Data System (ADS)

    Mora, Thierry; Walczak, Aleksandra M.; Del Castello, Lorenzo; Ginelli, Francesco; Melillo, Stefania; Parisi, Leonardo; Viale, Massimiliano; Cavagna, Andrea; Giardina, Irene

    2016-12-01

    The correlated motion of flocks is an example of global order emerging from local interactions. An essential difference with respect to analogous ferromagnetic systems is that flocks are active: animals move relative to each other, dynamically rearranging their interaction network. This non-equilibrium characteristic has been studied theoretically, but its impact on actual animal groups remains to be fully explored experimentally. Here, we introduce a novel dynamical inference technique, based on the principle of maximum entropy, which accommodates network rearrangements and overcomes the problem of slow experimental sampling rates. We use this method to infer the strength and range of alignment forces from data of starling flocks. We find that local bird alignment occurs on a much faster timescale than neighbour rearrangement. Accordingly, equilibrium inference, which assumes a fixed interaction network, gives results consistent with dynamical inference. We conclude that bird orientations are in a state of local quasi-equilibrium over the interaction length scale, providing firm ground for the applicability of statistical physics in certain active systems.

  12. Alternatives to eigenstate thermalization.

    PubMed

    Rigol, Marcos; Srednicki, Mark

    2012-03-16

    An isolated quantum many-body system in an initial pure state will come to thermal equilibrium if it satisfies the eigenstate thermalization hypothesis (ETH). We consider alternatives to ETH that have been proposed. We first show that von Neumann's quantum ergodic theorem relies on an assumption that is essentially equivalent to ETH. We also investigate whether, following a sudden quench, special classes of pure states can lead to thermal behavior in systems that do not obey ETH, namely, integrable systems. We find examples of this, but only for initial states that obeyed ETH before the quench.

  13. The stochastic link equilibrium strategy and algorithm for flow assignment in communication networks

    NASA Astrophysics Data System (ADS)

    Tao, Yang; Zhou, Xia

    2005-11-01

    Based on the mature user equilibrium (UE) theory in transportation field as well as the similarity of network flow between transportation and communication, in this paper, the user equilibrium theory was applied to communication networks, and how to apply the stochastic user equilibrium (SUE) to flow assigning in generalized communication networks was further studied. The stochastic link equilibrium (SLE) flow assignment strategy was proposed in this paper, the algorithm of SLE flow assignment was also provided. Both analyses and simulation based on the given algorithm proved that the optimal flow assignment in networks can be achieved by using this algorithm.

  14. Ice ages and the thermal equilibrium of the earth, II

    USGS Publications Warehouse

    Adam, D.P.

    1975-01-01

    The energy required to sustain midlatitude continental glaciations comes from solar radiation absorbed by the oceans. It is made available through changes in relative amounts of energy lost from the sea surface as net outgoing infrared radiation, sensible heat loss, and latent heat loss. Ice sheets form in response to the initial occurrence of a large perennial snowfield in the subarctic. When such a snowfield forms, it undergoes a drastic reduction in absorbed solar energy because of its high albedo. When the absorbed solar energy cannot supply local infrared radiation losses, the snowfield cools, thus increasing the energy gradient between itself and external, warmer areas that can act as energy sources. Cooling of the snowfield progresses until the energy gradients between the snowfield and external heat sources are sufficient to bring in enough (latent plus sensible) energy to balance the energy budget over the snowfield. Much of the energy is imported as latent heat. The snow that falls and nourishes the ice sheet is a by-product of the process used to satisfy the energy balance requirements of the snowfield. The oceans are the primary energy source for the ice sheet because only the ocean can supply large amounts of latent heat. At first, some of the energy extracted by the ice sheet from the ocean is stored heat, so the ocean cools. As it cools, less energy is lost as net outgoing infrared radiation, and the energy thus saved is then available to augment evaporation. The ratio between sensible and latent heat lost by the ocean is the Bowen ratio; it depends in part on the sea surface temperature. As the sea surface temperature falls during a glaciation, the Bowen ratio increases, until most of the available energy leaves the oceans as sensible, rather than latent heat. The ice sheet starves, and an interglacial period begins. The oscillations between stadial and interstadial intervals within a glaciation are caused by the effects of varying amounts of glacial meltwater entering the oceans as a surface layer that acts to reduce the amount of energy available for glacial nourishment. This causes the ice sheet to melt back, which continues the supply of meltwater until the ice sheet diminishes to a size consistent with the reduced rate of nourishment. The meltwater supply then decreases, the rate of nourishment increases, and a new stadial begins. ?? 1975.

  15. Thermal Equilibrium of Vortex Lines in Counterflowing He II

    NASA Astrophysics Data System (ADS)

    Nemirovskii, Sergey K.

    2016-12-01

    The problem of the statistics of a set of chaotic vortex lines in counterflowing superfluid helium is studied. We introduced a Langevin-type force into the equation of motion of the vortex line in the presence of relative velocity {v_{ns}}. This random force is supposed to be Gaussian satisfying the fluctuation-dissipation theorem. The corresponding Fokker-Planck equation for probability functional in the vortex loop configuration space is shown to have a solution in the form of Gibbs distribution with the substitution E{{s}→ }E({{s}-P(vn-vs)}, where E{{s}} is the energy of the vortex configuration s and P is the Lamb impulse. Some physical consequences of this fact are discussed.

  16. Quantum statistical theory of semiconductor junctions in thermal equilibrium

    NASA Technical Reports Server (NTRS)

    Von Roos, O.

    1977-01-01

    Free carrier and electric field distributions of one-dimensional semiconductor junctions are evaluated using a quantum mechanical phase-space distribution and its corresponding Boltzmann equation. Attention is given to quantum and exchange corrections in cases of high doping concentrations when carrier densities become degenerate. Quantitative differences between degenerate and classical junction characteristics, e.g., maximum electric field and built-in voltage and carrier concentration within the transition region, are evaluated numerically.

  17. CNT based thermal Brownian motor to pump water in nanodevices

    NASA Astrophysics Data System (ADS)

    Oyarzua, Elton; Zambrano, Harvey; Walther, J. H.

    2016-11-01

    Brownian molecular motors are nanoscale machines that exploit thermal fluctuations for directional motion by employing mechanisms such as the Feynman-Smoluchowski ratchet. In this study, using Non Equilibrium Molecular Dynamics, we propose a novel thermal Brownian motor for pumping water through Carbon Nanotubes (CNTs). To achieve this we impose a thermal gradient along the axis of a CNT filled with water and impose, in addition, a spatial asymmetry by fixing specific zones on the CNT in order to modify the vibrational modes of the CNT. We find that the temperature gradient and imposed spatial asymmetry drive the water flow in a preferential direction. We systematically modified the magnitude of the applied thermal gradient and the axial position of the fixed points. The analysis involves measurement of the vibrational modes in the CNTs using a Fast Fourier Transform (FFT) algorithm. We observed water flow in CNTs of 0.94, 1.4 and 2.0 nm in diameter, reaching a maximum velocity of 5 m/s for a thermal gradient of 3.3 K/nm. The proposed thermal motor is capable of delivering a continuous flow throughout a CNT, providing a useful tool for driving liquids in nanofluidic devices by exploiting thermal gradients. We aknowledge partial support from Fondecyt project 11130559.

  18. Remarkable reduction of thermal conductivity in phosphorene phononic crystal

    NASA Astrophysics Data System (ADS)

    Xu, Wen; Zhang, Gang

    2016-05-01

    Phosphorene has received much attention due to its interesting physical and chemical properties, and its potential applications such as thermoelectricity. In thermoelectric applications, low thermal conductivity is essential for achieving a high figure of merit. In this work, we propose to reduce the thermal conductivity of phosphorene by adopting the phononic crystal structure, phosphorene nanomesh. With equilibrium molecular dynamics simulations, we find that the thermal conductivity is remarkably reduced in the phononic crystal. Our analysis shows that the reduction is due to the depressed phonon group velocities induced by Brillouin zone folding, and the reduced phonon lifetimes in the phononic crystal. Interestingly, it is found that the anisotropy ratio of thermal conductivity could be tuned by the ‘non-square’ pores in the phononic crystal, as the phonon group velocities in the direction with larger projection of pores is more severely suppressed, leading to greater reduction of thermal conductivity in this direction. Our work provides deep insight into thermal transport in phononic crystals and proposes a new strategy to reduce the thermal conductivity of monolayer phosphorene.

  19. Remarkable reduction of thermal conductivity in phosphorene phononic crystal.

    PubMed

    Xu, Wen; Zhang, Gang

    2016-05-05

    Phosphorene has received much attention due to its interesting physical and chemical properties, and its potential applications such as thermoelectricity. In thermoelectric applications, low thermal conductivity is essential for achieving a high figure of merit. In this work, we propose to reduce the thermal conductivity of phosphorene by adopting the phononic crystal structure, phosphorene nanomesh. With equilibrium molecular dynamics simulations, we find that the thermal conductivity is remarkably reduced in the phononic crystal. Our analysis shows that the reduction is due to the depressed phonon group velocities induced by Brillouin zone folding, and the reduced phonon lifetimes in the phononic crystal. Interestingly, it is found that the anisotropy ratio of thermal conductivity could be tuned by the 'non-square' pores in the phononic crystal, as the phonon group velocities in the direction with larger projection of pores is more severely suppressed, leading to greater reduction of thermal conductivity in this direction. Our work provides deep insight into thermal transport in phononic crystals and proposes a new strategy to reduce the thermal conductivity of monolayer phosphorene.

  20. Gauge coupling unification and nonequilibrium thermal dark matter.

    PubMed

    Mambrini, Yann; Olive, Keith A; Quevillon, Jérémie; Zaldívar, Bryan

    2013-06-14

    We study a new mechanism for the production of dark matter in the Universe which does not rely on thermal equilibrium. Dark matter is populated from the thermal bath subsequent to inflationary reheating via a massive mediator whose mass is above the reheating scale T(RH). To this end, we consider models with an extra U(1) gauge symmetry broken at some intermediate scale (M(int) ≃ 10(10)-10(12) GeV). We show that not only does the model allow for gauge coupling unification (at a higher scale associated with grand unification) but it can provide a dark matter candidate which is a standard model singlet but charged under the extra U(1). The intermediate scale gauge boson(s) which are predicted in several E6/SO(10) constructions can be a natural mediator between dark matter and the thermal bath. We show that the dark matter abundance, while never having achieved thermal equilibrium, is fixed shortly after the reheating epoch by the relation T(RH)(3)/M(int)(4). As a consequence, we show that the unification of gauge couplings which determines M(int) also fixes the reheating temperature, which can be as high as T(RH) ≃ 10(11) GeV.

  1. Approximate Equilibrium Shapes for Spinning, Gravitating Rubble Asteroids

    NASA Astrophysics Data System (ADS)

    Burns, Joseph A.; Sharma, I.; Jenkins, J. T.

    2007-10-01

    Approximate Equilibrium Shapes for Spinning, Gravitating Rubble Asteroids Joseph A. Burns, Ishan Sharma and James T. Jenkins Many asteroids are thought to be particle aggregates held together principally by self-gravity. Here we study those equilibrium shapes of spinning asteroids that are permitted for rubble piles. As in the case of spinning fluid masses, not all shapes may be compatible with a granular rheology. We take the asteroid to always be an ellipsoid with an interior modeled as a rigid-plastic, cohesion-less material. Using an approximate volume-averaged procedure, based on the classical method of moments, we investigate the dynamical process by which such objects may achieve equilibrium. First, to instill confidence in our approach, we have collapsed our dynamical approach to its statical limit to re-derive regions in spin-shape parameter space that allow equilibrium solutions to exist. Not surprisingly, our results duplicate static results reported by Holsapple (Icarus 154 [2001], 432; 172 [2004], 272) since the two sets of final equations match, although the formalisms to reach these expressions differ. We note that the approach applied here was obtained independently by I.S. in his Ph.D. dissertation (Cornell University, 2004); it provides a general, though approximate, framework that is amenable to systematic improvements and flexible enough to incorporate the dynamical effects of a changing shape, different rheologies and complex rotational histories. To demonstrate the power of our technique, we investigate the non-equilibrium dynamics of rigid-plastic, spinning, prolate asteroids to watch the simultaneous histories of shape and spin rate for rubble piles. We have succeeded in recovering most results of Richardson et al. (Icarus 173 [2004], 349), who obtained equilibrium shapes by studying numerically the passage into equilibrium of aggregates containing discrete, interacting, frictionless, spherical particles. Our mainly analytical approach aids

  2. Traces of Thermalization from pt Fluctuations in Nuclear Collisions

    NASA Astrophysics Data System (ADS)

    Gavin, S.

    2004-04-01

    Scattering of particles produced in high energy nuclear collisions can wrestle the system into a state near local thermal equilibrium. I illustrate how measurements of the centrality dependence of the mean transverse momentum and its fluctuations can exhibit this thermalization.

  3. Adaptive Equilibrium Regulation: A Balancing Act in Two Timescales.

    PubMed

    Boker, Steven M

    2015-03-01

    An equilibrium involves a balancing of forces. Just as one maintains upright posture in standing or walking, many self-regulatory and interpersonal behaviors can be framed as a balancing act between an ever changing environment and within-person processes. The emerging balance between person and environment, the equilibria, are dynamic and adaptive in response to development and learning. A distinction is made between equilibrium achieved solely due to a short timescale balancing of forces and a longer timescale preferred equilibrium which we define as a state towards which the system slowly adapts. Together, these are developed into a framework that this article calls Adaptive Equilibrium Regulation (ÆR), which separates a regulatory process into two timescales: a faster regulation that automatically balances forces and a slower timescale adaptation process that reconfigures the fast regulation so as to move the system towards its preferred equilibrium when an environmental force persists over the longer timescale. This way of thinking leads to novel models for the interplay between multiple timescales of behavior, learning, and development.

  4. Torque equilibrium attitude control for Skylab reentry

    NASA Technical Reports Server (NTRS)

    Glaese, J. R.; Kennel, H. F.

    1979-01-01

    All the available torque equilibrium attitudes (most were useless from the standpoint of lack of electrical power) and the equilibrium seeking method are presented, as well as the actual successful application during the 3 weeks prior to Skylab reentry.

  5. An Initial Non-Equilibrium Porous-Media Model for CFD Simulation of Stirling Regenerators

    NASA Technical Reports Server (NTRS)

    Tew, Roy C.; Simon, Terry; Gedeon, David; Ibrahim, Mounir; Rong, Wei

    2006-01-01

    The objective of this paper is to define empirical parameters for an initial thermal non-equilibrium porous-media model for use in Computational Fluid Dynamics (CFD) codes for simulation of Stirling regenerators. The two codes currently used at Glenn Research Center for Stirling modeling are Fluent and CFD-ACE. The codes porous-media models are equilibrium models, which assume solid matrix and fluid are in thermal equilibrium. This is believed to be a poor assumption for Stirling regenerators; Stirling 1-D regenerator models, used in Stirling design, use non-equilibrium regenerator models and suggest regenerator matrix and gas average temperatures can differ by several degrees at a given axial location and time during the cycle. Experimentally based information was used to define: hydrodynamic dispersion, permeability, inertial coefficient, fluid effective thermal conductivity, and fluid-solid heat transfer coefficient. Solid effective thermal conductivity was also estimated. Determination of model parameters was based on planned use in a CFD model of Infinia's Stirling Technology Demonstration Converter (TDC), which uses a random-fiber regenerator matrix. Emphasis is on use of available data to define empirical parameters needed in a thermal non-equilibrium porous media model for Stirling regenerator simulation. Such a model has not yet been implemented by the authors or their associates.

  6. Tailoring thermal conductivity of AlN films by periodically aligned surface nano-grooves

    NASA Astrophysics Data System (ADS)

    Zhang, Xiaoliang; Gong, Xiaojing; Zhou, Yanguang; Hu, Ming

    2016-09-01

    Low thermal conductivity in condensed matter is critical to a diverse range of technologies, such as high efficient thermoelectrics and thermal insulation. It is thus important to fabricate, grow, or assemble structures that can reach a low limit. For III-nitride with high intrinsic thermal conductivity, how to utilize periodic nanostructures to manipulate phonons and achieve controllable low thermal conductivity is rarely studied. Recently, periodically self-organized arrays of nano-grooves on AlN (0001) surface have been observed experimentally. Inspired by this, we perform non-equilibrium molecular dynamics simulations to explore the thermal transport in such structures. The dependence of thermal conductivity on the periodic length of the nano-grooves and the angle of the side wall is systematically studied. Remarkably, results show that the thermal conductivity has a minimum value for a critical periodic length, which is one order of magnitude lower than the counterpart bulk value. The intrinsic high thermal conductivity of AlN can be robustly manipulated to the desired value by rationally designing the periodic nano-groove structure on the surface of the film. The detailed mechanism is provided by the frequency dependent heat current spectrum and phonon polarization analysis, along with the semi-empirical theoretical model. The understanding gained from this study offers an alternative route for tailoring the thermal conductivity of nanofilms by periodically patterned nano-grooves, which has large impact in relevant applications involving thermal transport.

  7. Mirabilite solubility in equilibrium sea ice brines

    NASA Astrophysics Data System (ADS)

    Butler, Benjamin Miles; Papadimitriou, Stathys; Santoro, Anna; Kennedy, Hilary

    2016-06-01

    The sea ice microstructure is permeated by brine channels and pockets that contain concentrated seawater-derived brine. Cooling the sea ice results in further formation of pure ice within these pockets as thermal equilibrium is attained, resulting in a smaller volume of increasingly concentrated residual brine. The coupled changes in temperature and ionic composition result in supersaturation of the brine with respect to mirabilite (Na2SO4·10H2O) at temperatures below -6.38 °C, which consequently precipitates within the sea ice microstructure. Here, mirabilite solubility in natural and synthetic seawater derived brines, representative of sea ice at thermal equilibrium, has been measured in laboratory experiments between 0.2 and -20.6 °C, and hence we present a detailed examination of mirabilite dynamics within the sea ice system. Below -6.38 °C mirabilite displays particularly large changes in solubility as the temperature decreases, and by -20.6 °C its precipitation results in 12.90% and 91.97% reductions in the total dissolved Na+ and SO42- concentrations respectively, compared to that of conservative seawater concentration. Such large non-conservative changes in brine composition could potentially impact upon the measurement of sea ice brine salinity and pH, whilst the altered osmotic conditions may create additional challenges for the sympagic organisms that inhabit the sea ice system. At temperatures above -6.38 °C, mirabilite again displays large changes in solubility that likely aid in impeding its identification in field samples of sea ice. Our solubility measurements display excellent agreement with that of the FREZCHEM model, which was therefore used to supplement our measurements to colder temperatures. Measured and modelled solubility data were incorporated into a 1D model for the growth of first-year Arctic sea ice. Model results ultimately suggest that mirabilite has a near ubiquitous presence in much of the sea ice on Earth, and illustrate the

  8. Equilibrium and non-equilibrium metal-ceramic interfaces

    SciTech Connect

    Gao, Y.; Merkle, K.L.

    1991-12-31

    Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO{sub 2}) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO{sub 2} system, ZrO{sub 2} precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO{sub 2} phase. It appears that formation of the cubic ZrO{sub 2} is facilitated by alignment with the Au matrix. Most of the ZrO{sub 2} precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed [111] Au/ZrO{sub 2} interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent of semi-coherent. This indicates that there may be relatively strong bond between MgO and Au.

  9. Equilibrium and non-equilibrium metal-ceramic interfaces

    SciTech Connect

    Gao, Y.; Merkle, K.L.

    1991-01-01

    Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO{sub 2}) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO{sub 2} system, ZrO{sub 2} precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO{sub 2} phase. It appears that formation of the cubic ZrO{sub 2} is facilitated by alignment with the Au matrix. Most of the ZrO{sub 2} precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed (111) Au/ZrO{sub 2} interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent of semi-coherent. This indicates that there may be relatively strong bond between MgO and Au.

  10. Open problems in non-equilibrium physics

    SciTech Connect

    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.

  11. Conformations of Proteins in Equilibrium

    NASA Astrophysics Data System (ADS)

    Micheletti, Cristian; Banavar, Jayanth R.; Maritan, Amos

    2001-08-01

    We introduce a simple theoretical approach for an equilibrium study of proteins with known native-state structures. We test our approach with results on well-studied globular proteins, chymotrypsin inhibitor (2ci2), barnase, and the alpha spectrin SH3 domain, and present evidence for a hierarchical onset of order on lowering the temperature with significant organization at the local level even at high temperatures. A further application to the folding process of HIV-1 protease shows that the model can be reliably used to identify key folding sites that are responsible for the development of drug resistance.

  12. Princeton spectral equilibrium code: PSEC

    SciTech Connect

    Ling, K.M.; Jardin, S.C.

    1984-03-01

    A fast computer code has been developed to calculate free-boundary solutions to the plasma equilibrium equation that are consistent with the currents in external coils and conductors. The free-boundary formulation is based on the minimization of a mean-square error epsilon while the fixed-boundary solution is based on a variational principle and spectral representation of the coordinates x(psi,theta) and z(psi,theta). Specific calculations using the Columbia University Torus II, the Poloidal Divertor Experiment (PDX), and the Tokamak Fusion Test Reactor (TFTR) geometries are performed.

  13. Off-equilibrium sphaleron transitions in the Glasma

    DOE PAGES

    Mace, Mark; Schlichting, Soren; Venugopalan, Raju

    2016-04-28

    We perform the first, to our knowledge, classical-statistical real time lattice simulations of topological transitions in the nonequilibrium glasma of weakly coupled but highly occupied gauge fields created immediately after the collision of ultrarelativistic nuclei. Simplifying our description by employing SU(2) gauge fields, and neglecting their longitudinal expansion, we find that the rate of topological transitions is initially strongly enhanced relative to the thermal sphaleron transition rate and decays with time during the thermalization process. Qualitative features of the time dependence of this nonequilibrium transition rate can be understood when expressed in terms of the magnetic screening length, which wemore » also extract nonperturbatively. Furthermore, a detailed investigation of auto-correlation functions of the Chern-Simons number (NCS) reveals non-Markovian features of the evolution distinct from previous simulations of non-Abelian plasmas in thermal equilibrium.« less

  14. Off-equilibrium sphaleron transitions in the Glasma

    SciTech Connect

    Mace, Mark; Schlichting, Soren; Venugopalan, Raju

    2016-04-28

    We perform the first, to our knowledge, classical-statistical real time lattice simulations of topological transitions in the nonequilibrium glasma of weakly coupled but highly occupied gauge fields created immediately after the collision of ultrarelativistic nuclei. Simplifying our description by employing SU(2) gauge fields, and neglecting their longitudinal expansion, we find that the rate of topological transitions is initially strongly enhanced relative to the thermal sphaleron transition rate and decays with time during the thermalization process. Qualitative features of the time dependence of this nonequilibrium transition rate can be understood when expressed in terms of the magnetic screening length, which we also extract nonperturbatively. Furthermore, a detailed investigation of auto-correlation functions of the Chern-Simons number (NCS) reveals non-Markovian features of the evolution distinct from previous simulations of non-Abelian plasmas in thermal equilibrium.

  15. Nematic-like stable glasses without equilibrium liquid crystal phases.

    PubMed

    Gómez, Jaritza; Gujral, Ankit; Huang, Chengbin; Bishop, Camille; Yu, Lian; Ediger, M D

    2017-02-07

    We report the thermal and structural properties of glasses of posaconazole, a rod-like molecule, prepared using physical vapor deposition (PVD). PVD glasses of posaconazole can show substantial molecular orientation depending upon the choice of substrate temperature, Tsubstrate, during deposition. Ellipsometry and IR measurements indicate that glasses prepared at Tsubstrate very near the glass transition temperature (Tg) are highly ordered. For these posaconazole glasses, the orientation order parameter is similar to that observed in macroscopically aligned nematic liquid crystals, indicating that the molecules are mostly parallel to one another and perpendicular to the interface. To our knowledge, these are the most anisotropic glasses ever prepared by PVD from a molecule that does not form equilibrium liquid crystal phases. These results are consistent with a previously proposed mechanism in which molecular orientation in PVD glasses is inherited from the orientation present at the free surface of the equilibrium liquid. This mechanism suggests that molecular orientation at the surface of the equilibrium liquid of posaconazole is nematic-like. Posaconazole glasses can show very high kinetic stability; the isothermal transformation of a 400 nm glass into the supercooled liquid occurs via a propagating front that originates at the free surface and requires ∼10(5) times the structural relaxation time of the liquid (τα). We also studied the kinetic stability of PVD glasses of itraconazole, which is a structurally similar molecule with equilibrium liquid crystal phases. While itraconazole glasses can be even more anisotropic than posaconazole glasses, they exhibit lower kinetic stability.

  16. Nematic-like stable glasses without equilibrium liquid crystal phases

    NASA Astrophysics Data System (ADS)

    Gómez, Jaritza; Gujral, Ankit; Huang, Chengbin; Bishop, Camille; Yu, Lian; Ediger, M. D.

    2017-02-01

    We report the thermal and structural properties of glasses of posaconazole, a rod-like molecule, prepared using physical vapor deposition (PVD). PVD glasses of posaconazole can show substantial molecular orientation depending upon the choice of substrate temperature, Tsubstrate, during deposition. Ellipsometry and IR measurements indicate that glasses prepared at Tsubstrate very near the glass transition temperature (Tg) are highly ordered. For these posaconazole glasses, the orientation order parameter is similar to that observed in macroscopically aligned nematic liquid crystals, indicating that the molecules are mostly parallel to one another and perpendicular to the interface. To our knowledge, these are the most anisotropic glasses ever prepared by PVD from a molecule that does not form equilibrium liquid crystal phases. These results are consistent with a previously proposed mechanism in which molecular orientation in PVD glasses is inherited from the orientation present at the free surface of the equilibrium liquid. This mechanism suggests that molecular orientation at the surface of the equilibrium liquid of posaconazole is nematic-like. Posaconazole glasses can show very high kinetic stability; the isothermal transformation of a 400 nm glass into the supercooled liquid occurs via a propagating front that originates at the free surface and requires ˜105 times the structural relaxation time of the liquid (τα). We also studied the kinetic stability of PVD glasses of itraconazole, which is a structurally similar molecule with equilibrium liquid crystal phases. While itraconazole glasses can be even more anisotropic than posaconazole glasses, they exhibit lower kinetic stability.

  17. Equilibrium & Nonequilibrium Fluctuation Effects in Biopolymer Networks

    NASA Astrophysics Data System (ADS)

    Kachan, Devin Michael

    Fluctuation-induced interactions are an important organizing principle in a variety of soft matter systems. In this dissertation, I explore the role of both thermal and active fluctuations within cross-linked polymer networks. The systems I study are in large part inspired by the amazing physics found within the cytoskeleton of eukaryotic cells. I first predict and verify the existence of a thermal Casimir force between cross-linkers bound to a semi-flexible polymer. The calculation is complicated by the appearance of second order derivatives in the bending Hamiltonian for such polymers, which requires a careful evaluation of the the path integral formulation of the partition function in order to arrive at the physically correct continuum limit and properly address ultraviolet divergences. I find that cross linkers interact along a filament with an attractive logarithmic potential proportional to thermal energy. The proportionality constant depends on whether and how the cross linkers constrain the relative angle between the two filaments to which they are bound. The interaction has important implications for the synthesis of biopolymer bundles within cells. I model the cross-linkers as existing in two phases: bound to the bundle and free in solution. When the cross-linkers are bound, they behave as a one-dimensional gas of particles interacting with the Casimir force, while the free phase is a simple ideal gas. Demanding equilibrium between the two phases, I find a discontinuous transition between a sparsely and a densely bound bundle. This discontinuous condensation transition induced by the long-ranged nature of the Casimir interaction allows for a similarly abrupt structural transition in semiflexible filament networks between a low cross linker density isotropic phase and a higher cross link density bundle network. This work is supported by the results of finite element Brownian dynamics simulations of semiflexible filaments and transient cross-linkers. I

  18. Coupling of an average-atom model with a collisional-radiative equilibrium model

    SciTech Connect

    Faussurier, G. Blancard, C.; Cossé, P.

    2014-11-15

    We present a method to combine a collisional-radiative equilibrium model and an average-atom model to calculate bound and free electron wavefunctions in hot dense plasmas by taking into account screening. This approach allows us to calculate electrical resistivity and thermal conductivity as well as pressure in non local thermodynamic equilibrium plasmas. Illustrations of the method are presented for dilute titanium plasma.

  19. [Hardy-Weinberg equilibrium in genetic epidemiology].

    PubMed

    Liu, Hong; Hu, Yonghua

    2010-01-01

    Hardy-Weinberg equilibrium test is the base of genetic epidemiology. The new methods for Hardy-Weinberg equilibrium test involve: X chromosome-linked single nucleotide polymorphism Hardy-Weinberg test, inbreeding coefficient (F) test, an incomplete enumeration algorithm for an exact test of Hardy-Weinberg proportions with multiple alleles, and graphical tests for Hardy-Weinberg equilibrium based on the ternary plot. It is necessary to conduct Hardy-Weinberg equilibrium test in genetic epidemiology studies and adjust the associations as deviation of Hardy-Weinberg equilibrium occurs.

  20. The geometry of structural equilibrium

    PubMed Central

    2017-01-01

    Building on a long tradition from Maxwell, Rankine, Klein and others, this paper puts forward a geometrical description of structural equilibrium which contains a procedure for the graphic analysis of stress resultants within general three-dimensional frames. The method is a natural generalization of Rankine’s reciprocal diagrams for three-dimensional trusses. The vertices and edges of dual abstract 4-polytopes are embedded within dual four-dimensional vector spaces, wherein the oriented area of generalized polygons give all six components (axial and shear forces with torsion and bending moments) of the stress resultants. The relevant quantities may be readily calculated using four-dimensional Clifford algebra. As well as giving access to frame analysis and design, the description resolves a number of long-standing problems with the incompleteness of Rankine’s description of three-dimensional trusses. Examples are given of how the procedure may be applied to structures of engineering interest, including an outline of a two-stage procedure for addressing the equilibrium of loaded gridshell rooves.

  1. Are the Concepts of Dynamic Equilibrium and the Thermodynamic Criteria for Spontaneity, Nonspontaneity, and Equilibrium Compatible?

    ERIC Educational Resources Information Center

    Silverberg, Lee J.; Raff, Lionel M.

    2015-01-01

    Thermodynamic spontaneity-equilibrium criteria require that in a single-reaction system, reactions in either the forward or reverse direction at equilibrium be nonspontaneous. Conversely, the concept of dynamic equilibrium holds that forward and reverse reactions both occur at equal rates at equilibrium to the extent allowed by kinetic…

  2. Graded Achievement, Tested Achievement, and Validity

    ERIC Educational Resources Information Center

    Brookhart, Susan M.

    2015-01-01

    Twenty-eight studies of grades, over a century, were reviewed using the argument-based approach to validity suggested by Kane as a theoretical framework. The review draws conclusions about the meaning of graded achievement, its relation to tested achievement, and changes in the construct of graded achievement over time. "Graded…

  3. Studying non-equilibrium many-body dynamics using one-dimensional Bose gases

    SciTech Connect

    Langen, Tim; Gring, Michael; Kuhnert, Maximilian; Rauer, Bernhard; Geiger, Remi; Mazets, Igor; Smith, David Adu; Schmiedmayer, Jörg; Kitagawa, Takuya; Demler, Eugene

    2014-12-04

    Non-equilibrium dynamics of isolated quantum many-body systems play an important role in many areas of physics. However, a general answer to the question of how these systems relax is still lacking. We experimentally study the dynamics of ultracold one-dimensional (1D) Bose gases. This reveals the existence of a quasi-steady prethermalized state which differs significantly from the thermal equilibrium of the system. Our results demonstrate that the dynamics of non-equilibrium quantum many-body systems is a far richer process than has been assumed in the past.

  4. Non-equilibrium effects upon the non-Markovian Caldeira-Leggett quantum master equation

    SciTech Connect

    Bolivar, A.O.

    2011-05-15

    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.

  5. Entropy Production and Non-Equilibrium Steady States

    NASA Astrophysics Data System (ADS)

    Suzuki, Masuo

    2013-01-01

    The long-term issue of entropy production in transport phenomena is solved by separating the symmetry of the non-equilibrium density matrix ρ(t) in the von Neumann equation, as ρ(t) = ρs(t) + ρa(t) with the symmetric part ρs(t) and antisymmetric part ρa(t). The irreversible entropy production (dS/dt)irr is given in M. Suzuki, Physica A 390(2011)1904 by (dS/dt)irr = Tr( {H}(dρ s{(t)/dt))}/T for the Hamiltonian {H} of the relevant system. The general formulation of the extended von Neumann equation with energy supply and heat extraction is reviewed from the author's paper (M. S.,Physica A391(2012)1074). irreversibility; entropy production; transport phenomena; electric conduction; thermal conduction; linear response; Kubo formula; steady state; non-equilibrium density matrix; energy supply; symmetry-separated von Neumann equation; unboundedness.

  6. Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding

    PubMed Central

    Zhang, Xiaoliang; Gao, Yufei; Chen, Yuli; Hu, Ming

    2016-01-01

    Graphene and its bilayer structure are the two-dimensional crystalline form of carbon, whose extraordinary electron mobility and other unique features hold great promise for nanoscale electronics and photonics. Their realistic applications in emerging nanoelectronics usually call for thermal transport manipulation in a controllable and precise manner. In this paper we systematically studied the effect of interlayer covalent bonding, in particular different interlay bonding arrangement, on the thermal conductivity of bilayer graphene using equilibrium molecular dynamics simulations. It is revealed that, the thermal conductivity of randomly bonded bilayer graphene decreases monotonically with the increase of interlayer bonding density, however, for the regularly bonded bilayer graphene structure the thermal conductivity possesses unexpectedly non-monotonic dependence on the interlayer bonding density. The results suggest that the thermal conductivity of bilayer graphene depends not only on the interlayer bonding density, but also on the detailed topological configuration of the interlayer bonding. The underlying mechanism for this abnormal phenomenon is identified by means of phonon spectral energy density, participation ratio and mode weight factor analysis. The large tunability of thermal conductivity of bilayer graphene through rational interlayer bonding arrangement paves the way to achieve other desired properties for potential nanoelectronics applications involving graphene layers. PMID:26911859

  7. Robustly Engineering Thermal Conductivity of Bilayer Graphene by Interlayer Bonding.

    PubMed

    Zhang, Xiaoliang; Gao, Yufei; Chen, Yuli; Hu, Ming

    2016-02-25

    Graphene and its bilayer structure are the two-dimensional crystalline form of carbon, whose extraordinary electron mobility and other unique features hold great promise for nanoscale electronics and photonics. Their realistic applications in emerging nanoelectronics usually call for thermal transport manipulation in a controllable and precise manner. In this paper we systematically studied the effect of interlayer covalent bonding, in particular different interlay bonding arrangement, on the thermal conductivity of bilayer graphene using equilibrium molecular dynamics simulations. It is revealed that, the thermal conductivity of randomly bonded bilayer graphene decreases monotonically with the increase of interlayer bonding density, however, for the regularly bonded bilayer graphene structure the thermal conductivity possesses unexpectedly non-monotonic dependence on the interlayer bonding density. The results suggest that the thermal conductivity of bilayer graphene depends not only on the interlayer bonding density, but also on the detailed topological configuration of the interlayer bonding. The underlying mechanism for this abnormal phenomenon is identified by means of phonon spectral energy density, participation ratio and mode weight factor analysis. The large tunability of thermal conductivity of bilayer graphene through rational interlayer bonding arrangement paves the way to achieve other desired properties for potential nanoelectronics applications involving graphene layers.

  8. Rheology modulated non-equilibrium fluctuations in time-dependent diffusion processes

    NASA Astrophysics Data System (ADS)

    Maity, Debonil; Bandopadhyay, Aditya; Chakraborty, Suman

    2016-11-01

    The effect of non-Newtonian rheology, manifested through a viscoelastic linearized Maxwell model, on the time-dependent non-equilibrium concentration fluctuations due to free diffusion as well as thermal diffusion of a species is analyzed theoretically. Contrary to the belief that non-equilibrium Rayleigh line is not influenced by viscoelastic effects, through rigorous calculations, we put forward the fact that viscoelastic effects do influence the non-equilibrium Rayleigh line, while the effects are absent for the equilibrium scenario. The non-equilibrium process is quantified through the concentration fluctuation auto-correlation function, also known as the structure factor. The analysis reveals that the effect of rheology is prominent for both the cases of free diffusion and thermal diffusion at long times, where the influence of rheology dictates not only the location of the peaks in concentration dynamic structure factors, but also the magnitudes; such peaks in dynamic structure factors are absent in the case of Newtonian fluid. At smaller times, for the case of free diffusion, presence of time-dependent peak(s) are observed, which are weakly dependent on the influence of rheology, a phenomenon which is absent in the case of thermal diffusion. Different regimes of the frequency dependent overall dynamic structure factor, depending on the interplay of the fluid relaxation time and momentum diffusivity, are evaluated. The static structure factor is not affected to a great extent for the case of free-diffusion and is unaffected for the case of thermal diffusion.

  9. TESTING STRICT HYDROSTATIC EQUILIBRIUM IN SIMULATED CLUSTERS OF GALAXIES: IMPLICATIONS FOR A1689

    SciTech Connect

    Molnar, S. M.; Umetsu, K.; Chiu, I.-N.; Chen, P.; Hearn, N.; Broadhurst, T.; Bryan, G.; Shang, C.

    2010-11-20

    Accurate mass determination of clusters of galaxies is crucial if they are to be used as cosmological probes. However, there are some discrepancies between cluster masses determined based on gravitational lensing and X-ray observations assuming strict hydrostatic equilibrium (i.e., the equilibrium gas pressure is provided entirely by thermal pressure). Cosmological simulations suggest that turbulent gas motions remaining from hierarchical structure formation may provide a significant contribution to the equilibrium pressure in clusters. We analyze a sample of massive clusters of galaxies drawn from high-resolution cosmological simulations and find a significant contribution (20%-45%) from non-thermal pressure near the center of relaxed clusters, and, in accord with previous studies, a minimum contribution at about 0.1 R {sub vir}, growing to about 30%-45% at the virial radius, R {sub vir}. Our results strongly suggest that relaxed clusters should have significant non-thermal support in their core region. As an example, we test the validity of strict hydrostatic equilibrium in the well-studied massive galaxy cluster A1689 using the latest high-resolution gravitational lensing and X-ray observations. We find a contribution of about 40% from non-thermal pressure within the core region of A1689, suggesting an alternate explanation for the mass discrepancy: the strict hydrostatic equilibrium is not valid in this region.

  10. Nanomechanics Model for Static Equilibrium

    NASA Astrophysics Data System (ADS)

    Jung, Sunghoon

    2002-09-01

    This study presented a computational technique to model and simulate atomistic behavior of materials under static loads, Interatomic potential energy was used to maintain equilibrium among atoms under static loads and constraints, In addition, the atomistic model was coupled with the finite element analysis model so that more flexible loads and constraints could be applied to the atomistic model A multi-scale technique was also presented for some single wall nanotubes of both zigzag and armchair and then their effective stiffness were estimated Those designed nanotubes are woven into fabric composites, which can be used in various military applications including body armored, vehicles, and infantry transportation vehicles because advanced nano- composites could be much lighter and stronger than current ones, Some example problems were presented to illustrate the developed technique for the nano-composites and SWNTs, The proposed technique for nanomechanics can be used for design and analysis of materials at the atomic or molecular level,

  11. Local non-equilibrium thermodynamics

    PubMed Central

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-01

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation. PMID:25592077

  12. Equilibrium avalanches in spin glasses

    NASA Astrophysics Data System (ADS)

    Le Doussal, Pierre; Müller, Markus; Wiese, Kay Jörg

    2012-06-01

    We study the distribution of equilibrium avalanches (shocks) in Ising spin glasses which occur at zero temperature upon small changes in the magnetic field. For the infinite-range Sherrington-Kirkpatrick (SK) model, we present a detailed derivation of the density ρ(ΔM) of the magnetization jumps ΔM. It is obtained by introducing a multicomponent generalization of the Parisi-Duplantier equation, which allows us to compute all cumulants of the magnetization. We find that ρ(ΔM)˜ΔM-τ with an avalanche exponent τ=1 for the SK model, originating from the marginal stability (criticality) of the model. It holds for jumps of size 1≪ΔMequilibrium dynamics of the SK model. For finite-range models, using droplet arguments, we obtain the prediction τ=(df+θ)/dm where df,dm, and θ are the fractal dimension, magnetization exponent, and energy exponent of a droplet, respectively. This formula is expected to apply to other glassy disordered systems, such as the random-field model and pinned interfaces. We make suggestions for further numerical investigations, as well as experimental studies of the Barkhausen noise in spin glasses.

  13. Non-equilibrium Helium Ionization in an MHD Simulation of the Solar Atmosphere

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

    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.

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

    SciTech Connect

    Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit E-mail: mats.carlsson@astro.uio.no

    2016-02-01

    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.

  15. Directed percolation identified as equilibrium pre-transition towards non-equilibrium arrested gel states

    NASA Astrophysics Data System (ADS)

    Laurati, Marco; Capellmann, Ronja; Kohl, Matthias; Egelhaaf, Stefan; Schmiedeberg, Michael

    The macroscopic properties of gels arise from their slow dynamics and load bearing network structure, which are exploited by nature and in numerous industrial products. However, a link between these structural and dynamical properties has remained elusive. Here we present confocal microscopy exper- iments and simulations of gel-forming colloid-polymer mixtures with competing interactions. They reveal that gel formation is preceded by continuous and directed percolation. Both transitions lead to system spanning networks, but only directed percolation results in extremely slow dynamics, ageing and a shrinking of the gel that resembles syneresis. Therefore, dynamical arrest in gels is found to be linked to a structural transition, namely directed percolation, which is quantitatively associated with the mean number of bonded neighbours. Directed percolation is a universality class of transitions out of equilibrium, our study hence connects gel formation to a well-developed theoretical framework which now can be exploited to achieve a detailed understanding of arrested gels.

  16. Direct measurement of the Einstein relation in a macroscopic, non-equilibrium system of chaotic surface waves

    NASA Astrophysics Data System (ADS)

    Welch, Kyle; Liebman-Pelaez, Alexander; Corwin, Eric

    Equilibrium statistical mechanics is traditionally limited to thermal systems. Can it be applied to athermal, non-equilibrium systems that nonetheless satisfy the basic criteria of steady-state chaos and isotropy? We answer this question using a macroscopic system of chaotic surface waves which is, by all measures, non-equilibrium. The waves are generated in a dish of water that is vertically oscillated above a critical amplitude. We have constructed a rheometer that actively measures the drag imparted by the waves on a buoyant particle, a quantity entirely divorced in origin from the drag imparted by the fluid in which the particle floats. We also perform a separate, passive measurement, extracting a diffusion constant and effective temperature. Having directly measured all three properties (temperature, diffusion constant, and drag coefficient) we go on to show that our macroscopic, non-equilibrium case is wholly consistent with the Einstein relation, a classic result for equilibrium thermal systems.

  17. Optical Properties in Non-equilibrium Phase Transitions

    SciTech Connect

    Ao, T; Ping, Y; Widmann, K; Price, D F; Lee, E; Tam, H; Springer, P T; Ng, A

    2006-01-05

    An open question about the dynamical behavior of materials is how phase transition occurs in highly non-equilibrium systems. One important class of study is the excitation of a solid by an ultrafast, intense laser. The preferential heating of electrons by the laser field gives rise to initial states dominated by hot electrons in a cold lattice. Using a femtosecond laser pump-probe approach, we have followed the temporal evolution of the optical properties of such a system. The results show interesting correlation to non-thermal melting and lattice disordering processes. They also reveal a liquid-plasma transition when the lattice energy density reaches a critical value.

  18. Philicities, Fugalities, and Equilibrium Constants.

    PubMed

    Mayr, Herbert; Ofial, Armin R

    2016-05-17

    The mechanistic model of Organic Chemistry is based on relationships between rate and equilibrium constants. Thus, strong bases are generally considered to be good nucleophiles and poor nucleofuges. Exceptions to this rule have long been known, and the ability of iodide ions to catalyze nucleophilic substitutions, because they are good nucleophiles as well as good nucleofuges, is just a prominent example for exceptions from the general rule. In a reaction series, the Leffler-Hammond parameter α = δΔG(⧧)/δΔG° describes the fraction of the change in the Gibbs energy of reaction, which is reflected in the change of the Gibbs energy of activation. It has long been considered as a measure for the position of the transition state; thus, an α value close to 0 was associated with an early transition state, while an α value close to 1 was considered to be indicative of a late transition state. Bordwell's observation in 1969 that substituent variation in phenylnitromethanes has a larger effect on the rates of deprotonation than on the corresponding equilibrium constants (nitroalkane anomaly) triggered the breakdown of this interpretation. In the past, most systematic investigations of the relationships between rates and equilibria of organic reactions have dealt with proton transfer reactions, because only for few other reaction series complementary kinetic and thermodynamic data have been available. In this Account we report on a more general investigation of the relationships between Lewis basicities, nucleophilicities, and nucleofugalities as well as between Lewis acidities, electrophilicities, and electrofugalities. Definitions of these terms are summarized, and it is suggested to replace the hybrid terms "kinetic basicity" and "kinetic acidity" by "protophilicity" and "protofugality", respectively; in this way, the terms "acidity" and "basicity" are exclusively assigned to thermodynamic properties, while "philicity" and "fugality" refer to kinetics

  19. Equilibrium sampling by reweighting nonequilibrium simulation trajectories.

    PubMed

    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.

  20. Equilibrium sampling by reweighting nonequilibrium simulation trajectories

    NASA Astrophysics Data System (ADS)

    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.

  1. Equilibrium Control Policies for Markov Chains

    SciTech Connect

    Malikopoulos, Andreas

    2011-01-01

    The average cost criterion has held great intuitive appeal and has attracted considerable attention. It is widely employed when controlling dynamic systems that evolve stochastically over time by means of formulating an optimization problem to achieve long-term goals efficiently. The average cost criterion is especially appealing when the decision-making process is long compared to other timescales involved, and there is no compelling motivation to select short-term optimization. This paper addresses the problem of controlling a Markov chain so as to minimize the average cost per unit time. Our approach treats the problem as a dual constrained optimization problem. We derive conditions guaranteeing that a saddle point exists for the new dual problem and we show that this saddle point is an equilibrium control policy for each state of the Markov chain. For practical situations with constraints consistent to those we study here, our results imply that recognition of such saddle points may be of value in deriving in real time an optimal control policy.

  2. Conditions for equilibrium solid-stabilized emulsions.

    PubMed

    Kraft, Daniela J; de Folter, Julius W J; Luigjes, Bob; Castillo, Sonja I R; Sacanna, Stefano; Philipse, Albert P; Kegel, Willem K

    2010-08-19

    Particular types of solid-stabilized emulsions can be thermodynamically stable as evidenced by their spontaneous formation and monodisperse droplet size, which only depends on system parameters. Here, we investigate the generality of these equilibrium solid-stabilized emulsions with respect to the basic constituents: aqueous phase with ions, oil, and stabilizing particles. From systematic variations of these constituents, we identify general conditions for the spontaneous formation of monodisperse solid-stabilized emulsions droplets. We conclude that emulsion stability is achieved by a combination of solid particles as well as amphiphilic ions adsorbed at the droplet surface, and low interfacial tensions of the bare oil-water interface of order 10 mN/m or below. Furthermore, preferential wetting of the colloidal particles by the oil phase is necessary for thermodynamic stability. We demonstrate the sufficiency of these basic requirements by extending the observed thermodynamic stability to emulsions of different compositions. Our findings point to a new class of colloid-stabilized meso-emulsions with a potentially high impact on industrial emulsification processes due to the associated large energy savings.

  3. Equilibrium coexistence of three amphiboles

    USGS Publications Warehouse

    Robinson, P.; Jaffe, H.W.; Klein, C.; Ross, M.

    1969-01-01

    Electron probe and wet chemical analyses of amphibole pairs from the sillimanite zone of central Massachusetts and adjacent New Hampshire indicated that for a particular metamorphic grade there should be a restricted composition range in which three amphiboles can coexist stably. An unequivocal example of such an equilibrium three amphibole rock has been found in the sillimanite-orthoclase zone. It contains a colorless primitive clinoamphibole, space group P21/m, optically and chemically like cummingtonite with blue-green hornblende exsolution lamellae on (100) and (-101) of the host; blue-green hornblende, space group C2/m, with primitive cummingtonite exsolution lamellae on (100) and (-101) of the host; and pale pinkish tan anthophyllite, space group Pnma, that is free of visible exsolution lamellae but is a submicroscopic intergrowth of two orthorhombic amphiboles. Mutual contacts and coarse, oriented intergrowths of two and three host amphiboles indicate the three grew as an equilibrium assemblage prior to exsolution. Electron probe analyses at mutual three-amphibole contacts showed little variation in the composition of each amphibole. Analyses believed to represent most closely the primary amphibole compositions gave atomic proportions on the basis of 23 oxygens per formula unit as follows: for primitive cummingtonite (Na0.02Ca0.21- Mn0.06Fe2+2.28Mg4.12Al0.28) (Al0.17Si7.83), for hornblende (Na0.35Ca1.56Mn0.02Fe1.71Mg2.85Al0.92) (Al1.37Si6.63), and for anthophyllite (Na0.10Ca0.06Mn0.06Fe2.25Mg4.11Al0.47) (Al0.47Si7.53). The reflections violating C-symmetry, on X-ray single crystal photographs of the primitive cummingtonite, are weak and diffuse, and suggest a partial inversion from a C-centered to a primitive clinoamphibole. Single crystal photographs of the anthophyllite show split reflections indicating it is an intergrowth of about 80% anthophyllite and about 20% gedrite which differ in their b crystallographic dimensions. Split reflections are

  4. EASI - EQUILIBRIUM AIR SHOCK INTERFERENCE

    NASA Technical Reports Server (NTRS)

    Glass, C. E.

    1994-01-01

    New research on hypersonic vehicles, such as the National Aero-Space Plane (NASP), has raised concerns about the effects of shock-wave interference on various structural components of the craft. State-of-the-art aerothermal analysis software is inadequate to predict local flow and heat flux in areas of extremely high heat transfer, such as the surface impingement of an Edney-type supersonic jet. EASI revives and updates older computational methods for calculating inviscid flow field and maximum heating from shock wave interference. The program expands these methods to solve problems involving the six shock-wave interference patterns on a two-dimensional cylindrical leading edge with an equilibrium chemically reacting gas mixture (representing, for example, the scramjet cowl of the NASP). The inclusion of gas chemistry allows for a more accurate prediction of the maximum pressure and heating loads by accounting for the effects of high temperature on the air mixture. Caloric imperfections and specie dissociation of high-temperature air cause shock-wave angles, flow deflection angles, and thermodynamic properties to differ from those calculated by a calorically perfect gas model. EASI contains pressure- and temperature-dependent thermodynamic and transport properties to determine heating rates, and uses either a calorically perfect air model or an 11-specie, 7-reaction reacting air model at equilibrium with temperatures up to 15,000 K for the inviscid flowfield calculations. EASI solves the flow field and the associated maximum surface pressure and heat flux for the six common types of shock wave interference. Depending on the type of interference, the program solves for shock-wave/boundary-layer interaction, expansion-fan/boundary-layer interaction, attaching shear layer or supersonic jet impingement. Heat flux predictions require a knowledge (from experimental data or relevant calculations) of a pertinent length scale of the interaction. Output files contain flow

  5. RINGED ACCRETION DISKS: EQUILIBRIUM CONFIGURATIONS

    SciTech Connect

    Pugliese, D.; Stuchlík, Z. E-mail: zdenek.stuchlik@physics.cz

    2015-12-15

    We investigate a model of a ringed accretion disk, made up by several rings rotating around a supermassive Kerr black hole attractor. Each toroid of the ringed disk is governed by the general relativity hydrodynamic Boyer condition of equilibrium configurations of rotating perfect fluids. Properties of the tori can then be determined by an appropriately defined effective potential reflecting the background Kerr geometry and the centrifugal effects. The ringed disks could be created in various regimes during the evolution of matter configurations around supermassive black holes. Therefore, both corotating and counterrotating rings have to be considered as being a constituent of the ringed disk. We provide constraints on the model parameters for the existence and stability of various ringed configurations and discuss occurrence of accretion onto the Kerr black hole and possible launching of jets from the ringed disk. We demonstrate that various ringed disks can be characterized by a maximum number of rings. We present also a perturbation analysis based on evolution of the oscillating components of the ringed disk. The dynamics of the unstable phases of the ringed disk evolution seems to be promising in relation to high-energy phenomena demonstrated in active galactic nuclei.

  6. Determining hydrodynamic boundary conditions from equilibrium fluctuations

    NASA Astrophysics Data System (ADS)

    Chen, Shuyu; Wang, Han; Qian, Tiezheng; Sheng, Ping

    2015-10-01

    The lack of a first-principles derivation has made the hydrodynamic boundary condition a classical issue for the past century. The fact that the fluid can have interfacial structures adds additional complications and ambiguities to the problem. Here we report the use of molecular dynamics to identify from equilibrium thermal fluctuations the hydrodynamic modes in a fluid confined by solid walls, thereby extending the application of the fluctuation-dissipation theorem to yield not only the accurate location of the hydrodynamic boundary at the molecular scale, but also the relevant parameter value(s) for the description of the macroscopic boundary condition. We present molecular dynamics results on two examples to illustrate the application of this approach—one on the hydrophilic case and one on the hydrophobic case. It is shown that the use of the orthogonality condition of the modes can uniquely locate the hydrodynamic boundary to be inside the fluid in both cases, separated from the molecular solid-liquid interface by a small distance Δ that is a few molecules in size. The eigenvalue equation of the hydrodynamic modes directly yields the slip length, which is about equal to Δ in the hydrophilic case but is larger than Δ in the hydrophobic case. From the decay time we also obtain the bulk viscosity which is in good agreement with the value obtained from dynamic simulations. To complete the picture, we derive the Green-Kubo relation for a finite fluid system and show that the boundary fluctuations decouple from the bulk only in the infinite-fluid-channel limit; and in that limit we recover the interfacial fluctuation-dissipation theorem first presented by Bocquet and Barrat. The coupling between the bulk and the boundary fluctuations provides both the justification and the reason for the effectiveness of the present approach, which promises broad utility for probing the hydrodynamic boundary conditions relevant to structured or elastic interfaces, as well as

  7. Optical tweezers manipulation of colloids and biopolymers: non-equilibrium processes

    NASA Astrophysics Data System (ADS)

    Wang, G. M.; Sevick, E. M.

    2008-08-01

    The Fluctuation Theorems (FTs) of Evans & Searles and of Crooks are fundamental theorems of modern thermodynamics that have been suggested to be of practical use to scientists and engineers. Non-equilibrium processes with energy fluctuations on the order of thermal energy, κBT, are described by the FTs; examples include the stretching of a DNA molecule, the localisation of a colloidal particle in an optical trap of changing strength, and translation of an optically trapped colloidal particle. If the path or process is traversed over long times or the system is sufficiently large that it can be considered in the classical, thermodynamic limit, then, in principle, there is only one value of the energy characterising the path. However, for small systems, there exists a distribution of energy values and this distribution is associated with non-equilibrium fluctuations of the system that do not average out over short time. The FT of Evans & Searles, as well as the FT of Crooks (from which the Jarzynski relation is derived), describe the symmetry of this energy distribution about zero. This distribution is inherent to the dynamics of small systems, such as nano-machines and single molecular motors. In this paper we present the FTs in a single unified language, considering that the work done on the system is either purely dissipative, achieves a change in thermodynamic state of the system, or a combination of these. We demonstrate this with a single colloidal particle in an optical trap and a single DNA molecule stretched in an OT experiment.

  8. Colloquium: Homochirality: Symmetry breaking in systems driven far from equilibrium

    NASA Astrophysics Data System (ADS)

    Saito, Yukio; Hyuga, Hiroyuki

    2013-04-01

    Subsequent to the discovery of chirality of organic molecules by Pasteur, living organisms have been found to utilize biomolecules of only one handedness. The origin of this homochirality in life still remains unknown. It is believed that homochirality is attained in two stages: the initial creation of a chirality bias and its subsequent amplification to pure chirality. In the last two decades, two novel experiments have established the second stage in different fields: Soai and co-workers achieved the amplification of enantiomeric excess in the production of chiral organic molecules, and Viedma obtained homochirality in the solution growth of sodium chlorate crystals. These experiments are explained by a theory with a nonlinear evolution equation for the chiral order parameter; nonlinear processes in reactions or in crystal growth induce enantiomeric excess amplification, and the recycling of achiral elements ensures homochirality. Recycling drives the system to a state far from equilibrium with a free energy higher than that of the equilibrium state.

  9. Equilibrium temperature in a clump of bacteria heated in fluid.

    PubMed Central

    Davey, K R

    1990-01-01

    A theoretical model was developed and used to estimate quantitatively the "worst case", i.e., the longest, time to reach equilibrium temperature in the center of a clump of bacteria heated in fluid. For clumps with 10 to 10(6) cells heated in vapor, such as dry and moist air, and liquid fluids such as purees and juices, predictions show that temperature equilibrium will occur with sterilization temperatures up to 130 degrees C in under 0.02 s. Model development highlighted that the controlling influence on time for heating up the clump is the surface convection thermal resistance and that the internal conduction resistance of the clump mass is negligible by comparison. The time for a clump to reach equilibrium sterilization temperature was therefore decreased with relative turbulence (velocity) of the heating fluid, such as occurs in many process operations. These results confirm widely held suppositions that the heat-up time of bacteria in vapor or liquid is not significant with usual sterilization times. PMID:2306095

  10. Kinetics of faceting of crystals in growth, etching, and equilibrium

    NASA Astrophysics Data System (ADS)

    Vlachos, D. G.; Schmidt, L. D.; Aris, R.

    1993-03-01

    The faceting of crystals in equilibrium with the gas phase and also during crystal growth and etching conditions is studied using the Monte Carlo method. The dynamics of the transformation of unstable crystallographic orientations into hill and valley structures and the spatial patterns that develop are examined as functions of surface temperature, crystallographic orientation, and strength of interatomic potential for two transport processes: adsorption-desorption and surface diffusion. The results are compared with the continuum theory for facet formation. Thermodynamically unstable orientations break into hill and valley structures, and faceting exhibits three time regimes: disordering, facet nucleation, and coarsening of small facets to large facets. Faceting is accelerated as temperature increases, but thermal roughening can occur at high temperatures. Surface diffusion is the dominant mechanism at short times and small facets but adsorption-desorption becomes important at long times and large facets. Growth and etching promote faceting for conditions close to equilibrium but induce kinetic roughening for conditions far from equilibrium. Simultaneous irreversible growth and etching conditions with fast surface diffusion result in enhanced faceting.

  11. NON-EQUILIBRIUM ELECTRONS IN THE OUTSKIRTS OF GALAXY CLUSTERS

    SciTech Connect

    Avestruz, Camille; Nagai, Daisuke; Lau, Erwin T.; Nelson, Kaylea E-mail: camille.avestruz@yale.edu

    2015-08-01

    The analysis of X-ray and Sunyaev–Zel’dovich measurements of the intracluster medium (ICM) assumes that electrons are in thermal equilibrium with ions in the plasma. However, in the outskirts of galaxy clusters, the electron–ion equilibration timescale can become comparable to the Hubble time, leading to systematic biases in cluster mass estimates and mass-observable scaling relations. To quantify an upper limit of the impact of non-equilibrium electrons, we use a mass-limited sample of simulated galaxy clusters taken from a cosmological simulation with a two-temperature model that assumes the Spitzer equilibration time for the electrons and ions. We show that the temperature bias is more pronounced in more massive and rapidly accreting clusters. For the most extreme case, we find that the bias is of the order of 10% at half of the cluster virial radius and increases to 40% at the edge of the cluster. Gas in filaments is less susceptible to the non-equilibrium effect, leading to azimuthal variations in the temperature bias at large cluster-centric radii. Using mock Chandra observations of simulated clusters, we show that the bias manifests in ultra-deep X-ray observations of cluster outskirts and quantify the resulting biases in hydrostatic mass and cluster temperature derived from these observations. We provide a mass-dependent fitting function for the temperature bias profile, which can be useful for modeling the effect of electron-ion equilibration in galaxy clusters.

  12. Far from Equilibrium: The Gas Pendulum.

    ERIC Educational Resources Information Center

    Soltzberg, Leonard J.

    1986-01-01

    Discusses the importance of studying the far-from-equilibrium phenomena in college chemistry. Presents a system using the gas pendulum which displays all of the essential characteristics of dissipative systems. Promotes the use of the gas pendulum as a teaching example of a nonlinear far-from-equilibrium process. (TW)

  13. Equilibrium Tail Distribution Due to Touschek Scattering

    SciTech Connect

    Nash,B.; Krinsky, S.

    2009-05-04

    Single large angle Coulomb scattering is referred to as Touschek scattering. In addition to causing particle loss when the scattered particles are outside the momentum aperture, the process also results in a non-Gaussian tail, which is an equilibrium between the Touschek scattering and radiation damping. Here we present an analytical calculation for this equilibrium distribution.

  14. Quantum Thermal Transistor.

    PubMed

    Joulain, Karl; Drevillon, Jérémie; Ezzahri, Younès; Ordonez-Miranda, Jose

    2016-05-20

    We demonstrate that a thermal transistor can be made up with a quantum system of three interacting subsystems, coupled to a thermal reservoir each. This thermal transistor is analogous to an electronic bipolar one with the ability to control the thermal currents at the collector and at the emitter with the imposed thermal current at the base. This is achieved by determining the heat fluxes by means of the strong-coupling formalism. For the case of three interacting spins, in which one of them is coupled to the other two, that are not directly coupled, it is shown that high amplification can be obtained in a wide range of energy parameters and temperatures. The proposed quantum transistor could, in principle, be used to develop devices such as a thermal modulator and a thermal amplifier in nanosystems.

  15. Quantum Thermal Transistor

    NASA Astrophysics Data System (ADS)

    Joulain, Karl; Drevillon, Jérémie; Ezzahri, Younès; Ordonez-Miranda, Jose

    2016-05-01

    We demonstrate that a thermal transistor can be made up with a quantum system of three interacting subsystems, coupled to a thermal reservoir each. This thermal transistor is analogous to an electronic bipolar one with the ability to control the thermal currents at the collector and at the emitter with the imposed thermal current at the base. This is achieved by determining the heat fluxes by means of the strong-coupling formalism. For the case of three interacting spins, in which one of them is coupled to the other two, that are not directly coupled, it is shown that high amplification can be obtained in a wide range of energy parameters and temperatures. The proposed quantum transistor could, in principle, be used to develop devices such as a thermal modulator and a thermal amplifier in nanosystems.

  16. Implementing an Equilibrium Law Teaching Sequence for Secondary School Students to Learn Chemical Equilibrium

    ERIC Educational Resources Information Center

    Ghirardi, Marco; Marchetti, Fabio; Pettinari, Claudio; Regis, Alberto; Roletto, Ezio

    2015-01-01

    A didactic sequence is proposed for the teaching of chemical equilibrium law. In this approach, we have avoided the kinetic derivation and the thermodynamic justification of the equilibrium constant. The equilibrium constant expression is established empirically by a trial-and-error approach. Additionally, students learn to use the criterion of…

  17. Disturbances in equilibrium function after major earthquake

    NASA Astrophysics Data System (ADS)

    Honma, Motoyasu; Endo, Nobutaka; Osada, Yoshihisa; Kim, Yoshiharu; Kuriyama, Kenichi

    2012-10-01

    Major earthquakes were followed by a large number of aftershocks and significant outbreaks of dizziness occurred over a large area. However it is unclear why major earthquake causes dizziness. We conducted an intergroup trial on equilibrium dysfunction and psychological states associated with equilibrium dysfunction in individuals exposed to repetitive aftershocks versus those who were rarely exposed. Greater equilibrium dysfunction was observed in the aftershock-exposed group under conditions without visual compensation. Equilibrium dysfunction in the aftershock-exposed group appears to have arisen from disturbance of the inner ear, as well as individual vulnerability to state anxiety enhanced by repetitive exposure to aftershocks. We indicate potential effects of autonomic stress on equilibrium function after major earthquake. Our findings may contribute to risk management of psychological and physical health after major earthquakes with aftershocks, and allow development of a new empirical approach to disaster care after such events.

  18. Probing local equilibrium in nonequilibrium fluids.

    PubMed

    del Pozo, J J; Garrido, P L; Hurtado, P I

    2015-08-01

    We use extensive computer simulations to probe local thermodynamic equilibrium (LTE) in a quintessential model fluid, the two-dimensional hard-disks system. We show that macroscopic LTE is a property much stronger than previously anticipated, even in the presence of important finite-size effects, revealing a remarkable bulk-boundary decoupling phenomenon in fluids out of equilibrium. This allows us to measure the fluid's equation of state in simulations far from equilibrium, with an excellent accuracy comparable to the best equilibrium simulations. Subtle corrections to LTE are found in the fluctuations of the total energy which strongly point to the nonlocality of the nonequilibrium potential governing the fluid's macroscopic behavior out of equilibrium.

  19. Leader as achiever.

    PubMed

    Dienemann, Jacqueline

    2002-01-01

    This article examines one outcome of leadership: productive achievement. Without achievement one is judged to not truly be a leader. Thus, the ideal leader must be a visionary, a critical thinker, an expert, a communicator, a mentor, and an achiever of organizational goals. This article explores the organizational context that supports achievement, measures of quality nursing care, fiscal accountability, leadership development, rewards and punishments, and the educational content and teaching strategies to prepare graduates to be achievers.

  20. Off-equilibrium photon production during the chiral phase transition

    SciTech Connect

    Michler, Frank; Hees, Hendrik van; Dietrich, Dennis D.; Leupold, Stefan; Greiner, Carsten

    2013-09-15

    In the early stage of ultrarelativistic heavy-ion collisions chiral symmetry is restored temporarily. During this so-called chiral phase transition, the quark masses change from their constituent to their bare values. This mass shift leads to the spontaneous non-perturbative creation of quark–antiquark pairs, which effectively contributes to the formation of the quark–gluon plasma. We investigate the photon production induced by this creation process. We provide an approach that eliminates possible unphysical contributions from the vacuum polarization and renders the resulting photon spectra integrable in the ultraviolet domain. The off-equilibrium photon numbers are of quadratic order in the perturbative coupling constants while a thermal production is only of quartic order. Quantitatively, we find, however, that for the most physical mass-shift scenarios and for photon momenta larger than 1 GeV the off-equilibrium processes contribute less photons than the thermal processes. -- Highlights: •We investigate first-order photon emission arising from the chiral mass shift. •We provide an ansatz eliminating possible unphysical vacuum contributions. •Our ansatz leads to photon spectra being integrable in the ultraviolet domain.

  1. Warm-fluid description of intense beam equilibrium and electrostatic stability properties

    SciTech Connect

    Lund, S.M.; Davidson, R.C.

    1998-08-01

    A nonrelativistic warm-fluid model is employed in the electrostatic approximation to investigate the equilibrium and stability properties of an unbunched, continuously focused intense ion beam. A closed macroscopic model is obtained by truncating the hierarchy of moment equations by the assumption of negligible heat flow. Equations describing self-consistent fluid equilibria are derived and elucidated with examples corresponding to thermal equilibrium, the Kapchinskij{endash}Vladimirskij (KV) equilibrium, and the waterbag equilibrium. Linearized fluid equations are derived that describe the evolution of small-amplitude perturbations about an arbitrary equilibrium. Electrostatic stability properties are analyzed in detail for a cold beam with step-function density profile, and then for axisymmetric flute perturbations with {partial_derivative}/{partial_derivative}{theta}=0 and {partial_derivative}/{partial_derivative}z=0 about a warm-fluid KV beam equilibrium. The radial eigenfunction describing axisymmetric flute perturbations about the KV equilibrium is found to be {ital identical} to the eigenfunction derived in a full kinetic treatment. However, in contrast to the kinetic treatment, the warm-fluid model predicts stable oscillations. None of the instabilities that are present in a kinetic description are obtained in the fluid model. A careful comparison of the mode oscillation frequencies associated with the fluid and kinetic models is made in order to delineate which stability features of a KV beam are model-dependent and which may have general applicability. {copyright} {ital 1998 American Institute of Physics.}

  2. Turbulence Modeling Effects on the Prediction of Equilibrium States of Buoyant Shear Flows

    NASA Technical Reports Server (NTRS)

    Zhao, C. Y.; So, R. M. C.; Gatski, T. B.

    2001-01-01

    The effects of turbulence modeling on the prediction of equilibrium states of turbulent buoyant shear flows were investigated. The velocity field models used include a two-equation closure, a Reynolds-stress closure assuming two different pressure-strain models and three different dissipation rate tensor models. As for the thermal field closure models, two different pressure-scrambling models and nine different temperature variance dissipation rate, Epsilon(0) equations were considered. The emphasis of this paper is focused on the effects of the Epsilon(0)-equation, of the dissipation rate models, of the pressure-strain models and of the pressure-scrambling models on the prediction of the approach to equilibrium turbulence. Equilibrium turbulence is defined by the time rate (if change of the scaled Reynolds stress anisotropic tensor and heat flux vector becoming zero. These conditions lead to the equilibrium state parameters. Calculations show that the Epsilon(0)-equation has a significant effect on the prediction of the approach to equilibrium turbulence. For a particular Epsilon(0)-equation, all velocity closure models considered give an equilibrium state if anisotropic dissipation is accounted for in one form or another in the dissipation rate tensor or in the Epsilon(0)-equation. It is further found that the models considered for the pressure-strain tensor and the pressure-scrambling vector have little or no effect on the prediction of the approach to equilibrium turbulence.

  3. Historical Change of Equilibrium Water Temperature in Japan

    NASA Astrophysics Data System (ADS)

    Miyamoto, H.

    2015-12-01

    Changes in freshwater ecosystems due to a climate change have been great concern for sustainable river basin management both for water resources utilization and ecological conservation. However, their impact seems to be difficult to evaluate because of wide variety of basin characteristics along a river network both in nature and social environment. This presentation uses equilibrium water temperature as a simple criterion index for evaluating the long-term changes of stream thermal environment due to the historical climate change in Japan. It examines, at first, the relationship between the equilibrium water temperature and the stream temperature observed for 7 years at a lower reach in the Ibo River, Japan. It analyzes, then, the seasonal and regional trends of the equilibrium water temperature change for the last 50 years at 133 meteorological station sites throughout Japan, discussing their rising or falling characteristics. The correlation analysis at the local reach of the Ibo River shows that the equilibrium water temperature has similar trend of change as the stream temperature. However, its value tends to be higher than the stream temperature in summer, while lower in winter. The onset of the higher equilibrium water temperature fluctuates annually from mid February to early April. This onset fluctuation at each spring could be influenced by the different amount of snow at the antecedent winter. The rising or falling trends of the equilibrium water temperature are analyzed both annually and seasonally through the regression analysis of the 133 sites in Japan. Consequently, the trends of the temperature change could be categorized by 12 patterns. As for the seasonal analysis, the results shows that there are many sites indicating the falling trend in spring and summer, and rising trends in autumn and winter. In particular, winter has the strong rising tendency throughout Japan. As for the regional analysis, the result illustrates the precise rationality; e

  4. Out-of-equilibrium phenomena and Transport in Cold Atoms

    NASA Astrophysics Data System (ADS)

    Giamarchi, Thierry

    superfluidity and thermally activated transport which leads to a conductance minimum and poses several theoretical questions for its theoretical description. Work supported in part by Swiss NSF under division II and the ARO-MURI Non-equilibrium Many-body Dynamics Grant (W911NF-14-1-0003).

  5. Dynamic thermal environment and thermal comfort.

    PubMed

    Zhu, Y; Ouyang, Q; Cao, B; Zhou, X; Yu, J

    2016-02-01

    Research has shown that a stable thermal environment with tight temperature control cannot bring occupants more thermal comfort. Instead, such an environment will incur higher energy costs and produce greater CO2 emissions. Furthermore, this may lead to the degeneration of occupants' inherent ability to combat thermal stress, thereby weakening thermal adaptability. Measured data from many field investigations have shown that the human body has a higher acceptance to the thermal environment in free-running buildings than to that in air-conditioned buildings with similar average parameters. In naturally ventilated environments, occupants have reported superior thermal comfort votes and much greater thermal comfort temperature ranges compared to air-conditioned environments. This phenomenon is an integral part of the adaptive thermal comfort model. In addition, climate chamber experiments have proven that people prefer natural wind to mechanical wind in warm conditions; in other words, dynamic airflow can provide a superior cooling effect. However, these findings also indicate that significant questions related to thermal comfort remain unanswered. For example, what is the cause of these phenomena? How we can build a comfortable and healthy indoor environment for human beings? This article summarizes a series of research achievements in recent decades, tries to address some of these unanswered questions, and attempts to summarize certain problems for future research.

  6. Modelling transient heat conduction in solids at multiple length and time scales: A coupled non-equilibrium molecular dynamics/continuum approach

    SciTech Connect

    Jolley, Kenny; Gill, Simon P.A.

    2009-10-20

    A method for controlling the thermal boundary conditions of non-equilibrium molecular dynamics simulations is presented. The method is simple to implement into a conventional molecular dynamics code and independent of the atomistic model employed. It works by regulating the temperature in a thermostatted boundary region by feedback control to achieve the desired temperature at the edge of an inner region where the true atomistic dynamics are retained. This is necessary to avoid intrinsic boundary effects in non-equilibrium molecular dynamics simulations. Three thermostats are investigated: the global deterministic Nose-Hoover thermostat and two local stochastic thermostats, Langevin and stadium damping. The latter thermostat is introduced to avoid the adverse reflection of phonons that occurs at an abrupt interface. The method is then extended to allow atomistic/continuum models to be thermally coupled concurrently for the analysis of large steady state and transient heat conduction problems. The effectiveness of the algorithm is demonstrated for the example of heat flow down a three-dimensional atomistic rod of uniform cross-section subjected to a variety of boundary conditions.

  7. Physico-mechanical analysis data in support of compatibility of chitosan/κ-carrageenan polyelectrolyte films achieved by ascorbic acid, and the thermal degradation theory of κ-carrageenan influencing the properties of its blends.

    PubMed

    Shahbazi, Mahdiyar; Ettelaie, Rammile; Rajabzadeh, Ghadir

    2016-12-01

    This article presents the complementary data regarding compatibilization of chitosan/κ-carrageenan polyelectrolyte complex for synthesizing of a soft film using ascorbic acid. It includes the thermal-theory for estimating the degradation of κ-carrageenan, as reflected in alteration of the structural properties of the blend. The data has been provided to demonstrate that the blend solution based on chitosan, a polycation, and κ-carrageenan, a polyanion polymer, produces an incompatible polyelectrolyte composite, susceptible to coaservative phase separation. We present further data on water resistance, water barrier property, mechanical parameters, scanning electron micrograph, as well as contact angle image dataset of the chitosan/κ-carrageenan film. The physical data were collected by water solubility and water permeability assays, with a view to elucidate the role of ascorbic acid in the compatibility of polyelectrolyte blends. The mechanical data is obtained from a stress-strain curve for evaluation of tensile strength and elongation at break point of the chitosan/κ-carrageenan film. The microstructure observations were performed using scanning electron micrograph. These dataset confirm fabrication of a soft film in the presence of ascorbic acid, with reduced heterogeneities in the polyelectrolyte film structure. The κ-carrageenan was also treated by a thermal process, prior to inclusion into the chitosan solution, to investigate the impact of this on the mechanical and structural features of the resulting blend. We present the required data and the theoretical analysis supporting the thermal chain degradation of a polymer and its effects on behavior of the film. Additional information, characterizing the hydrophobicity of the surface of the blend layers is obtained by measuring water contact angles using a contact anglemeter.

  8. Mechanism for thermal relic dark matter of strongly interacting massive particles.

    PubMed

    Hochberg, Yonit; Kuflik, Eric; Volansky, Tomer; Wacker, Jay G

    2014-10-24

    We present a new paradigm for achieving thermal relic dark matter. The mechanism arises when a nearly secluded dark sector is thermalized with the standard model after reheating. The freeze-out process is a number-changing 3→2 annihilation of strongly interacting massive particles (SIMPs) in the dark sector, and points to sub-GeV dark matter. The couplings to the visible sector, necessary for maintaining thermal equilibrium with the standard model, imply measurable signals that will allow coverage of a significant part of the parameter space with future indirect- and direct-detection experiments and via direct production of dark matter at colliders. Moreover, 3→2 annihilations typically predict sizable 2→2 self-interactions which naturally address the "core versus cusp" and "too-big-to-fail" small-scale structure formation problems.

  9. Impact of torsion and stretching on the thermal conductivity of polyethylene strands

    NASA Astrophysics Data System (ADS)

    Tu, Runchun; Liao, Quanwen; Zeng, Lingping; Liu, Zhichun; Liu, Wei

    2017-03-01

    A single polyethylene chain was reported to have a high metal-like thermal conductivity (TC), which stands in sharp contrast to the thermally insulating feature of common bulk polyethylene materials. This work numerically investigates the impact of torsion and stretching on the TC of polyethylene strands by using equilibrium molecular dynamics simulations. The simulation results show that torsion slightly reduces the TC of a single polyethylene chain. In contrast, the heat conduction of polyethylene strands could be slightly enhanced under torsional loading with a specific torsional angle. Particularly, an apparent improvement of TC of polyethylene strands is achieved by combining torsion and stretching functions. It is found that the TC of torsional polyethylene strands is sensitive to torsional patterns. Our study proposes a specific torsional pattern of polyethylene strands that significantly enhances the heat conduction of the original counterpart. This study will play an essential role in guiding the improvements of thermal conduction property of polymers.

  10. Thermal energy in Robertson-Walker universes

    NASA Astrophysics Data System (ADS)

    Ruiz, Fernando Ruiz

    1989-03-01

    The covariant functional Schrödinger formalism is used to study thermal equilibrium for a scalar field in Robertson-Walker spacetimes. It is found that thermal equilibrium can be maintained for field masses, coupling constants and geometries satisfying a given differential equation, of which the massless conformally coupled case is a solution, but not the only one. The thermal energy is computed; it contains a term which for particular geometries, such as de Sitter spacetime, grows in time. On leave of absence from Departamento de Física Teórica, Universidad Complutense, 28040 Madrid 3, Spain.

  11. Battery Pack Thermal Design

    SciTech Connect

    Pesaran, Ahmad

    2016-06-14

    This presentation describes the thermal design of battery packs at the National Renewable Energy Laboratory. A battery thermal management system essential for xEVs for both normal operation during daily driving (achieving life and performance) and off-normal operation during abuse conditions (achieving safety). The battery thermal management system needs to be optimized with the right tools for the lowest cost. Experimental tools such as NREL's isothermal battery calorimeter, thermal imaging, and heat transfer setups are needed. Thermal models and computer-aided engineering tools are useful for robust designs. During abuse conditions, designs should prevent cell-to-cell propagation in a module/pack (i.e., keep the fire small and manageable). NREL's battery ISC device can be used for evaluating the robustness of a module/pack to cell-to-cell propagation.

  12. SRB thermal curtain design support

    NASA Technical Reports Server (NTRS)

    Dixon, Carl A.; Lundblad, Wayne E.; Koenig, John R.

    1992-01-01

    Improvements in SRB Thermal Curtain were identified by thermal design featuring: selection of materials capable of thermal protection and service temperatures by tri-layering quartz, S2 glass, and Kevlar in thinner cross section; weaving in single piece (instead of 24 sections) to achieve improved strength; and weaving to reduce manufacturing cost with angle interlock construction.

  13. SRB thermal curtain design support

    NASA Astrophysics Data System (ADS)

    Dixon, Carl A.; Lundblad, Wayne E.; Koenig, John R.

    1992-11-01

    Improvements in SRB Thermal Curtain were identified by thermal design featuring: selection of materials capable of thermal protection and service temperatures by tri-layering quartz, S2 glass, and Kevlar in thinner cross section; weaving in single piece (instead of 24 sections) to achieve improved strength; and weaving to reduce manufacturing cost with angle interlock construction.

  14. Local Nash equilibrium in social networks.

    PubMed

    Zhang, Yichao; Aziz-Alaoui, M A; Bertelle, Cyrille; Guan, Jihong

    2014-08-29

    Nash equilibrium is widely present in various social disputes. As of now, in structured static populations, such as social networks, regular, and random graphs, the discussions on Nash equilibrium are quite limited. In a relatively stable static gaming network, a rational individual has to comprehensively consider all his/her opponents' strategies before they adopt a unified strategy. In this scenario, a new strategy equilibrium emerges in the system. We define this equilibrium as a local Nash equilibrium. In this paper, we present an explicit definition of the local Nash equilibrium for the two-strategy games in structured populations. Based on the definition, we investigate the condition that a system reaches the evolutionary stable state when the individuals play the Prisoner's dilemma and snow-drift game. The local Nash equilibrium provides a way to judge whether a gaming structured population reaches the evolutionary stable state on one hand. On the other hand, it can be used to predict whether cooperators can survive in a system long before the system reaches its evolutionary stable state for the Prisoner's dilemma game. Our work therefore provides a theoretical framework for understanding the evolutionary stable state in the gaming populations with static structures.

  15. Artificial Quantum Thermal Bath

    NASA Astrophysics Data System (ADS)

    Shabani, Alireza; Neven, Hartmut

    In this talk, we present a theory for engineering the temperature of a quantum system different from its ambient temperature, that is basically an analog version of the quantum metropolis algorithm. We define criteria for an engineered quantum bath that, when couples to a quantum system with Hamiltonian H, drives the system to the equilibrium state e/- H / T Tr (e - H / T) with a tunable parameter T. For a system of superconducting qubits, we propose a circuit-QED approximate realization of such an engineered thermal bath consisting of driven lossy resonators. We consider an artificial thermal bath as a simulator for many-body physics or a controllable temperature knob for a hybrid quantum-thermal annealer.

  16. Comparing Science Achievement Constructs: Targeted and Achieved

    ERIC Educational Resources Information Center

    Ferrara, Steve; Duncan, Teresa

    2011-01-01

    This article illustrates how test specifications based solely on academic content standards, without attention to other cognitive skills and item response demands, can fall short of their targeted constructs. First, the authors inductively describe the science achievement construct represented by a statewide sixth-grade science proficiency test.…

  17. Which Achievement Gap?

    ERIC Educational Resources Information Center

    Anderson, Sharon; Medrich, Elliott; Fowler, Donna

    2007-01-01

    From the halls of Congress to the local elementary school, conversations on education reform have tossed around the term "achievement gap" as though people all know precisely what that means. As it's commonly used, "achievement gap" refers to the differences in scores on state or national achievement tests between various…

  18. The Conceptual Change Approach to Teaching Chemical Equilibrium

    ERIC Educational Resources Information Center

    Canpolat, Nurtac; Pinarbasi, Tacettin; Bayrakceken, Samih; Geban, Omer

    2006-01-01

    This study investigates the effect of a conceptual change approach over traditional instruction on students' understanding of chemical equilibrium concepts (e.g. dynamic nature of equilibrium, definition of equilibrium constant, heterogeneous equilibrium, qualitative interpreting of equilibrium constant, changing the reaction conditions). This…

  19. Real Time Computation of Kinetic Constraints to Support Equilibrium Reconstruction

    NASA Astrophysics Data System (ADS)

    Eggert, W. J.; Kolemen, E.; Eldon, D.

    2016-10-01

    A new method for quickly and automatically applying kinetic constraints to EFIT equilibrium reconstructions using readily available data is presented. The ultimate goal is to produce kinetic equilibrium reconstructions in real time and use them to constrain the DCON stability code as part of a disruption avoidance scheme. A first effort presented here replaces CPU-time expensive modules, such as the fast ion pressure profile calculation, with a simplified model. We show with a DIII-D database analysis that we can achieve reasonable predictions for selected applications by modeling the fast ion pressure profile and determining the fit parameters as functions of easily measured quantities including neutron rate and electron temperature on axis. Secondly, we present a strategy for treating Thomson scattering and Charge Exchange Recombination data to automatically form constraints for a kinetic equilibrium reconstruction, a process that historically was performed by hand. Work supported by US DOE DE-AC02-09CH11466 and DE-FC02-04ER54698.

  20. Holographic thermalization from nonrelativistic branes

    NASA Astrophysics Data System (ADS)

    Roychowdhury, Dibakar

    2016-05-01

    In this paper, based on the fundamental principles of gauge/gravity duality and considering a global quench, we probe the physics of thermalization for certain special classes of strongly coupled nonrelativistic quantum field theories that are dual to an asymptotically Schrödinger D p brane space time. In our analysis, we note that during the prelocal stages of the thermal equilibrium the entanglement entropy has a faster growth in time compared to its relativistic cousin. However, it shows a linear growth during the postlocal stages of thermal equilibrium where the so-called tsunami velocity associated with the linear growth of the entanglement entropy saturates to that of its value corresponding to the relativistic scenario. Finally, we explore the saturation region and it turns out that one must constraint certain parameters of the theory in a specific way in order to have discontinuous transitions at the point of saturation.

  1. Radiative-dynamical equilibrium states for Jupiter

    NASA Technical Reports Server (NTRS)

    Trafton, L. M.; Stone, P. H.

    1974-01-01

    In order to obtain accurate estimates of the radiative heating that drives motions in Jupiter's atmosphere, previous radiative equilibrium calculations are improved by including the NH3 opacities and updated results for the pressure-induced opacities. These additions increase the radiative lapse rate near the top of the statically unstable region and lead to a fairly constant radiative lapse rate below the tropopause. The radiative-convective equilibrium temperature structure consistent with these changes is calculated, but it differs only slightly from earlier calculations. The radiative equilibrium calculations are used to calculate whether equilibrium states can occur on Jupiter which are similar to the baroclinic instability regimes on the earth and Mars. The results show that Jupiter's dynamical regime cannot be of this kind, except possibly at very high latitudes, and that its regime must be a basically less stable one than this kind.

  2. Rapid Equilibrium-Ordered Enzyme Mechanisms.

    ERIC Educational Resources Information Center

    Chauncey, Thomas R.; And Others

    1985-01-01

    Discusses: (1) characteristic initial velocity behavior (considering the five-step reaction sequence for rapid equilibrium-order bisubstrate mechanisms); (2) dead-end inhibition; (3) inhibition by single products; and (4) an activator as a leading reactant. (JN)

  3. Stochastic approach to equilibrium and nonequilibrium thermodynamics.

    PubMed

    Tomé, Tânia; de Oliveira, Mário J

    2015-04-01

    We develop the stochastic approach to thermodynamics based on stochastic dynamics, which can be discrete (master equation) and continuous (Fokker-Planck equation), and on two assumptions concerning entropy. The first is the definition of entropy itself and the second the definition of entropy production rate, which is non-negative and vanishes in thermodynamic equilibrium. Based on these assumptions, we study interacting systems with many degrees of freedom in equilibrium or out of thermodynamic equilibrium and how the macroscopic laws are derived from the stochastic dynamics. These studies include the quasiequilibrium processes; the convexity of the equilibrium surface; the monotonic time behavior of thermodynamic potentials, including entropy; the bilinear form of the entropy production rate; the Onsager coefficients and reciprocal relations; and the nonequilibrium steady states of chemical reactions.

  4. Changes in the Chemical Composition and Decay Resistance of Thermally-Modified Hevea brasiliensis Wood

    PubMed Central

    2016-01-01

    In this study the effect of thermal treatment on the equilibrium moisture content, chemical composition and biological resistance to decay fungi of juvenile and mature Hevea brasiliensis wood (rubber wood) was evaluated. Samples were taken from a 53-year-old rubber wood plantation located in Tabapuã, Sao Paulo, Brazil. The samples were thermally-modified at 180°C, 200°C and 220°C. Results indicate that the thermal modification caused: (1) a significant increase in the extractive content and proportional increase in the lignin content at 220°C; (2) a significant decrease in the equilibrium moisture content, holocelluloses, arabinose, galactose and xylose content, but no change in glucose content; and (3) a significant increase in wood decay resistance against both Pycnoporus sanguineus (L.) Murrill and Gloeophyllum trabeum (Pers.) Murrill decay fungi. The greatest decay resistance was achieved from treatment at 220°C which resulted in a change in wood decay resistance class from moderately resistant to resistant. Finally, this study also demonstrated that the influence of thermal treatment in mature wood was lower than in juvenile wood. PMID:26986200

  5. Changes in the Chemical Composition and Decay Resistance of Thermally-Modified Hevea brasiliensis Wood.

    PubMed

    Severo, Elias Taylor Durgante; Calonego, Fred Willians; Sansígolo, Cláudio Angeli; Bond, Brian

    2016-01-01

    In this study the effect of thermal treatment on the equilibrium moisture content, chemical composition and biological resistance to decay fungi of juvenile and mature Hevea brasiliensis wood (rubber wood) was evaluated. Samples were taken from a 53-year-old rubber wood plantation located in Tabapuã, Sao Paulo, Brazil. The samples were thermally-modified at 180°C, 200°C and 220°C. Results indicate that the thermal modification caused: (1) a significant increase in the extractive content and proportional increase in the lignin content at 220°C; (2) a significant decrease in the equilibrium moisture content, holocelluloses, arabinose, galactose and xylose content, but no change in glucose content; and (3) a significant increase in wood decay resistance against both Pycnoporus sanguineus (L.) Murrill and Gloeophyllum trabeum (Pers.) Murrill decay fungi. The greatest decay resistance was achieved from treatment at 220°C which resulted in a change in wood decay resistance class from moderately resistant to resistant. Finally, this study also demonstrated that the influence of thermal treatment in mature wood was lower than in juvenile wood.

  6. Equilibrium capillary forces with atomic force microscopy.

    PubMed

    Sprakel, J; Besseling, N A M; Leermakers, F A M; Cohen Stuart, M A

    2007-09-07

    We present measurements of equilibrium forces resulting from capillary condensation. The results give access to the ultralow interfacial tensions between the capillary bridge and the coexisting bulk phase. We demonstrate this with solutions of associative polymers and an aqueous mixture of gelatin and dextran, with interfacial tensions around 10 microN/m. The equilibrium nature of the capillary forces is attributed to the combination of a low interfacial tension and a microscopic confinement geometry, based on nucleation and growth arguments.

  7. Edge Equilibrium Code (EEC) For Tokamaks

    SciTech Connect

    Li, Xujling

    2014-02-24

    The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids

  8. Approaches to the Treatment of Equilibrium Perturbations

    NASA Astrophysics Data System (ADS)

    Canagaratna, Sebastian G.

    2003-10-01

    Perturbations from equilibrium are treated in the textbooks by a combination of Le Châtelier's principle, the comparison of the equilibrium constant K with the reaction quotient Q,and the kinetic approach. Each of these methods is briefly reviewed. This is followed by derivations of the variation of the equilibrium value of the extent of reaction, ξeq, with various parameters on which it depends. Near equilibrium this relationship can be represented by a straight line. The equilibrium system can be regarded as moving on this line as the parameter is varied. The slope of the line depends on quantities like enthalpy of reaction, volume of reaction and so forth. The derivation shows that these quantities pertain to the equilibrium system, not the standard state. Also, the derivation makes clear what kind of assumptions underlie our conclusions. The derivation of these relations involves knowledge of thermodynamics that is well within the grasp of junior level physical chemistry students. The conclusions that follow from the derived relations are given as subsidiary rules in the form of the slope of ξeq, with T, p, et cetera. The rules are used to develop a visual way of predicting the direction of shift of a perturbed system. This method can be used to supplement one of the other methods even at the introductory level.

  9. Inferring unstable equilibrium configurations from experimental data

    NASA Astrophysics Data System (ADS)

    Virgin, L. N.; Wiebe, R.; Spottswood, S. M.; Beberniss, T.

    2016-09-01

    This research considers the structural behavior of slender, mechanically buckled beams and panels of the type commonly found in aerospace structures. The specimens were deflected and then clamped in a rigid frame in order to exhibit snap-through. That is, the initial equilibrium and the buckled (snapped-through) equilibrium configurations both co-existed for the given clamped conditions. In order to transit between these two stable equilibrium configurations (for example, under the action of an externally applied load), it is necessary for the structural component to pass through an intermediate unstable equilibrium configuration. A sequence of sudden impacts was imparted to the system, of various strengths and at various locations. The goal of this impact force was to induce relatively intermediate-sized transients that effectively slowed-down in the vicinity of the unstable equilibrium configuration. Thus, monitoring the velocity of the motion, and specifically its slowing down, should give an indication of the presence of an equilibrium configuration, even though it is unstable and not amenable to direct experimental observation. A digital image correlation (DIC) system was used in conjunction with an instrumented impact hammer to track trajectories and statistical methods used to infer the presence of unstable equilibria in both a beam and a panel.

  10. Under What Conditions Can Equilibrium Gas-Particle Partitioning Be Expected to Hold in the Atmosphere?

    PubMed

    Mai, Huajun; Shiraiwa, Manabu; Flagan, Richard C; Seinfeld, John H

    2015-10-06

    The prevailing treatment of secondary organic aerosol formation in atmospheric models is based on the assumption of instantaneous gas-particle equilibrium for the condensing species, yet compelling experimental evidence indicates that organic aerosols can exhibit the properties of highly viscous, semisolid particles, for which gas-particle equilibrium may be achieved slowly. The approach to gas-particle equilibrium partitioning is controlled by gas-phase diffusion, interfacial transport, and particle-phase diffusion. Here we evaluate the controlling processes and the time scale to achieve gas-particle equilibrium as a function of the volatility of the condensing species, its surface accommodation coefficient, and its particle-phase diffusivity. For particles in the size range of typical atmospheric organic aerosols (∼50-500 nm), the time scale to establish gas-particle equilibrium is generally governed either by interfacial accommodation or particle-phase diffusion. The rate of approach to equilibrium varies, depending on whether the bulk vapor concentration is constant, typical of an open system, or decreasing as a result of condensation into the particles, typical of a closed system.

  11. Emission properties of non-equilibrium krypton plasma in the water-window region

    NASA Astrophysics Data System (ADS)

    Zakharov, Vassily S.

    2017-01-01

    The line emission properties of non-equilibrium krypton plasma are examined and the optimal emission temperature conditions for soft x-ray emission output in the water-window region are explored. The kinetic parameters for non-equilibrium plasma including major inelastic ion interaction processes, radiation and emission data are obtained with an approach based on the Hartree-Fock-Slater (HFS) quantum-statistical model and a distorted wave approximation. A nonmaxwellian electron distribution is used as well for calculating collisional rates. At a temperature of 70 eV the emission spectral efficiency for Kr equilibrium plasma is about 10%, and it jumps to a value greater than 70% at 100 eV. A similar spectral efficiency is achieved at a lower temperature e.g. 80 eV in non-equilibrium plasma with 7.5 keV fast electron average energy.

  12. Equilibrium and Non-Equilibrium Condensation Phenomena in Tuneable 3D and 2D Bose Gases

    DTIC Science & Technology

    2016-04-01

    equilibrium and non-equilibrium many-body phenomena, trapping ultracold atomic gases in different geometries including both 3 and 2 spatial dimensions...box trap we created the world’s first atomic BEC in a quasi-uniform potential. 15. SUBJECT TERMS EOARD, Bose gas, ultracold, condensation, equilibrium... atom trap, Bose-Einstein condensate 16. SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT SAR 18. NUMBER OF PAGES 3 19a. NAME OF RESPONSIBLE

  13. Thermodynamic characterization of an equilibrium folding intermediate of staphylococcal nuclease.

    PubMed Central

    Xie, D.; Fox, R.; Freire, E.

    1994-01-01

    High-sensitivity differential scanning calorimetry and CD spectroscopy have been used to probe the structural stability and measure the folding/unfolding thermodynamics of a Pro117-->Gly variant of staphylococcal nuclease. It is shown that at neutral pH the thermal denaturation of this protein is well accounted for by a 2-state mechanism and that the thermally denatured state is a fully hydrated unfolded polypeptide. At pH 3.5, thermal denaturation results in a compact denatured state in which most, if not all, of the helical structure is missing and the beta subdomain apparently remains largely intact. At pH 3.0, no thermal transition is observed and the molecule exists in the compact denatured state within the 0-100 degrees C temperature interval. At high salt concentration and pH 3.5, the thermal unfolding transition exhibits 2 cooperative peaks in the heat capacity function, the first one corresponding to the transition from the native to the intermediate state and the second one to the transition from the intermediate to the unfolded state. As is the case with other proteins, the enthalpy of the intermediate is higher than that of the unfolded state at low temperatures, indicating that, under those conditions, its stabilization must be of an entropic origin. The folding intermediate has been modeled by structural thermodynamic calculations. Structure-based thermodynamic calculations also predict that the most probable intermediate is one in which the beta subdomain is essentially intact and the rest of the molecule unfolded, in agreement with the experimental data. The structural features of the equilibrium intermediate are similar to those of a kinetic intermediate previously characterized by hydrogen exchange and NMR spectroscopy. PMID:7756977

  14. Spacecraft Thermal Control

    NASA Technical Reports Server (NTRS)

    Birur, Gajanana C.; Siebes, Georg; Swanson, Theodore D.; Powers, Edward I. (Technical Monitor)

    2001-01-01

    Thermal control of the spacecraft is typically achieved by removing heat from the spacecraft parts that tend to overheat and adding heat to the parts that tend get too cold. The equipment on the spacecraft can get very hot if it is exposed to the sun or have internal heat generation. The pans also can get very cold if they are exposed to the cold of deep space. The spacecraft and instruments must be designed to achieve proper thermal balance. The combination of the spacecraft's external thermal environment, its internal heat generation (i.e., waste heat from the operation of electrical equipment), and radiative heat rejection will determine this thermal balance. It should also be noted that this is seldom a static situation, external environmental influences and internal heat generation are normally dynamic variables which change with time. Topics discussed include thermal control system components, spacecraft mission categories, spacecraft thermal requirements, space thermal environments, thermal control hardware, launch and flight operations, advanced technologies for future spacecraft,

  15. Effect of cooling rate on achieving thermodynamic equilibrium in uranium-plutonium mixed oxides

    NASA Astrophysics Data System (ADS)

    Vauchy, Romain; Belin, Renaud C.; Robisson, Anne-Charlotte; Hodaj, Fiqiri

    2016-02-01

    In situ X-ray diffraction was used to study the structural changes occurring in uranium-plutonium mixed oxides U1-yPuyO2-x with y = 0.15; 0.28 and 0.45 during cooling from 1773 K to room-temperature under He + 5% H2 atmosphere. We compare the fastest and slowest cooling rates allowed by our apparatus i.e. 2 K s-1 and 0.005 K s-1, respectively. The promptly cooled samples evidenced a phase separation whereas samples cooled slowly did not due to their complete oxidation in contact with the atmosphere during cooling. Besides the composition of the annealing gas mixture, the cooling rate plays a major role on the control of the Oxygen/Metal ratio (O/M) and then on the crystallographic properties of the U1-yPuyO2-x uranium-plutonium mixed oxides.

  16. Limitation of hardness from thermal water by means of nanofiltration.

    PubMed

    Tonko, Csilla Maria; Kiraly, Andras; Mizsey, Peter; Patzay, Gyorgy; Csefalvay, Edit

    2013-01-01

    Geothermal conditions are extremely favourable in Hungary. Thermal water is accessible in 70% of the territory of the country, with a lowest temperature of 30°C. For energetic purposes, it can be utilized in two different ways: for supplying heat or generating electricity. In relation to utilization, one of the most serious problems derives from the chemical composition of thermal water. The present paper investigates the opportunities of preventing scaling by nanofiltration. Experiments were performed on a Thin Film NF DK membrane, thermostated at 50°C and at a pressure of 3.5 MPa with four different samples (from four Hungarian cities - Eger, Mezőkövesd, Bogács, Miskolc-Tapolca) using batch plant. Reproducibility of experiments was also investigated using water samples from Komárom at 50 and 60°C. The results showed that NF DK could achieve high retention of divalent ions. The results of the second phase of the experiments proved that water flux and rejections were very stable. After filtration, the scaling properties of thermal water were simulated with the help of chemical equilibrium modelling software, called Visual MINTEQ 3.0. The results of the permeate samples prove that nanofiltration is a successful process in preventing scaling of thermal water for further use.

  17. Local thermodynamic equilibrium in rapidly heated high energy density plasmas

    SciTech Connect

    Aslanyan, V.; Tallents, G. J.

    2014-06-15

    Emission spectra and the dynamics of high energy density plasmas created by optical and Free Electron Lasers (FELs) depend on the populations of atomic levels. Calculations of plasma emission and ionization may be simplified by assuming Local Thermodynamic Equilibrium (LTE), where populations are given by the Saha-Boltzmann equation. LTE can be achieved at high densities when collisional processes are much more significant than radiative processes, but may not be valid if plasma conditions change rapidly. A collisional-radiative model has been used to calculate the times taken by carbon and iron plasmas to reach LTE at varying densities and heating rates. The effect of different energy deposition methods, as well as Ionization Potential Depression are explored. This work shows regimes in rapidly changing plasmas, such as those created by optical lasers and FELs, where the use of LTE is justified, because timescales for plasma changes are significantly longer than the times needed to achieve an LTE ionization balance.

  18. Currents and Green's functions of impurities out of equilibrium: Results from inchworm quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Antipov, Andrey E.; Dong, Qiaoyuan; Kleinhenz, Joseph; Cohen, Guy; Gull, Emanuel

    2017-02-01

    We generalize the recently developed inchworm quantum Monte Carlo method to the full Keldysh contour with forward, backward, and equilibrium branches to describe the dynamics of strongly correlated impurity problems with time-dependent parameters. We introduce a method to compute Green's functions, spectral functions, and currents for inchworm Monte Carlo and show how systematic error assessments in real time can be obtained. We then illustrate the capabilities of the algorithm with a study of the behavior of quantum impurities after an instantaneous voltage quench from a thermal equilibrium state.

  19. Exponential trend to equilibrium for the inelastic Boltzmann equation driven by a particle bath

    NASA Astrophysics Data System (ADS)

    Cañizo, José A.; Lods, Bertrand

    2016-05-01

    We consider the spatially homogeneous Boltzmann equation for inelastic hard spheres (with constant restitution coefficient α \\in (0,1) ) under the thermalization induced by a host medium with a fixed Maxwellian distribution. We prove that the solution to the associated initial-value problem converges exponentially fast towards the unique equilibrium solution. The proof combines a careful spectral analysis of the linearised semigroup as well as entropy estimates. The trend towards equilibrium holds in the weakly inelastic regime in which α is close to 1, and the rate of convergence is explicit and depends solely on the spectral gap of the elastic linear collision operator.

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

    NASA Astrophysics Data System (ADS)

    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

  1. On equilibrium structures of the water molecule

    NASA Astrophysics Data System (ADS)

    Császár, Attila G.; Czakó, Gábor; Furtenbacher, Tibor; Tennyson, Jonathan; Szalay, Viktor; Shirin, Sergei V.; Zobov, Nikolai F.; Polyansky, Oleg L.

    2005-06-01

    Equilibrium structures are fundamental entities in molecular sciences. They can be inferred from experimental data by complicated inverse procedures which often rely on several assumptions, including the Born-Oppenheimer approximation. Theory provides a direct route to equilibrium geometries. A recent high-quality ab initio semiglobal adiabatic potential-energy surface (PES) of the electronic ground state of water, reported by Polyansky et al. [Polyansky et al.Science 299, 539 (2003)] and called CVRQD here, is analyzed in this respect. The equilibrium geometries resulting from this direct route are deemed to be of higher accuracy than those that can be determined by analyzing experimental data. Detailed investigation of the effect of the breakdown of the Born-Oppenheimer approximation suggests that the concept of an isotope-independent equilibrium structure holds to about 3×10-5Å and 0.02° for water. The mass-independent [Born-Oppenheimer (BO)] equilibrium bond length and bond angle on the ground electronic state PES of water is reBO=0.95782Å and θeBO=104.485°, respectively. The related mass-dependent (adiabatic) equilibrium bond length and bond angle of H2O16 is read=0.95785Å and θead=104.500°, respectively, while those of D2O16 are read=0.95783Å and θead=104.490°. Pure ab initio prediction of J =1 and 2 rotational levels on the vibrational ground state by the CVRQD PESs is accurate to better than 0.002cm-1 for all isotopologs of water considered. Elaborate adjustment of the CVRQD PESs to reproduce all observed rovibrational transitions to better than 0.05cm-1 (or the lower ones to better than 0.0035cm-1) does not result in noticeable changes in the adiabatic equilibrium structure parameters. The expectation values of the ground vibrational state rotational constants of the water isotopologs, computed in the Eckart frame using the CVRQD PESs and atomic masses, deviate from the experimentally measured ones only marginally, especially for A0 and B0. The

  2. 'No delays achiever'.

    PubMed

    2007-05-01

    The latest version of the NHS Institute for Innovation and Improvement's 'no delays achiever', a web based tool created to help NHS organisations achieve the 18-week target for GP referrals to first treatment, is available at www.nodelaysachiever.nhs.uk.

  3. Vicarious Achievement Orientation.

    ERIC Educational Resources Information Center

    Leavitt, Harold J.; And Others

    This study tests hypotheses about achievement orientation, particularly vicarious achievement. Undergraduate students (N=437) completed multiple-choice questionnaires, indicating likely responses of one person to the success of another. The sex of succeeder and observer, closeness of relationship, and setting (medical school or graduate school of…

  4. Heritability of Creative Achievement

    ERIC Educational Resources Information Center

    Piffer, Davide; Hur, Yoon-Mi

    2014-01-01

    Although creative achievement is a subject of much attention to lay people, the origin of individual differences in creative accomplishments remain poorly understood. This study examined genetic and environmental influences on creative achievement in an adult sample of 338 twins (mean age = 26.3 years; SD = 6.6 years). Twins completed the Creative…

  5. Confronting the Achievement Gap

    ERIC Educational Resources Information Center

    Gardner, David

    2007-01-01

    This article talks about the large achievement gap between children of color and their white peers. The reasons for the achievement gap are varied. First, many urban minorities come from a background of poverty. One of the detrimental effects of growing up in poverty is receiving inadequate nourishment at a time when bodies and brains are rapidly…

  6. Achievement-Based Resourcing.

    ERIC Educational Resources Information Center

    Fletcher, Mike; And Others

    1992-01-01

    This collection of seven articles examines achievement-based resourcing (ABR), the concept that the funding of educational institutions should be linked to their success in promoting student achievement, with a focus on the application of ABR to postsecondary education in the United Kingdom. The articles include: (1) "Introduction" (Mick…

  7. States Address Achievement Gaps.

    ERIC Educational Resources Information Center

    Christie, Kathy

    2002-01-01

    Summarizes 2 state initiatives to address the achievement gap: North Carolina's report by the Advisory Commission on Raising Achievement and Closing Gaps, containing an 11-point strategy, and Kentucky's legislation putting in place 10 specific processes. The North Carolina report is available at www.dpi.state.nc.us.closingthegap; Kentucky's…

  8. Chemical zonation in garnet: kinetics or chemical equilibrium?

    NASA Astrophysics Data System (ADS)

    Ague, Jay; Chu, Xu; Axler, Jennifer

    2015-04-01

    Chemical zonation in garnet is widely used to reconstruct the pressure (P), temperature (T), time (t), and fluid (f) histories of mountain belts. Zonation is thought to result largely from changing P - T - t - f conditions during growth as well as post-growth intracrystalline diffusion. Chemical zonation is conventionally interpreted to mean that at least some of the garnet interior was out of chemical equilibrium with the matrix during metamorphism. In this case, thermally-activated diffusion in garnet is too slow to equalize chemical potentials. However, in their groundbreaking paper, Tajčmanová et al. (2014) postulate that in high-grade rocks, chemical zonation may actually reflect attainment of equilibrium. In this scenario, diffusion is fast but viscous relaxation is slow such that the zonation patterns directly mirror internal pressure gradients within garnet. Such zoning would likely be very different than typical concentric growth zonation. Furthermore, Baumgartner et al. (2010) hypothesize that given significant variations in the molar volumes of garnet endmembers, diffusional relaxation may produce internal pressure gradients if the garnet behaves as a near constant-volume system. Consequently, growth zoning could be preserved by pressure variations within the garnet that equalize chemical potentials and slow or stop diffusion (i.e., the garnet is chemically heterogeneous but maintains internal chemical equilibrium due to the pressure variations). This mechanism predicts that areas of garnet with small compositional contrasts would undergo more diffusional relaxation than areas with large contrasts. Moreover, generation of large internal pressure gradients approaching 1 GPa would be expected to induce deformation (e.g., fracturing) in regions of large compositional gradients. Strongly growth-zoned amphibolite facies garnet from the Barrovian zones, Scotland (Ague and Baxter, 2007) shows neither of these features. The sharp compositional gradients are

  9. The Equilibrium Between Titanium Ions and Titanium Metal in NaCl-KCl Equimolar Molten Salt

    NASA Astrophysics Data System (ADS)

    Wang, Qiuyu; Song, Jianxun; Hu, Guojing; Zhu, Xiaobo; Hou, Jungang; Jiao, Shuqiang; Zhu, Hongmin

    2013-08-01

    The equilibrium between metallic titanium and titanium ions, 3Ti2+ ⇌ 2Ti3+ + Ti, in NaCl-KCl equimolar molten salt was reevaluated. At a fixed temperature and an initial concentration of titanium chloride, the equilibrium was achieved by adding an excess amount of sponge titanium in assistant with bubbling of argon into the molten salt. The significance of this work is that the accurate concentrations of titanium ions have been obtained based on a reliable approach for taking samples. Furthermore, the equilibrium constant {{K}}_{{C}} = (x_{{{{Ti}}^{{ 3 { + }}} }}^{{eql}} )3 /(x_{{{{Ti}}^{{ 2 { + }}} }}^{{eql}} )2 was calculated through the best-fitting method under the consideration of the TiOCl dissolution. Indeed, the final results have disclosed that the stable value of KC could be achieved based on all modifications.

  10. Equilibrium studies on the formaldehyde reaction with native DNA.

    PubMed

    Shikama, K; Miura, K I

    1976-03-16

    Equilibrium analysis of the reaction of formaldehyde with native calf thymus DNA was carried out at temperatures below the thermal transition zone by the spectrophotometric method. The apparent equilibrium constant, Kconf., for the conformational opening and closing reaction of base pairs along the double-helical chain, was measured in various concentrations of formaldehyde, and these values were extrapolated to the zero concentration. The value of KOconf. thus obtained in the absence of the chemical probe was 0.12 in 5 mM 2-(N-morpholino)ethane sulfonic acid buffer (Mes), and 0.003 in 0.15 M NaCl plus 5 mM Mes, pH 7.0, at 50 degrees C. These results make it possible to calculate roughly that 230 base pairs and 7 base pairs are open respectively, at 50 degrees C in the native DNA molecule composed of 2300 base pairs, using Mr = 1.5 x 10(6) for the sample used. This conformational reaction was also characterized by the following thermodynamic parameters: deltaGOconf. = 1.36 kcal - mol-1 (5.68 kJ - mol-1), deltaHOconf. = 36.8 kcal - mol-1 (154 kJ - mol-1), and deltaSOconf. = 110 cal - mol-1 - K-1 (460 J - mol-1 - K-1) in 5 mM Mes, pH 7.0, at 50 degrees C, and the nature of the 'breathing' of base pairs was discussed.

  11. Non-equilibrium configurational Prigogine-Defay ratio

    NASA Astrophysics Data System (ADS)

    Garden, Jean-Luc; Guillou, Hervé; Richard, Jacques; Wondraczek, Lothar

    2012-06-01

    Classically, the Prigogine-Defay (PD) ratio involves differences in isobaric heat capacity, isothermal compressibility, and isobaric thermal expansion coefficient between a super-cooled liquid and the corresponding glass at the glass transition. However, determining such differences by extrapolation of coefficients that have been measured for super-cooled liquid and glassy state, respectively, poses the problem that it does not exactly take into account the non-equilibrium character of the glass transition. In this paper, we assess this question by taking into account the time dependence of configurational contributions to the three thermodynamic coefficients in the glass transition range upon varying temperature and/or pressure. Macroscopic non-equilibrium thermodynamics is applied to obtain a generalised form of the PD ratio. The classical PD ratio can then be taken as a particular case of this generalisation. Under some assumptions, the configurational PD ratio (CPD ratio) can be expressed in terms of fictive temperature and fictive pressure which, hence, provides another possibility to experimentally verify this formalism.

  12. Transport Coefficients for the NASA Lewis Chemical Equilibrium Program

    NASA Technical Reports Server (NTRS)

    Svehla, Roger A.

    1995-01-01

    The new transport property data that will be used in the NASA Lewis Research Center's Chemical Equilibrium and Applications Program (CEA) is presented. It complements a previous publication that documented the thermodynamic and transport property data then in use. Sources of the data and a brief description of the method by which the data were obtained are given. Coefficients to calculate the viscosity, thermal conductivity, and binary interactions are given for either one, or usually, two temperature intervals, typically 300 to 1000 K and 1000 to 5000 K. The form of the transport equation is the same as used previously. The number of species was reduced from the previous database. Many species for which the data were estimated were eliminated from the database. Some ionneutral interactions were added.

  13. Degenerate four-wave mixing in equilibrium argon arc plasma

    NASA Astrophysics Data System (ADS)

    Musiol, K.; Dzierzega, K.; Pawelec, E.; Pokrzywka, B.; Pellerin, S.; Labuz, S.

    1997-12-01

    The non-intrusive degenerate four-wave mixing (DFWM) method was used to study the local thermal equilibrium atmospheric-pressure argon arc plasma. The laser wavelength was in resonance with the 0022-3727/30/24/013/img10 - 0022-3727/30/24/013/img11 ArI transition, corresponding to the 696.5 nm emission line. The Abrams - Lind theory was verified and proved to be valid under the conditions of our plasma. In the high-laser-intensity limit, the DFWM signals were shown to be exclusively dependent on the population difference between the relevant argon states. Well resolved axial and radial profiles of the plasma temperature and the electron density were determined.

  14. The automated design of materials far from equilibrium

    NASA Astrophysics Data System (ADS)

    Miskin, Marc Z.

    Automated design is emerging as a powerful concept in materials science. By combining computer algorithms, simulations, and experimental data, new techniques are being developed that start with high level functional requirements and identify the ideal materials that achieve them. This represents a radically different picture of how materials become functional in which technological demand drives material discovery, rather than the other way around. At the frontiers of this field, materials systems previously considered too complicated can start to be controlled and understood. Particularly promising are materials far from equilibrium. Material robustness, high strength, self-healing and memory are properties displayed by several materials systems that are intrinsically out of equilibrium. These and other properties could be revolutionary, provided they can first be controlled. This thesis conceptualizes and implements a framework for designing materials that are far from equilibrium. We show how, even in the absence of a complete physical theory, design from the top down is possible and lends itself to producing physical insight. As a prototype system, we work with granular materials: collections of athermal, macroscopic identical objects, since these materials function both as an essential component of industrial processes as well as a model system for many non-equilibrium states of matter. We show that by placing granular materials in the context of design, benefits emerge simultaneously for fundamental and applied interests. As first steps, we use our framework to design granular aggregates with extreme properties like high stiffness, and softness. We demonstrate control over nonlinear effects by producing exotic aggregates that stiffen under compression. Expanding on our framework, we conceptualize new ways of thinking about material design when automatic discovery is possible. We show how to build rules that link particle shapes to arbitrary granular packing

  15. The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer with non-equilibrium model.

    PubMed

    Yang, Zhixin; Wang, Shaowei; Zhao, Moli; Li, Shucai; Zhang, Qiangyong

    2013-01-01

    The onset of double diffusive convection in a viscoelastic fluid-saturated porous layer is studied when the fluid and solid phase are not in local thermal equilibrium. The modified Darcy model is used for the momentum equation and a two-field model is used for energy equation each representing the fluid and solid phases separately. The effect of thermal non-equilibrium on the onset of double diffusive convection is discussed. The critical Rayleigh number and the corresponding wave number for the exchange of stability and over-stability are obtained, and the onset criterion for stationary and oscillatory convection is derived analytically and discussed numerically.

  16. Interfaces at equilibrium: A guide to fundamentals.

    PubMed

    Marmur, Abraham

    2016-05-20

    The fundamentals of the thermodynamics of interfaces are reviewed and concisely presented. The discussion starts with a short review of the elements of bulk thermodynamics that are also relevant to interfaces. It continues with the interfacial thermodynamics of two-phase systems, including the definition of interfacial tension and adsorption. Finally, the interfacial thermodynamics of three-phase (wetting) systems is discussed, including the topic of non-wettable surfaces. A clear distinction is made between equilibrium conditions, in terms of minimizing energies (internal, Gibbs or Helmholtz), and equilibrium indicators, in terms of measurable, intrinsic properties (temperature, chemical potential, pressure). It is emphasized that the equilibrium indicators are the same whatever energy is minimized, if the boundary conditions are properly chosen. Also, to avoid a common confusion, a distinction is made between systems of constant volume and systems with drops of constant volume.

  17. Analytic prediction of airplane equilibrium spin characteristics

    NASA Technical Reports Server (NTRS)

    Adams, W. M., Jr.

    1972-01-01

    The nonlinear equations of motion are solved algebraically for conditions for which an airplane is in an equilibrium spin. Constrained minimization techniques are employed in obtaining the solution. Linear characteristics of the airplane about the equilibrium points are also presented and their significance in identifying the stability characteristics of the equilibrium points is discussed. Computer time requirements are small making the method appear potentially applicable in airplane design. Results are obtained for several configurations and are compared with other analytic-numerical methods employed in spin prediction. Correlation with experimental results is discussed for one configuration for which a rather extensive data base was available. A need is indicated for higher Reynolds number data taken under conditions which more accurately simulate a spin.

  18. KSTAR Equilibrium Reconstruction with EFIT Code

    NASA Astrophysics Data System (ADS)

    You, Kwang-Il; Lee, D. K.; Hahn, S. H.; Lao, L. L.

    2007-11-01

    For application to the KSTAR (Korea Superconducting Tokamak Advanced Research) device, we have made some modification to the EFIT code and installed it on our computing system. The main function of EFIT is reconstruction of plasma equilibrium using discharge data. After every discharge, the code will be automatically run for a chosen time array and the results will be stored in the same way as experimental data will be. An MDSplus system will be used as the data storage for KSTAR; therefore, the EFIT reads experimental data from the MDSplus server and writes the results to it. We have added some subroutines to EFIT for direct link with the MDSplus server and also converted EFIT to Fortran 95 form. Test runs of the code will be made by using plasma simulator in the KSTAR plasma control system. This paper will also present some results of equilibrium data obtained with the equilibrium mode of EFIT.

  19. Equilibrium reconstruction using EFIT code for KSTAR

    NASA Astrophysics Data System (ADS)

    You, Kwang-Il; Lee, D. K.; Jeon, Y. M.; Hahn, S. H.; Lao, L. L.

    2006-10-01

    For application to the KSTAR (Korea Superconducting Tokamak Advanced Research) device, we have made some modification to the EFIT code and installed it on our computing system. The main function of EFIT is reconstruction of plasma equilibrium using discharge data. After every discharge, the code will be run for a chosen time array and the results will be stored in the same way as experimental data will be. An MDSplus system will be used as the data storage for KSTAR; therefore, the EFIT reads experimental data from the MDSplus server and writes the results to it. We have added some subroutines to EFIT for direct link with the MDSplus server and also converted it to Fortran 95 form. Test runs of the code will be made by using the KSTAR plasma control system. This paper will also present results of equilibrium data obtained with the equilibrium mode of EFIT.

  20. Thermal treatment wall

    DOEpatents

    Aines, Roger D.; Newmark, Robin L.; Knauss, Kevin G.

    2000-01-01

    A thermal treatment wall emplaced to perform in-situ destruction of contaminants in groundwater. Thermal destruction of specific contaminants occurs by hydrous pyrolysis/oxidation at temperatures achievable by existing thermal remediation techniques (electrical heating or steam injection) in the presence of oxygen or soil mineral oxidants, such as MnO.sub.2. The thermal treatment wall can be installed in a variety of configurations depending on the specific objectives, and can be used for groundwater cleanup, wherein in-situ destruction of contaminants is carried out rather than extracting contaminated fluids to the surface, where they are to be cleaned. In addition, the thermal treatment wall can be used for both plume interdiction and near-wellhead in-situ groundwater treatment. Thus, this technique can be utilized for a variety of groundwater contamination problems.

  1. Achievability for telerobotic systems

    NASA Astrophysics Data System (ADS)

    Kress, Reid L.; Draper, John V.; Hamel, William R.

    2001-02-01

    Methods are needed to improve the capabilities of autonomous robots to perform tasks that are difficult for contemporary robots, and to identify those tasks that robots cannot perform. Additionally, in the realm of remote handling, methods are needed to assess which tasks and/or subtasks are candidates for automation. We are developing a new approach to understanding the capability of autonomous robotic systems. This approach uses formalized methods for determining the achievability of tasks for robots, that is, the likelihood that an autonomous robot or telerobot can successfully complete a particular task. Any autonomous system may be represented in achievability space by the volume describing that system's capabilities within the 3-axis space delineated by perception, cognition, and action. This volume may be thought of as a probability density with achievability decreasing as the distance from the centroid of the volume increases. Similarly, any task may be represented within achievability space. However, as tasks have more finite requirements for perception, cognition, and action, each may be represented as a point (or, more accurately, as a small sphere) within achievability space. Analysis of achievability can serve to identify, a priori, the survivability of robotic systems and the likelihood of mission success; it can be used to plan a mission or portions of a mission; it can be used to modify a mission plan to accommodate unpredicted occurrences; it can also serve to identify needs for modifications to robotic systems or tasks to improve achievability. .

  2. Solar Thermal Conversion

    SciTech Connect

    Kreith, F.; Meyer, R. T.

    1982-11-01

    The thermal conversion process of solar energy is based on well-known phenomena of heat transfer (Kreith 1976). In all thermal conversion processes, solar radiation is absorbed at the surface of a receiver, which contains or is in contact with flow passages through which a working fluid passes. As the receiver heats up, heat is transferred to the working fluid which may be air, water, oil, or a molten salt. The upper temperature that can be achieved in solar thermal conversion depends on the insolation, the degree to which the sunlight is concentrated, and the measures taken to reduce heat losses from the working fluid.

  3. The transformation dynamics towards equilibrium in non-equilibrium w/w/o double emulsions

    NASA Astrophysics Data System (ADS)

    Chao, Youchuang; Mak, Sze Yi; Shum, Ho Cheung

    2016-10-01

    We use a glass-based microfluidic device to generate non-equilibrium water-in-water-in-oil (w/w/o) double emulsions and study how they transform into equilibrium configurations. The method relies on using three immiscible liquids, with two of them from the phase-separated aqueous two-phase systems. We find that the transformation is accompanied by an expansion rim, while the characteristic transformation speed of the rim mainly depends on the interfacial tension between the innermost and middle phases, as well as the viscosity of the innermost phase when the middle phase is non-viscous. Remarkably, the viscosity of the outermost phase has little effect on the transformation speed. Our results account for the dynamics of non-equilibrium double emulsions towards their equilibrium structure and suggest a possibility to utilize the non-equilibrium drops to synthesize functional particles.

  4. The Effect of a Conceptual Change Approach on Understanding of Students' Chemical Equilibrium Concepts

    ERIC Educational Resources Information Center

    Atasoy, Basri; Akkus, Huseyin; Kadayifci, Hakki

    2009-01-01

    The purpose of this study was to compare the effects of a conceptual change approach over traditional instruction on tenth-grade students' conceptual achievement in understanding chemical equilibrium. The study was conducted in two classes of the same teacher with participation of a total of 44 tenth-grade students. In this study, a…

  5. Isodynamic axisymmetric equilibrium near the magnetic axis

    SciTech Connect

    Arsenin, V. V.

    2013-08-15

    Plasma equilibrium near the magnetic axis of an axisymmetric toroidal magnetic confinement system is described in orthogonal flux coordinates. For the case of a constant current density in the vicinity of the axis and magnetic surfaces with nearly circular cross sections, expressions for the poloidal and toroidal magnetic field components are obtained in these coordinates by using expansion in the reciprocal of the aspect ratio. These expressions allow one to easily derive relationships between quantities in an isodynamic equilibrium, in which the absolute value of the magnetic field is constant along the magnetic surface (Palumbo’s configuration)

  6. Putting A Human Face on Equilibrium

    NASA Astrophysics Data System (ADS)

    Glickstein, Neil

    2005-03-01

    A short biography of chemist Fritz Haber is used to personalize the abstract concepts of equilibrium chemistry for high school students in an introductory course. In addition to giving the Haber Bosch process an historic, an economic, and a scientific background the reading and subsequent discussion allows students for whom the human perspective is of paramount importance a chance to investigate the irony of balance or equilibrium in Haber's life story. Since the inclusion of the Haber biography, performance in the laboratory and on examinations for those students who are usually only partially engaged has dramatically improved.

  7. Algorithm For Hypersonic Flow In Chemical Equilibrium

    NASA Technical Reports Server (NTRS)

    Palmer, Grant

    1989-01-01

    Implicit, finite-difference, shock-capturing algorithm calculates inviscid, hypersonic flows in chemical equilibrium. Implicit formulation chosen because overcomes limitation on mathematical stability encountered in explicit formulations. For dynamical portion of problem, Euler equations written in conservation-law form in Cartesian coordinate system for two-dimensional or axisymmetric flow. For chemical portion of problem, equilibrium state of gas at each point in computational grid determined by minimizing local Gibbs free energy, subject to local conservation of molecules, atoms, ions, and total enthalpy. Major advantage: resulting algorithm naturally stable and captures strong shocks without help of artificial-dissipation terms to damp out spurious numerical oscillations.

  8. Equilibrium properties of hybrid field reversed configurations

    NASA Astrophysics Data System (ADS)

    Tuszewski, M.; Gupta, D.; Gupta, S.; Onofri, M.; Osin, D.; Deng, B. H.; Dettrick, S. A.; Hubbard, K.; Gota, H.

    2017-01-01

    Field Reversed Configurations (FRCs) heated by neutral beam injection may include a large fast ion pressure that significantly modifies the equilibrium. A new analysis is required to characterize such hybrid FRCs, as the simple relations used up to now prove inaccurate. The substantial contributions of fast ions to FRC radial pressure balance and diamagnetism are described. A simple model is offered to reconstruct more accurately the equilibrium parameters of elongated hybrid FRCs. Further modeling requires new measurements of either the magnetic field or the plasma pressure.

  9. Isodynamic axisymmetric equilibrium near the magnetic axis

    NASA Astrophysics Data System (ADS)

    Arsenin, V. V.

    2013-08-01

    Plasma equilibrium near the magnetic axis of an axisymmetric toroidal magnetic confinement system is described in orthogonal flux coordinates. For the case of a constant current density in the vicinity of the axis and magnetic surfaces with nearly circular cross sections, expressions for the poloidal and toroidal magnetic field components are obtained in these coordinates by using expansion in the reciprocal of the aspect ratio. These expressions allow one to easily derive relationships between quantities in an isodynamic equilibrium, in which the absolute value of the magnetic field is constant along the magnetic surface (Palumbo's configuration).

  10. Equilibrium stellar systems with genetic algorithms

    NASA Astrophysics Data System (ADS)

    Gularte, E.; Carpintero, D. D.

    In 1979, M Schwarzschild showed that it is possible to build an equilibrium triaxial stellar system. However, the linear programmation used to that goal was not able to determine the uniqueness of the solution, nor even if that solution was the optimum one. Genetic algorithms are ideal tools to find a solution to this problem. In this work, we use a genetic algorithm to reproduce an equilibrium spherical stellar system from a suitable set of predefined orbits, obtaining the best solution attainable with the provided set. FULL TEXT IN SPANISH

  11. Thermal Soret Diffusion in the Liquid Phase Epitaxial Growth of Binary Iii-V Compounds

    NASA Astrophysics Data System (ADS)

    Chien, Chung-Ping

    The conditions necessary for stable nucleation and growth in the liquid phase epitaxial growth of GaAs and InP are analytically established and, in the former, experimentally confirmed in this research. A transient thermodynamic transport treatment of supersaturated to undersaturated melts, which includes the coupling between solute and heat transport(thermal Soret diffusion), has been solved in closed form. The thermal Soret diffusion effect has been found to be a very important factor for the stabilization of solute transport. For steady-state LPE growth, the thermal Soret diffusion will give rise to a separation effect that forces the steady -state solute concentration to exceed the equilibrium liquidus concentration at a noninteracting interface. This increased concentration, near the growth interface, can cause localized nonuniformities in the melt which leads to terrace, miniscus -line and/or hillock growth morphologies. When nucleation and growth are initiated at near equilibrium liquidus conditions, at the substrate interface with a temperature gradient, meltback and spontaneous nucleation are minimized. To enhance stable uniform growth, the substrate should be brought into contact with the melt at a very critical time, during melt saturation, when the equilibrium liquidus concentration is reached at the noninteracting interface of the slider. The critical melt saturation time for the transient concentration to reach the liquidus concentration at this interface has been analytically determined and experimentally confirmed. In this analysis, the Soret thermal diffusion coefficient has also been evaluated in terms of the solute and solvent masses and the temperature dependence of the solute diffusion coefficient. The critical time determined in this analysis appears to be in close agreement with the experimental results for LPE GaAs. When near steady-state solute transport is achieved at the initiation of growth on the substrate, i.e., the liquidus solute

  12. Accelerated self-replication under non-equilibrium, periodic energy delivery.

    PubMed

    Zhang, Rui; Walker, David A; Grzybowski, Bartosz A; Olvera de la Cruz, Monica

    2014-01-03

    Self-replication is a remarkable phenomenon in nature that has fascinated scientists for decades. In a self-replicating system, the original units are attracted to a template, which induce their binding. In equilibrium, the energy required to disassemble the newly assembled copy from the mother template is supplied by thermal energy. The possibility of optimizing self-replication was explored by controlling the frequency at which energy is supplied to the system. A model system inspired by a class of light-switchable colloids was considered where light is used to control the interactions. Conditions under which self-replication can be significantly more effective under non-equilibrium, cyclic energy delivery than under equilibrium constant energy conditions were identified. Optimal self-replication does not require constant energy expenditure. Instead, the proper timing at which energy is delivered to the system is an essential controllable parameter to induce high replication rates.

  13. An Initial Non-Equilibrium Porous-Media Model for CFD Simulation of Stirling Regenerators

    NASA Technical Reports Server (NTRS)

    Tew, Roy; Simon, Terry; Gedeon, David; Ibrahim, Mounir; Rong, Wei

    2006-01-01

    The objective of this paper is to define empirical parameters (or closwre models) for an initial thermai non-equilibrium porous-media model for use in Computational Fluid Dynamics (CFD) codes for simulation of Stirling regenerators. The two CFD codes currently being used at Glenn Research Center (GRC) for Stirling engine modeling are Fluent and CFD-ACE. The porous-media models available in each of these codes are equilibrium models, which assmne that the solid matrix and the fluid are in thermal equilibrium at each spatial location within the porous medium. This is believed to be a poor assumption for the oscillating-flow environment within Stirling regenerators; Stirling 1-D regenerator models, used in Stirling design, we non-equilibrium regenerator models and suggest regenerator matrix and gas average temperatures can differ by several degrees at a given axial location end time during the cycle. A NASA regenerator research grant has been providing experimental and computational results to support definition of various empirical coefficients needed in defining a noa-equilibrium, macroscopic, porous-media model (i.e., to define "closure" relations). The grant effort is being led by Cleveland State University, with subcontractor assistance from the University of Minnesota, Gedeon Associates, and Sunpower, Inc. Friction-factor and heat-transfer correlations based on data taken with the NASAlSunpower oscillating-flow test rig also provide experimentally based correlations that are useful in defining parameters for the porous-media model; these correlations are documented in Gedeon Associates' Sage Stirling-Code Manuals. These sources of experimentally based information were used to define the following terms and parameters needed in the non-equilibrium porous-media model: hydrodynamic dispersion, permeability, inertial coefficient, fluid effective thermal conductivity (including themal dispersion and estimate of tortuosity effects}, and fluid-solid heat transfer

  14. Culture and Achievement Motivation

    ERIC Educational Resources Information Center

    Maehr, Martin L.

    1974-01-01

    A framework is suggested for the cross-cultural study of motivation that stresses the importance of contextual conditions in eliciting achievement motivation and emphasizes cultural relativity in the definition of the concept. (EH)

  15. Achieving Salary Equity

    ERIC Educational Resources Information Center

    Nevill, Dorothy D.

    1975-01-01

    Three techniques are outlined for use by higher education institutions to achieve salary equity: salary prediction (using various statistical procedures), counterparting (comparing salaries of persons of similar rank), and grievance procedures. (JT)

  16. Thermal synthesis apparatus

    DOEpatents

    Fincke, James R [Idaho Falls, ID; Detering, Brent A [Idaho Falls, ID

    2009-08-18

    An apparatus for thermal conversion of one or more reactants to desired end products includes an insulated reactor chamber having a high temperature heater such as a plasma torch at its inlet end and, optionally, a restrictive convergent-divergent nozzle at its outlet end. In a thermal conversion method, reactants are injected upstream from the reactor chamber and thoroughly mixed with the plasma stream before entering the reactor chamber. The reactor chamber has a reaction zone that is maintained at a substantially uniform temperature. The resulting heated gaseous stream is then rapidly cooled by passage through the nozzle, which "freezes" the desired end product(s) in the heated equilibrium reaction stage, or is discharged through an outlet pipe without the convergent-divergent nozzle. The desired end products are then separated from the gaseous stream.

  17. 14 CFR 67.305 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 2 2014-01-01 2014-01-01 false Ear, nose, throat, and equilibrium. 67.305..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a third-class airman... by, or that may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  18. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 2 2011-10-01 2011-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  19. 14 CFR 67.205 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 2 2014-01-01 2014-01-01 false Ear, nose, throat, and equilibrium. 67.205..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a second-class airman..., vertigo or a disturbance of equilibrium....

  20. 14 CFR 67.305 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.305..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a third-class airman... by, or that may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  1. 14 CFR 67.105 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.105..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a first-class airman... may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  2. 14 CFR 67.205 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 2 2013-01-01 2013-01-01 false Ear, nose, throat, and equilibrium. 67.205..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a second-class airman..., vertigo or a disturbance of equilibrium....

  3. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 2 2010-10-01 2010-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  4. 14 CFR 67.105 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 2 2014-01-01 2014-01-01 false Ear, nose, throat, and equilibrium. 67.105..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a first-class airman... may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  5. 14 CFR 67.305 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 2 2013-01-01 2013-01-01 false Ear, nose, throat, and equilibrium. 67.305..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a third-class airman... by, or that may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  6. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 2 2012-10-01 2012-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  7. 14 CFR 67.305 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 2 2012-01-01 2012-01-01 false Ear, nose, throat, and equilibrium. 67.305..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a third-class airman... by, or that may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  8. 14 CFR 67.105 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 2 2012-01-01 2012-01-01 false Ear, nose, throat, and equilibrium. 67.105..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a first-class airman... may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  9. 14 CFR 67.205 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 2 2010-01-01 2010-01-01 false Ear, nose, throat, and equilibrium. 67.205..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a second-class airman..., vertigo or a disturbance of equilibrium....

  10. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 2 2013-10-01 2013-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  11. 14 CFR 67.105 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 2 2011-01-01 2011-01-01 false Ear, nose, throat, and equilibrium. 67.105..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a first-class airman... may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  12. 46 CFR 42.20-12 - Conditions of equilibrium.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 46 Shipping 2 2014-10-01 2014-10-01 false Conditions of equilibrium. 42.20-12 Section 42.20-12... BY SEA Freeboards § 42.20-12 Conditions of equilibrium. The following conditions of equilibrium are... stability. Through an angle of 20 degrees beyond its position of equilibrium, the vessel must meet...

  13. 14 CFR 67.305 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 2 2011-01-01 2011-01-01 false Ear, nose, throat, and equilibrium. 67.305..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a third-class airman... by, or that may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  14. 14 CFR 67.205 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 14 Aeronautics and Space 2 2012-01-01 2012-01-01 false Ear, nose, throat, and equilibrium. 67.205..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a second-class airman..., vertigo or a disturbance of equilibrium....

  15. 14 CFR 67.205 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 2 2011-01-01 2011-01-01 false Ear, nose, throat, and equilibrium. 67.205..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a second-class airman..., vertigo or a disturbance of equilibrium....

  16. 14 CFR 67.105 - Ear, nose, throat, and equilibrium.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... 14 Aeronautics and Space 2 2013-01-01 2013-01-01 false Ear, nose, throat, and equilibrium. 67.105..., nose, throat, and equilibrium. Ear, nose, throat, and equilibrium standards for a first-class airman... may reasonably be expected to be manifested by, vertigo or a disturbance of equilibrium....

  17. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system

    PubMed Central

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-01

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for chemical reactions far from equilibrium. We mathematically reveal that the control mechanism is formulated as pulse-density modulation control of the fusion–fission timing. We produce the droplet open-reactor system using microfluidic technologies and then perform external control and autonomous feedback control over autocatalytic chemical oscillation reactions far from equilibrium. We believe that this system will be valuable for the dynamical control over self-organized phenomena far from equilibrium in chemical and biomedical studies. PMID:26786848

  18. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system.

    PubMed

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-20

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for chemical reactions far from equilibrium. We mathematically reveal that the control mechanism is formulated as pulse-density modulation control of the fusion-fission timing. We produce the droplet open-reactor system using microfluidic technologies and then perform external control and autonomous feedback control over autocatalytic chemical oscillation reactions far from equilibrium. We believe that this system will be valuable for the dynamical control over self-organized phenomena far from equilibrium in chemical and biomedical studies.

  19. Pulse-density modulation control of chemical oscillation far from equilibrium in a droplet open-reactor system

    NASA Astrophysics Data System (ADS)

    Sugiura, Haruka; Ito, Manami; Okuaki, Tomoya; Mori, Yoshihito; Kitahata, Hiroyuki; Takinoue, Masahiro

    2016-01-01

    The design, construction and control of artificial self-organized systems modelled on dynamical behaviours of living systems are important issues in biologically inspired engineering. Such systems are usually based on complex reaction dynamics far from equilibrium; therefore, the control of non-equilibrium conditions is required. Here we report a droplet open-reactor system, based on droplet fusion and fission, that achieves dynamical control over chemical fluxes into/out of the reactor for chemical reactions far from equilibrium. We mathematically reveal that the control mechanism is formulated as pulse-density modulation control of the fusion-fission timing. We produce the droplet open-reactor system using microfluidic technologies and then perform external control and autonomous feedback control over autocatalytic chemical oscillation reactions far from equilibrium. We believe that this system will be valuable for the dynamical control over self-organized phenomena far from equilibrium in chemical and biomedical studies.

  20. Group Contribution Methods for Phase Equilibrium Calculations.

    PubMed

    Gmehling, Jürgen; Constantinescu, Dana; Schmid, Bastian

    2015-01-01

    The development and design of chemical processes are carried out by solving the balance equations of a mathematical model for sections of or the whole chemical plant with the help of process simulators. For process simulation, besides kinetic data for the chemical reaction, various pure component and mixture properties are required. Because of the great importance of separation processes for a chemical plant in particular, a reliable knowledge of the phase equilibrium behavior is required. The phase equilibrium behavior can be calculated with the help of modern equations of state or g(E)-models using only binary parameters. But unfortunately, only a very small part of the experimental data for fitting the required binary model parameters is available, so very often these models cannot be applied directly. To solve this problem, powerful predictive thermodynamic models have been developed. Group contribution methods allow the prediction of the required phase equilibrium data using only a limited number of group interaction parameters. A prerequisite for fitting the required group interaction parameters is a comprehensive database. That is why for the development of powerful group contribution methods almost all published pure component properties, phase equilibrium data, excess properties, etc., were stored in computerized form in the Dortmund Data Bank. In this review, the present status, weaknesses, advantages and disadvantages, possible applications, and typical results of the different group contribution methods for the calculation of phase equilibria are presented.

  1. Spontaneity and Equilibrium II: Multireaction Systems

    ERIC Educational Resources Information Center

    Raff, Lionel M.

    2014-01-01

    The thermodynamic criteria for spontaneity and equilibrium in multireaction systems are developed and discussed. When N reactions are occurring simultaneously, it is shown that G and A will depend upon N independent reaction coordinates, ?a (a = 1,2, ..., N), in addition to T and p for G or T and V for A. The general criteria for spontaneity and…

  2. ON THE EQUILIBRIUM STRUCTURE OF SIMPLE LIQUIDS

    DTIC Science & Technology

    It is shown that the repulsive (not merely the positive) portion of the Lennard - Jones potential quantitatively dominates the equilibrium structure of...the Lennard - Jones liquid. A simple and accurate approximation for the radial distribution function at high densities is presented.

  3. Phase equilibrium measurements on twelve binary mixtures

    SciTech Connect

    Giles, N.F.; Wilson, H.L.; Wilding, W.V.

    1996-11-01

    Phase equilibrium measurements have been performed on twelve binary mixtures. The PTx method was used to obtain vapor-liquid equilibrium data for the following binary systems at two temperatures each: ethanethiol + propylene; nitrobenzene + methanol; pyridine + ethyl acetate; octane + tert-amyl methyl ether; diisopropyl ether + butane; 1,3-dichloro-2-propanol + epichlorohydrin; 2,3-dichloro-1-propanol + epichlorohydrin; 2,3-epoxy-1-propanol + epichlorohydrin; 3-chloro-1,2-propanediol + epichlorohydrin; methanol + hydrogen cyanide. For these systems, equilibrium vapor and liquid phase compositions were derived from the PTx data using the Soave equation of state to represent the vapor phase and the Wilson, NRTL, or Redlich-Kister activity coefficient model to represent the liquid phase. The infinite dilution activity coefficient of methylamine in N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone was determined at three temperatures by performing PTx measurements on the N-methyl-2-pyrrolidone-rich half of the binary. Liquid-liquid equilibrium studies were made on the triethylene glycol + 1-pentene system at two temperatures by directly analyzing samples taken from each liquid phase.

  4. A Progression of Static Equilibrium Laboratory Exercises

    ERIC Educational Resources Information Center

    Kutzner, Mickey; Kutzner, Andrew

    2013-01-01

    Although simple architectural structures like bridges, catwalks, cantilevers, and Stonehenge have been integral in human societies for millennia, as have levers and other simple tools, modern students of introductory physics continue to grapple with Newton's conditions for static equilibrium. As formulated in typical introductory physics…

  5. Generalized convective quasi-equilibrium principle

    NASA Astrophysics Data System (ADS)

    Yano, Jun-Ichi; Plant, Robert S.

    2016-03-01

    A generalization of Arakawa and Schubert's convective quasi-equilibrium principle is presented for a closure formulation of mass-flux convection parameterization. The original principle is based on the budget of the cloud work function. This principle is generalized by considering the budget for a vertical integral of an arbitrary convection-related quantity. The closure formulation includes Arakawa and Schubert's quasi-equilibrium, as well as both CAPE and moisture closures as special cases. The formulation also includes new possibilities for considering vertical integrals that are dependent on convective-scale variables, such as the moisture within convection. The generalized convective quasi-equilibrium is defined by a balance between large-scale forcing and convective response for a given vertically-integrated quantity. The latter takes the form of a convolution of a kernel matrix and a mass-flux spectrum, as in the original convective quasi-equilibrium. The kernel reduces to a scalar when either a bulk formulation is adopted, or only large-scale variables are considered within the vertical integral. Various physical implications of the generalized closure are discussed. These include the possibility that precipitation might be considered as a potentially-significant contribution to the large-scale forcing. Two dicta are proposed as guiding physical principles for the specifying a suitable vertically-integrated quantity.

  6. Calculating Shocks In Flows At Chemical Equilibrium

    NASA Technical Reports Server (NTRS)

    Eberhardt, Scott; Palmer, Grant

    1988-01-01

    Boundary conditions prove critical. Conference paper describes algorithm for calculation of shocks in hypersonic flows of gases at chemical equilibrium. Although algorithm represents intermediate stage in development of reliable, accurate computer code for two-dimensional flow, research leading up to it contributes to understanding of what is needed to complete task.

  7. Teaching Chemical Equilibrium with the Jigsaw Technique

    ERIC Educational Resources Information Center

    Doymus, Kemal

    2008-01-01

    This study investigates the effect of cooperative learning (jigsaw) versus individual learning methods on students' understanding of chemical equilibrium in a first-year general chemistry course. This study was carried out in two different classes in the department of primary science education during the 2005-2006 academic year. One of the classes…

  8. Equilibrium Molecular Thermodynamics from Kirkwood Sampling

    PubMed Central

    2015-01-01

    We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys.2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide. PMID:25915525

  9. Equilibrium molecular thermodynamics from Kirkwood sampling.

    PubMed

    Somani, Sandeep; Okamoto, Yuko; Ballard, Andrew J; Wales, David J

    2015-05-21

    We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys. 2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, where Kirkwood sampling is used for generating trial Monte Carlo moves. Using this method, equilibrium distributions corresponding to different temperatures and potential energy functions can be generated from a given set of low-order correlations. Since Kirkwood samples are generated independently, this method is ideally suited for massively parallel distributed computing. The second approach is a variant of reservoir replica exchange, where Kirkwood sampling is used to construct a reservoir of conformations, which exchanges conformations with the replicas performing equilibrium sampling corresponding to different thermodynamic states. Coupling with the Kirkwood reservoir enhances sampling by facilitating global jumps in the conformational space. The efficiency of both methods depends on the overlap of the Kirkwood distribution with the target equilibrium distribution. We present proof-of-concept results for a model nine-atom linear molecule and alanine dipeptide.

  10. Assessing Students' Conceptual Understanding of Solubility Equilibrium.

    ERIC Educational Resources Information Center

    Raviolo, Andres

    2001-01-01

    Presents a problem on solubility equilibrium which involves macroscopic, microscopic, and symbolic levels of representation as a resource for the evaluation of students, and allows for assessment as to whether students have acquired an adequate conceptual understanding of the phenomenon. Also diagnoses difficulties with regard to previous…

  11. Conditions for the Existence of Market Equilibrium.

    ERIC Educational Resources Information Center

    Bryant, William D. A.

    1997-01-01

    Maintains that most graduate-level economics textbooks rarely mention the need for consumers to be above their minimum wealth position as a condition for market equilibrium. Argues that this omission leaves students with a mistaken sense about the range of circumstances under which market equilibria can exist. (MJP)

  12. Payload specialists Patrick Baudry conducts equilibrium experiments

    NASA Technical Reports Server (NTRS)

    1985-01-01

    Payload specialists Patrick Baudry participates in an experiment involving equilibrium and vertigo. He is anchored to the orbiter floor by foot restraints and is wearing a device over his eyes to measure angular head movement and up and down eye movement.

  13. Non-equilibrium spatial dynamics of ecosystems.

    PubMed

    Guichard, Frederic; Gouhier, Tarik C

    2014-09-01

    Ecological systems show tremendous variability across temporal and spatial scales. It is this variability that ecologists try to predict and that managers attempt to harness in order to mitigate risk. However, the foundations of ecological science and its mainstream agenda focus on equilibrium dynamics to describe the balance of nature. Despite a rich body of literature on non-equilibrium ecological dynamics, we lack a well-developed set of predictions that can relate the spatiotemporal heterogeneity of natural systems to their underlying ecological processes. We argue that ecology needs to expand its current toolbox for the study of non-equilibrium ecosystems in order to both understand and manage their spatiotemporal variability. We review current approaches and outstanding questions related to the study of spatial dynamics and its application to natural ecosystems, including the design of reserves networks. We close by emphasizing the importance of ecosystem function as a key component of a non-equilibrium ecological theory, and of spatial synchrony as a central phenomenon for its inference in natural systems.

  14. General Equilibrium Models: Improving the Microeconomics Classroom

    ERIC Educational Resources Information Center

    Nicholson, Walter; Westhoff, Frank

    2009-01-01

    General equilibrium models now play important roles in many fields of economics including tax policy, environmental regulation, international trade, and economic development. The intermediate microeconomics classroom has not kept pace with these trends, however. Microeconomics textbooks primarily focus on the insights that can be drawn from the…

  15. The 'Schwarzschild-Kerr' Equilibrium Configurations

    SciTech Connect

    Manko, V. S.; Ruiz, E.

    2010-12-07

    We discuss the possibility of equilibrium between a Schwarzschild black hole possessing zero intrinsic angular momentum and a hyperextreme Kerr source. The balance occurs due to frame-dragging exerted by the latter source on the black-hole constituent, thus giving rise to a non-zero horizon's angular velocity parallel to the angular momentum of the Kerr object.

  16. Thermodynamic Equilibrium and Rise of Complexity in an Accelerated Universe

    NASA Astrophysics Data System (ADS)

    Moradpour, H.; Riazi, N.

    2016-01-01

    Observational data (Supernovae type Ia data) indicate that the rate of the universe expansion is increasing, which means that, in the framework of General Relativity, the current phase of the expansion is due to an unknown source of energy. Therefore, the nature of dominated fluid in cosmos, as the source of energy, is mysterious. Here, by considering this property of current accelerating phase along with the concept of thermodynamics equilibrium we try to find possible values for the state parameter ( ω) of the dominated fluid in a ( n+1)-dimensional Friedmann-Robertson-Walker universe. Our results are compatible with previous work for Gauss-Bonnet gravity and point to a universe which is so close to its thermodynamic equilibrium state. By the evolution of the cosmos, the baryonic content of the cosmos is participating in longer range interactions, including gravity and electromagnetism, and structure formation is begun which leads to an increase in the complexity content of the universe. Therefore, a true model for the cosmos should show this rise of complexity and information. In order to achieve this goal, we introduce a simple model including free particles in an expanding box and try to count the number of the states of energy. This configuration shows that the entropy of these number of states as the measure for complexity is increased when dominated fluid satisfies special condition ( ω ≥ -1) which is compatible with the results of the Supernovae type Ia data and the thermodynamic equilibrium conditions. Finally, We see that the rate of increase in the complexity content of the universe increases in the ω → -1 limit.

  17. The Impact of Kitesurfing on the Dynamic Equilibrium

    PubMed Central

    da Luz, Rafael Leonardo Ferreira; da Silva, Fernando Alves; Coertjens, Marcelo

    2016-01-01

    Background The kitesurfing athletes endure unexpected conditions in terms of the function of irregularities in the surface of the water that requires a correct proprioceptive response in order to maintain equilibrium and execute the required movements while maintaining contact with the board and the water. Objectives The objective of this work was to use the star excursion balance test to compare the dynamic equilibrium of athletes who engage in kitesurfing activities with non-athletic subjects. Methods Fourteen kitesurfing athletes and fifteen sedentary male subjects completed three rounds of the star excursion balance test: familiarity, test one and test two. During each phase the eight directions of the test were performed three times on each leg and the maximum distance reached by the leg (cm) was measured before being divided by the length of the lower limb (%). To compare the intergroup averages, a student test t to independent samples was performed. To compare the averages across the eight directions in the same group, the repeated-measures ANOVA test was employed and to compare the averages of the right leg and the left leg, a student test t to dependent samples was used (α = 0.05). Results For both groups and in both legs, the distance reached in the medial, posteromedial, posterior and posterolateral directions was similar and further than the other directions. It was observed that the athletes in the comparison intergroup achieved superior results than those in the control group in the medial, posteromedial, posterior and posterolateral directions in both right and left legs and the lateral direction in the right leg (P < 0.05). Conclusions Kitesurfing activities result in proportionate adaptations in the dynamic equilibrium of athletes, maybe in function of adaptations in the neuromuscular structure, resulting in a better performance in situations that cause disequilibrium. PMID:28144405

  18. Non-equilibrium Landauer transport model for Hawking radiation from a black hole

    NASA Astrophysics Data System (ADS)

    Nation, P. D.; Blencowe, M. P.; Nori, Franco

    2012-03-01

    We propose that the Hawking radiation energy and entropy flow rates from a black hole can be viewed as a one-dimensional (1D), non-equilibrium Landauer transport process. Support for this viewpoint comes from previous calculations invoking conformal symmetry in the near-horizon region, which give radiation rates that are identical to those of a single 1D quantum channel connected to a thermal reservoir at the Hawking temperature. The Landauer approach shows in a direct way the particle statistics independence of the energy and entropy fluxes of a black hole radiating into vacuum, as well as one near thermal equilibrium with its environment. As an application of the Landauer approach, we show that Hawking radiation gives a net entropy production that is 50% larger than that obtained assuming standard 3D emission into vacuum.

  19. Determination of the experimental equilibrium structure of solid nitromethane using path-integral molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Reilly, Anthony M.; Habershon, Scott; Morrison, Carole A.; Rankin, David W. H.

    2010-03-01

    Path-integral molecular dynamics (PIMD) simulations with an empirical interaction potential have been used to determine the experimental equilibrium structure of solid nitromethane at 4.2 and 15 K. By comparing the time-averaged molecular structure determined in a PIMD simulation to the calculated minimum-energy (zero-temperature) molecular structure, we have derived structural corrections that describe the effects of thermal motion. These corrections were subsequently used to determine the equilibrium structure of nitromethane from the experimental time-averaged structure. We find that the corrections to the intramolecular and intermolecular bond distances, as well as to the torsion angles, are quite significant, particularly for those atoms participating in the anharmonic motion of the methyl group. Our results demonstrate that simple harmonic models of thermal motion may not be sufficiently accurate, even at low temperatures, while molecular simulations employing more realistic potential-energy surfaces can provide important insight into the role and magnitude of anharmonic atomic motions.

  20. Equilibrium and Sudden Events in Chemical Evolution

    NASA Astrophysics Data System (ADS)

    Weinberg, David H.; Andrews, Brett H.; Freudenburg, Jenna

    2017-03-01

    We present new analytic solutions for one-zone (fully mixed) chemical evolution models that incorporate a realistic delay time distribution for Type Ia supernovae (SNe Ia) and can therefore track the separate evolution of α-elements produced by core collapse supernovae (CCSNe) and iron peak elements synthesized in both CCSNe and SNe Ia. Our solutions allow constant, exponential, or linear–exponential ({{te}}-t/{τ {sfh}}) star formation histories, or combinations thereof. In generic cases, α and iron abundances evolve to an equilibrium at which element production is balanced by metal consumption and gas dilution, instead of continuing to increase over time. The equilibrium absolute abundances depend principally on supernova yields and the outflow mass loading parameter η, while the equilibrium abundance ratio [α /{Fe}] depends mainly on yields and secondarily on star formation history. A stellar population can be metal-poor either because it has not yet evolved to equilibrium or because high outflow efficiency makes the equilibrium abundance itself low. Systems with ongoing gas accretion develop metallicity distribution functions (MDFs) that are sharply peaked, while “gas starved” systems with rapidly declining star formation, such as the conventional “closed box” model, have broadly peaked MDFs. A burst of star formation that consumes a significant fraction of a system’s available gas and retains its metals can temporarily boost [α /{Fe}] by 0.1–0.3 dex, a possible origin for rare, α-enhanced stars with intermediate age and/or high metallicity. Other sudden transitions in system properties can produce surprising behavior, including backward evolution of a stellar population from high to low metallicity.

  1. A thermal ground cloak

    NASA Astrophysics Data System (ADS)

    Yang, Tianzhi; Wu, Qinghe; Xu, Weikai; Liu, Di; Huang, Lujun; Chen, Fei

    2016-02-01

    The thermal cloak has been a long-standing scientific dream of researchers and engineers. Recently thermal metamaterials with man-made micro-structure have been presented based on the principle of transformation optics (TO). This new concept has received considerable attention, which is a powerful tool for manipulating heat flux in thermal imaging systems. However, the inherent material singularity has long been a captivation of experimental realization. As an alternative method, the scattering-cancellation-based cloak (or bi-layer thermal cloak) has been presented to remove the singularity for achieving the same cloaking performance. Nevertheless, such strategy needs prerequisite knowledge (geometry and conductivity) of the object to be cloaked. In this paper, a new thermal ground cloak is presented to overcome the limitations. The device is designed, fabricated and measured to verify the thermal cloaking performance. We experimentally show that the remarkably low complexity of the device can fully and effectively be manipulated using realizable transformation thermal devices. More importantly, this thermal ground cloak is designed to exclude heat flux without knowing the information of the cloaked object.

  2. Ultrafast Thermal Transport at Interfaces

    SciTech Connect

    Cahill, David; Murphy, Catherine; Martin, Lane

    2014-10-21

    Our research program on Ultrafast Thermal Transport at Interfaces advanced understanding of the mesoscale science of heat conduction. At the length and time scales of atoms and atomic motions, energy is transported by interactions between single-particle and collective excitations. At macroscopic scales, entropy, temperature, and heat are the governing concepts. Key gaps in fundamental knowledge appear at the transitions between these two regimes. The transport of thermal energy at interfaces plays a pivotal role in these scientific issues. Measurements of heat transport with ultrafast time resolution are needed because picoseconds are the fundamental scales where the lack of equilibrium between various thermal excitations becomes a important factor in the transport physics. A critical aspect of our work has been the development of experimental methods and model systems that enabled more precise and sensitive investigations of nanoscale thermal transport.

  3. A Tightly Coupled Non-Equilibrium Magneto-Hydrodynamic Model for Inductively Coupled RF Plasmas

    DTIC Science & Technology

    2016-02-29

    for public release; distribution unlimited 13. SUPPLEMENTARY NOTES Journal article published in the Journal of Applied Physics , Vol. #118, Issue #13...effects are described based on a hybrid State-to-State (StS) approach. A multi- temperature formulation is used to account for thermal non-equilibrium...allowing for non-Boltzmann distributions of their populations. Free-electrons are assumed Maxwellian at their own temperature . The governing equations

  4. Measurements of Vibrational Non-equilibrium in Supersonic Jet Mixing and Combustion

    NASA Astrophysics Data System (ADS)

    Reising, Heath; Haller, Timothy; Clemens, Noel; Varghese, Philip

    2014-11-01

    A new experimental facility has been constructed to study the effects of thermal non-equilibrium on supersonic mixing and combustion. The facility consists of a Mach 1.5 turbulent jet issuing into an electrically heated coflow. The degree of non-equilibrium in the jet shear layer is quantified using high spectral resolution time-averaged spontaneous Raman scattering. Since the Raman spectra are time-averaged, they are susceptible to non-linear weighting effects induced by temperature fluctuations. The effect of local turbulent temperature fluctuations on the Raman fitting procedure is quantified by using spectral simulations that use the actual temperature fluctuations present in the flow measured by instantaneous Rayleigh scattering thermometry. It is shown that the temperature fluctuations are not large enough to induce significant errors in the vibrational temperature fitting results. Vibrational non-equilibrium is shown to occur in the jet shear layer, and its magnitude and trend are shown to be similar to recent large-eddy-simulation results. Since CO2 is known to cause faster vibrational relaxation of N2, a series of experiments were conducted to verify that the non-equilibrium effects could be controlled by CO2 addition. This work is being extended to reacting flows, to assess the impact of non-equilibrium on supersonic shear-layer combustion. This work was supported by the Air Force Office of Scientific Research.

  5. Non-equilibrium phase transitions of aqueous starch systems.

    PubMed

    Biliaderis, C G

    1991-01-01

    Experimental data on phase transitions of aqueous starch systems, obtained by thermal analysis (TA) methods, are often indicative of irreversible (non-equilibrium) processes involving various metastable states. The thermal responses usually reflect composite effects from contributions of several opposing processes [e.g. annealing, melting, and (re)crystallization] taking place concurrently during TA. It is important, therefore, to recognize the temperature- and time-dependence of the structure of starch materials, if non-isothermal techniques are used for their characterization. Identifying the pertinent morphological features (supermolecular structure) of each particular system, as well as recognizing the role of water as a plasticizer which depresses the Tg of the amorphous domains, is essential to predict heat/moisture-mediated transformations of this biopolymer. The phase transition behaviour of granular starch and amylose-lipid complexes, as revealed by Differential Scanning Calorimetry and Thermomechanical Analysis, and the metastability of these materials are considered herein with respect to the effects of water and low molecular weight solutes.

  6. Analysis of non-equilibrium phenomena in inductively coupled plasma generators

    NASA Astrophysics Data System (ADS)

    Zhang, W.; Lani, A.; Panesi, M.

    2016-07-01

    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.

  7. NON-EQUILIBRIUM IONIZATION MODELING OF THE CURRENT SHEET IN A SIMULATED SOLAR ERUPTION

    SciTech Connect

    Shen Chengcai; Reeves, Katharine K.; Raymond, John C.; Murphy, Nicholas A.; Ko, Yuan-Kuen; Lin Jun; Mikic, Zoran; Linker, Jon A.

    2013-08-20

    The current sheet that extends from the top of flare loops and connects to an associated flux rope is a common structure in models of coronal mass ejections (CMEs). To understand the observational properties of CME current sheets, we generated predictions from a flare/CME model to be compared with observations. We use a simulation of a large-scale CME current sheet previously reported by Reeves et al. This simulation includes ohmic and coronal heating, thermal conduction, and radiative cooling in the energy equation. Using the results of this simulation, we perform time-dependent ionization calculations of the flow in a CME current sheet and construct two-dimensional spatial distributions of ionic charge states for multiple chemical elements. We use the filter responses from the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory and the predicted intensities of emission lines to compute the count rates for each of the AIA bands. The results show differences in the emission line intensities between equilibrium and non-equilibrium ionization. The current sheet plasma is underionized at low heights and overionized at large heights. At low heights in the current sheet, the intensities of the AIA 94 A and 131 A channels are lower for non-equilibrium ionization than for equilibrium ionization. At large heights, these intensities are higher for non-equilibrium ionization than for equilibrium ionization inside the current sheet. The assumption of ionization equilibrium would lead to a significant underestimate of the temperature low in the current sheet and overestimate at larger heights. We also calculate the intensities of ultraviolet lines and predict emission features to be compared with events from the Ultraviolet Coronagraph Spectrometer on the Solar and Heliospheric Observatory, including a low-intensity region around the current sheet corresponding to this model.

  8. KSTAR equilibrium operating space and projected stabilization at high normalized beta

    NASA Astrophysics Data System (ADS)

    Park, Y. S.; Sabbagh, S. A.; Berkery, J. W.; Bialek, J. M.; Jeon, Y. M.; Hahn, S. H.; Eidietis, N.; Evans, T. E.; Yoon, S. W.; Ahn, J.-W.; Kim, J.; Yang, H. L.; You, K.-I.; Bae, Y. S.; Chung, J.; Kwon, M.; Oh, Y. K.; Kim, W.-C.; Kim, J. Y.; Lee, S. G.; Park, H. K.; Reimerdes, H.; Leuer, J.; Walker, M.

    2011-05-01

    Along with an expanded evaluation of the equilibrium operating space of the Korea Superconducting Tokamak Advanced Research, KSTAR, experimental equilibria of the most recent plasma discharges were reconstructed using the EFIT code. In near-circular plasmas created in 2009, equilibria reached a stored energy of 54 kJ with a maximum plasma current of 0.34 MA. Highly shaped plasmas with near double-null configuration in 2010 achieved H-mode with clear edge localized mode (ELM) activity, and transiently reached a stored energy of up to 257 kJ, elongation of 1.96 and normalized beta of 1.3. The plasma current reached 0.7 MA. Projecting active and passive stabilization of global MHD instabilities for operation above the ideal no-wall beta limit using the designed control hardware was also considered. Kinetic modification of the ideal MHD n = 1 stability criterion was computed by the MISK code on KSTAR theoretical equilibria with a plasma current of 2 MA, internal inductance of 0.7 and normalized beta of 4.0 with simple density, temperature and rotation profiles. The steep edge pressure gradient of this equilibrium resulted in the need for significant plasma toroidal rotation to allow thermal particle kinetic resonances to stabilize the resistive wall mode (RWM). The impact of various materials and electrical connections of the passive stabilizing plates on RWM growth rates was analysed, and copper plates reduced the RWM passive growth rate by a factor of 15 compared with stainless steel plates at a normalized beta of 4.4. Computations of active RWM control using the VALEN code showed that the n = 1 mode can be stabilized at normalized beta near the ideal wall limit via control fields produced by the midplane in-vessel control coils (IVCCs) with as low as 0.83 kW control power using ideal control system assumptions. The ELM mitigation potential of the IVCC, examined by evaluating the vacuum island overlap created by resonant magnetic perturbations, was analysed using the

  9. KSTAR Equilibrium Operating Space and Projected Stabilization at High Normalized Beta

    SciTech Connect

    Park, Y. S.; Sabbagh, S. A.; Berkery, J.W.; Bialek, J.; Jeon, Y. M.; Hahn, S. H.; Eidietis, N. W.; Evans, T. E.; Yoon, S. W.; Ahn, Joonwook; Kim, J.; Yang, H. L.; You, K. I.; Soukhanovskii, V. A.; Bae, Y. S.; Chung, J. I.; Kwon, M.; Oh, Y. K.; Kim, W. C.; Kim, J. Y.; Lee, S. G.; Park, H.; Reimerdes, H.; Leuer, J. A.; Walker, M. L.

    2011-01-01

    Along with an expanded evaluation of the equilibrium operating space of the Korea Superconducting Tokamak Advanced Research, KSTAR, experimental equilibria of the most recent plasma discharges were reconstructed using the EFIT code. In near-circular plasmas created in 2009, equilibria reached a stored energy of 54 kJ with a maximum plasma current of 0.34 MA. Highly shaped plasmas with near double-null configuration in 2010 achieved H-mode with clear edge localized mode (ELM) activity, and transiently reached a stored energy of up to 257 kJ, elongation of 1.96 and normalized beta of 1.3. The plasma current reached 0.7 MA. Projecting active and passive stabilization of global MHD instabilities for operation above the ideal no-wall beta limit using the designed control hardware was also considered. Kinetic modification of the ideal MHD n = 1 stability criterion was computed by the MISK code on KSTAR theoretical equilibria with a plasma current of 2 MA, internal inductance of 0.7 and normalized beta of 4.0 with simple density, temperature and rotation profiles. The steep edge pressure gradient of this equilibrium resulted in the need for significant plasma toroidal rotation to allow thermal particle kinetic resonances to stabilize the resistive wall mode (RWM). The impact of various materials and electrical connections of the passive stabilizing plates on RWM growth rates was analysed, and copper plates reduced the RWM passive growth rate by a factor of 15 compared with stainless steel plates at a normalized beta of 4.4. Computations of active RWM control using the VALEN code showed that the n = 1 mode can be stabilized at normalized beta near the ideal wall limit via control fields produced by the midplane in-vessel control coils (IVCCs) with as low as 0.83kW control power using ideal control system assumptions. The ELM mitigation potential of the IVCC, examined by evaluating the vacuum island overlap created by resonant magnetic perturbations, was analysed using the

  10. Fast convergence to equilibrium for long-chain polymer melts using a MD/continuum hybrid method.

    PubMed

    Senda, Yasuhiro; Fujio, Miyuki; Shimamura, Shuji; Blomqvist, Janne; Nieminen, Risto M

    2012-10-21

    Effective and fast convergence toward an equilibrium state for long-chain polymer melts is realized by a hybrid method coupling molecular dynamics and the elastic continuum. The required simulation time to achieve the equilibrium state is reduced compared with conventional equilibration methods. The polymers move on a wide range phase space due to large-scale fluctuation generated by the elastic continuum. A variety of chain structures is generated in the polymer melt which results in the fast convergence to the equilibrium state.

  11. Multi-Modality Pulsed AC Source for Medical Applications of Non-Equilibrium Plasmas

    NASA Astrophysics Data System (ADS)

    Friedrichs, Daniel; Gilbert, James

    2014-10-01

    A burgeoning field has developed around the use of non-equilibrium (``cold'') plasmas for various medical applications, including wound treatment, surface sterilization, non-thermal hemostasis, and selective cell destruction. Proposed devices typically utilize pulsed DC power sources, which have no other therapeutic utility, and may encounter significant regulatory restrictions regarding their safety for use in patient care. Additionally, dedicated capital equipment is difficult for healthcare facilities to justify. In this work, we have demonstrated for the first time the generation of non-equilibrium plasma using pulsed AC output from a specially-designed electrosurgical generator. The ability to power novel non-equilibrium plasma devices from a piece of equipment already ubiquitous in operating theatres should significantly reduce the barriers to adoption of plasma devices. We demonstrate the ability of a prototype device, coupled to this source, to reduce bacterial growth in vitro. Such a system could allow a single surgical instrument to provide both non-thermal sterilization and thermal tissue dissection.

  12. Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.

    PubMed

    Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S

    2015-08-01

    Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms.

  13. SALT and Spelling Achievement.

    ERIC Educational Resources Information Center

    Nelson, Joan

    A study investigated the effects of suggestopedic accelerative learning and teaching (SALT) on the spelling achievement, attitudes toward school, and memory skills of fourth-grade students. Subjects were 20 male and 28 female students from two self-contained classrooms at Kennedy Elementary School in Rexburg, Idaho. The control classroom and the…

  14. Iowa Women of Achievement.

    ERIC Educational Resources Information Center

    Ohrn, Deborah Gore, Ed.

    1993-01-01

    This issue of the Goldfinch highlights some of Iowa's 20th century women of achievement. These women have devoted their lives to working for human rights, education, equality, and individual rights. They come from the worlds of politics, art, music, education, sports, business, entertainment, and social work. They represent Native Americans,…

  15. Schools Achieving Gender Equity.

    ERIC Educational Resources Information Center

    Revis, Emma

    This guide is designed to assist teachers presenting the Schools Achieving Gender Equity (SAGE) curriculum for vocational education students, which was developed to align gender equity concepts with the Kentucky Education Reform Act (KERA). Included in the guide are lesson plans for classes on the following topics: legal issues of gender equity,…

  16. Achieving Peace through Education.

    ERIC Educational Resources Information Center

    Clarken, Rodney H.

    While it is generally agreed that peace is desirable, there are barriers to achieving a peaceful world. These barriers are classified into three major areas: (1) an erroneous view of human nature; (2) injustice; and (3) fear of world unity. In a discussion of these barriers, it is noted that although the consciousness and conscience of the world…

  17. Explorations in achievement motivation

    NASA Technical Reports Server (NTRS)

    Helmreich, Robert L.

    1982-01-01

    Recent research on the nature of achievement motivation is reviewed. A three-factor model of intrinsic motives is presented and related to various criteria of performance, job satisfaction and leisure activities. The relationships between intrinsic and extrinsic motives are discussed. Needed areas for future research are described.

  18. Increasing Male Academic Achievement

    ERIC Educational Resources Information Center

    Jackson, Barbara Talbert

    2008-01-01

    The No Child Left Behind legislation has brought greater attention to the academic performance of American youth. Its emphasis on student achievement requires a closer analysis of assessment data by school districts. To address the findings, educators must seek strategies to remedy failing results. In a mid-Atlantic district of the Unites States,…

  19. Appraising Reading Achievement.

    ERIC Educational Resources Information Center

    Ediger, Marlow

    To determine quality sequence in pupil progress, evaluation approaches need to be used which guide the teacher to assist learners to attain optimally. Teachers must use a variety of procedures to appraise student achievement in reading, because no one approach is adequate. Appraisal approaches might include: (1) observation and subsequent…

  20. Cognitive Processes and Achievement.

    ERIC Educational Resources Information Center

    Hunt, Dennis; Randhawa, Bikkar S.

    For a group of 165 fourth- and fifth-grade students, four achievement test scores were correlated with success on nine tests designed to measure three cognitive functions: sustained attention, successive processing, and simultaneous processing. This experiment was designed in accordance with Luria's model of the three functional units of the…

  1. Graders' Mathematics Achievement

    ERIC Educational Resources Information Center

    Bond, John B.; Ellis, Arthur K.

    2013-01-01

    The purpose of this experimental study was to investigate the effects of metacognitive reflective assessment instruction on student achievement in mathematics. The study compared the performance of 141 students who practiced reflective assessment strategies with students who did not. A posttest-only control group design was employed, and results…

  2. Achieving All Our Ambitions

    ERIC Educational Resources Information Center

    Hartley, Tricia

    2009-01-01

    National learning and skills policy aims both to build economic prosperity and to achieve social justice. Participation in higher education (HE) has the potential to contribute substantially to both aims. That is why the Campaign for Learning has supported the ambition to increase the proportion of the working-age population with a Level 4…

  3. Improving Educational Achievement.

    ERIC Educational Resources Information Center

    New York University Education Quarterly, 1979

    1979-01-01

    This is a slightly abridged version of the report of the National Academy of Education panel, convened at the request of HEW Secretary Joseph Califano and Assistant Secretary for Education Mary F. Berry, to study recent declines in student achievement and methods of educational improvement. (SJL)

  4. The Achievement Club

    ERIC Educational Resources Information Center

    Rogers, Ibram

    2009-01-01

    When Gabrielle Carpenter became a guidance counselor in Northern Virginia nine years ago, she focused on the academic achievement gap and furiously tried to close it. At first, she was compelled by tremendous professional interest. However, after seeing her son lose his zeal for school, Carpenter joined forces with other parents to form an…

  5. Achievement in Problem Solving

    ERIC Educational Resources Information Center

    Friebele, David

    2010-01-01

    This Action Research Project is meant to investigate the effects of incorporating research-based instructional strategies into instruction and their subsequent effect on student achievement in the area of problem-solving. The two specific strategies utilized are the integration of manipulatives and increased social interaction on a regular basis.…

  6. Essays on Educational Achievement

    ERIC Educational Resources Information Center

    Ampaabeng, Samuel Kofi

    2013-01-01

    This dissertation examines the determinants of student outcomes--achievement, attainment, occupational choices and earnings--in three different contexts. The first two chapters focus on Ghana while the final chapter focuses on the US state of Massachusetts. In the first chapter, I exploit the incidence of famine and malnutrition that resulted to…

  7. Advancing Student Achievement

    ERIC Educational Resources Information Center

    Walberg, Herbert J.

    2010-01-01

    For the last half century, higher spending and many modern reforms have failed to raise the achievement of students in the United States to the levels of other economically advanced countries. A possible explanation, says Herbert Walberg, is that much current education theory is ill informed about scientific psychology, often drawing on fads and…

  8. NCLB: Achievement Robin Hood?

    ERIC Educational Resources Information Center

    Bracey, Gerald W.

    2008-01-01

    In his "Wall Street Journal" op-ed on the 25th of anniversary of "A Nation At Risk", former assistant secretary of education Chester E. Finn Jr. applauded the report for turning U.S. education away from equality and toward achievement. It was not surprising, then, that in mid-2008, Finn arranged a conference to examine the…

  9. Helicity induced thermal conductivity reduction in superlattice nanowires

    NASA Astrophysics Data System (ADS)

    Varshney, Vikas; Roy, Ajit K.; Lee, Jonghoon; Dudis, Douglas S.; Farmer, Barry L.

    2012-12-01

    In this study, we have performed non-equilibrium molecular dynamics (NEMD) simulations to investigate thermal transport properties of 'model' bi-component helical nanowires. The results indicate that significant reduction in thermal conductivity, similar to that of flat superlattice nanostructures, can be achieved using a helical geometric configuration. The reduction is attributed to a plethora of transmissive and reflective phonon scattering events resulting from the steady alteration of phonon propagating direction that emerges from the continuous rotation of the helical interface. We also show that increasing the relative mass ratio of the two components lowers the phonon energy transmission at the interface (differences in vibrational frequency spectrum), thereby relatively 'easing' the phonon energy propagation along the helical pathway. While the proposed mechanisms result in a reduced lattice thermal conductivity, the continuous nature of the bi-component nanowire would not be expected to significantly reduce its electrical counterpart, as often occurs in superlattice/alloy nanostructures. Hence, we believe that the helical configuration of atomic arrangement should be a very attractive, general approach for improved thermoelectric material assemblies independent of the specific chemical composition.

  10. Flow reactor studies of non-equilibrium plasma-assisted oxidation of n-alkanes.

    PubMed

    Tsolas, Nicholas; Lee, Jong Guen; Yetter, Richard A

    2015-08-13

    The oxidation of n-alkanes (C1-C7) has been studied with and without the effects of a nanosecond, non-equilibrium plasma discharge at 1 atm pressure from 420 to 1250 K. Experiments have been performed under nearly isothermal conditions in a flow reactor, where reactive mixtures are diluted in Ar to minimize temperature changes from chemical reactions. Sample extraction performed at the exit of the reactor captures product and intermediate species and stores them in a multi-position valve for subsequent identification and quantification using gas chromatography. By fixing the flow rate in the reactor and varying the temperature, reactivity maps for the oxidation of fuels are achieved. Considering all the fuels studied, fuel consumption under the effects of the plasma is shown to have been enhanced significantly, particularly for the low-temperature regime (T<800 K). In fact, multiple transitions in the rates of fuel consumption are observed depending on fuel with the emergence of a negative-temperature-coefficient regime. For all fuels, the temperature for the transition into the high-temperature chemistry is lowered as a consequence of the plasma being able to increase the rate of fuel consumption. Using a phenomenological interpretation of the intermediate species formed, it can be shown that the active particles produced from the plasma enhance alkyl radical formation at all temperatures and enable low-temperature chain branching for fuels C3 and greater. The significance of this result demonstrates that the plasma provides an opportunity for low-temperature chain branching to occur at reduced pressures, which is typically observed at elevated pressures in thermal induced systems.

  11. Spectra from pair-equilibrium plasmas

    NASA Technical Reports Server (NTRS)

    Zdziarski, A. A.

    1984-01-01

    A numerical model of relativistic nonmagnetized plasma with uniform temperature and electron density distributions is considered, and spectra from plasma in pair equilibrium are studied. A range of dimensionless temperature (T) greater than about 0.2 is considered. The spectra from low pair density plasmas in pair equilibrium vary from un-Comptonized bremsstrahlung spectra at Thomson cross section tau(N) much less than one to Comptonized bremsstrahlung spectra with tau(N) over one. For high pair density plasmas the spectra are flat for T greater than about one, and have broad intensity peaks at energy roughly equal to 3T for T less than one. In the latter region the total luminosity is approximately twice the annihilation luminosity. All spectra are flat in the X-ray region, in contradiction to observed AGN spectra. For dimensionless luminosity greater than about 100, the cooling time becomes shorter than the Thomson time.

  12. Fluctuation theorem for constrained equilibrium systems.

    PubMed

    Gilbert, Thomas; Dorfman, J Robert

    2006-02-01

    We discuss the fluctuation properties of equilibrium chaotic systems with constraints such as isokinetic and Nosé-Hoover thermostats. Although the dynamics of these systems does not typically preserve phase-space volumes, the average phase-space contraction rate vanishes, so that the stationary states are smooth. Nevertheless, finite-time averages of the phase-space contraction rate have nontrivial fluctuations which we show satisfy a simple version of the Gallavotti-Cohen fluctuation theorem, complementary to the usual fluctuation theorem for nonequilibrium stationary states and appropriate to constrained equilibrium states. Moreover, we show that these fluctuations are distributed according to a Gaussian curve for long enough times. Three different systems are considered here: namely, (i) a fluid composed of particles interacting with Lennard-Jones potentials, (ii) a harmonic oscillator with Nosé-Hoover thermostatting, and (iii) a simple hyperbolic two-dimensional map.

  13. Fluctuation theorem for constrained equilibrium systems

    NASA Astrophysics Data System (ADS)

    Gilbert, Thomas; Dorfman, J. Robert

    2006-02-01

    We discuss the fluctuation properties of equilibrium chaotic systems with constraints such as isokinetic and Nosé-Hoover thermostats. Although the dynamics of these systems does not typically preserve phase-space volumes, the average phase-space contraction rate vanishes, so that the stationary states are smooth. Nevertheless, finite-time averages of the phase-space contraction rate have nontrivial fluctuations which we show satisfy a simple version of the Gallavotti-Cohen fluctuation theorem, complementary to the usual fluctuation theorem for nonequilibrium stationary states and appropriate to constrained equilibrium states. Moreover, we show that these fluctuations are distributed according to a Gaussian curve for long enough times. Three different systems are considered here: namely, (i) a fluid composed of particles interacting with Lennard-Jones potentials, (ii) a harmonic oscillator with Nosé-Hoover thermostatting, and (iii) a simple hyperbolic two-dimensional map.

  14. Adaptive resolution simulation in equilibrium and beyond

    NASA Astrophysics Data System (ADS)

    Wang, H.; Agarwal, A.

    2015-09-01

    In this paper, we investigate the equilibrium statistical properties of both the force and potential interpolations of adaptive resolution simulation (AdResS) under the theoretical framework of grand-canonical like AdResS (GC-AdResS). The thermodynamic relations between the higher and lower resolutions are derived by considering the absence of fundamental conservation laws in mechanics for both branches of AdResS. In order to investigate the applicability of AdResS method in studying the properties beyond the equilibrium, we demonstrate the accuracy of AdResS in computing the dynamical properties in two numerical examples: The velocity auto-correlation of pure water and the conformational relaxation of alanine dipeptide dissolved in water. Theoretical and technical open questions of the AdResS method are discussed in the end of the paper.

  15. Cosmic curvature from de Sitter equilibrium cosmology.

    PubMed

    Albrecht, Andreas

    2011-10-07

    I show that the de Sitter equilibrium cosmology generically predicts observable levels of curvature in the Universe today. The predicted value of the curvature, Ω(k), depends only on the ratio of the density of nonrelativistic matter to cosmological constant density ρ(m)(0)/ρ(Λ) and the value of the curvature from the initial bubble that starts the inflation, Ω(k)(B). The result is independent of the scale of inflation, the shape of the potential during inflation, and many other details of the cosmology. Future cosmological measurements of ρ(m)(0)/ρ(Λ) and Ω(k) will open up a window on the very beginning of our Universe and offer an opportunity to support or falsify the de Sitter equilibrium cosmology.

  16. Equilibrium properties on the EAST superconducting tokamak

    NASA Astrophysics Data System (ADS)

    Qian, J. P.; Wan, B. N.; Lao, L. L.; Shen, B.; Sabbagh, S. A.; Menard, J.; Sun, Y. W.; Duan, Y. M.; Li, J. H.; Xiao, B. J.; Gong, X. Z.; Gong

    2009-06-01

    The Experimental Advanced Superconducting Tokamak (EAST) has a major radius of R0 = 1.75 m and a midplane halfwidth of 0.5 m. It has been operated with a toroidal magnetic field B0 = 2 T and Ip ≤ 500 kA. The evolution of the plasma equilibrium is analysed between discharges by Equilibrium Fitting Code (EFIT). Limiter, single-null and double-null diverted configurations have been produced. A plasma elongation in the range 1.3 ≤ κ ≤ 1.9 and a triangularity in the range 0.1 ≤ δ ≤ 0.55 have been sustained. The operation space of elongated discharges is also presented based on the EAST database.

  17. Instability of quantum equilibrium in Bohm's dynamics

    PubMed Central

    Colin, Samuel; Valentini, Antony

    2014-01-01

    We consider Bohm's second-order dynamics for arbitrary initial conditions in phase space. In principle, Bohm's dynamics allows for ‘extended’ non-equilibrium, with initial momenta not equal to the gradient of phase of the wave function (as well as initial positions whose distribution departs from the Born rule). We show that extended non-equilibrium does not relax in general and is in fact unstable. This is in sharp contrast with de Broglie's first-order dynamics, for which non-standard momenta are not allowed and which shows an efficient relaxation to the Born rule for positions. On this basis, we argue that, while de Broglie's dynamics is a tenable physical theory, Bohm's dynamics is not. In a world governed by Bohm's dynamics, there would be no reason to expect to see an effective quantum theory today (even approximately), in contradiction with observation. PMID:25383020

  18. Phase Equilibrium Investigations of Planetary Materials

    NASA Technical Reports Server (NTRS)

    Grove, T. L.

    2005-01-01

    This grant provided funds to carry out phase equilibrium studies on the processes of chemical differentiation of the moon and the meteorite parent bodies, during their early evolutionary history. Several experimental studies examined processes that led to the formation of lunar ultramafic glasses. Phase equilibrium studies were carried out on selected low-Ti and high-Ti lunar ultramafic glass compositions to provide constraints on the depth range, temperature and processes of melt generation and/or assimilation. A second set of experiments examined the role of sulfide melts in core formation processes in the earth and terrestrial planets. The major results of each paper are discussed, and copies of the papers are attached as Appendix I.

  19. Equilibrium Reconstruction of KSTAR First Plasma

    NASA Astrophysics Data System (ADS)

    You, K.-I.; Lee, D. K.; Park, B. H.; Lee, S. G.; Bak, J. G.; Seo, S. H.; Hahn, S. H.; Lao, L. L.

    2008-11-01

    To reconstruct the plasma equilibrium of KSTAR (Korea Superconducting Tokamak Advanced Research), we have made some modification to the EFIT code and installed it on our computing system. An MDSplus system is used for the data storage of KSTAR; thus, the EFIT reads experimental data from the MDSplus server and writes the results to it. We have modified some subroutines of the EFIT code for direct link with the MDSplus server. KSTAR PF and TF coil systems use a CICC (Cable-In-Conduit Conductor) type superconductor. The CICC jacket material for most PF and all TF coils is Incoloy 908, which is a magnetic material with relative magnetic permeability greater than 10 in low external field. The Incoloy 908 effects should, therefore, be considered in analyzing the magnetic diagnostics data. In this paper, we present our efforts to reconstruct the plasma equilibrium with EFIT code, including the compensation of Incoloy 908 effects.

  20. Molecular equilibrium with condensation. [in astrophysics

    NASA Technical Reports Server (NTRS)

    Sharp, C. M.; Huebner, W. F.

    1990-01-01

    Minimization of the Gibbs energy of formation for species of chemical elements and compounds in their gas and condensed phases determines their relative abundances in a mixture in chemical equilibrium. The procedure is more general and more powerful than previous abundance determinations in multiphase astrophysical mixtures. Some results for astrophysical equations of state are presented, and the effects of condensation on opacity are briefly indicated.