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Sample records for thermodynamically consistent continuum

  1. Dissipation consistent fabric tensor definition from DEM to continuum for granular media

    Science.gov (United States)

    Li, X. S.; Dafalias, Y. F.

    2015-05-01

    In elastoplastic soil models aimed at capturing the impact of fabric anisotropy, a necessary ingredient is a measure of anisotropic fabric in the form of an evolving tensor. While it is possible to formulate such a fabric tensor based on indirect phenomenological observations at the continuum level, it is more effective and insightful to have the tensor defined first based on direct particle level microstructural observations and subsequently deduce a corresponding continuum definition. A practical means able to provide such observations, at least in the context of fabric evolution mechanisms, is the discrete element method (DEM). Some DEM defined fabric tensors such as the one based on the statistics of interparticle contact normals have already gained widespread acceptance as a quantitative measure of fabric anisotropy among researchers of granular material behavior. On the other hand, a fabric tensor in continuum elastoplastic modeling has been treated as a tensor-valued internal variable whose evolution must be properly linked to physical dissipation. Accordingly, the adaptation of a DEM fabric tensor definition to a continuum constitutive modeling theory must be thermodynamically consistent in regards to dissipation mechanisms. The present paper addresses this issue in detail, brings up possible pitfalls if such consistency is violated and proposes remedies and guidelines for such adaptation within a recently developed Anisotropic Critical State Theory (ACST) for granular materials.

  2. Quasiparticles and thermodynamical consistency

    International Nuclear Information System (INIS)

    Shanenko, A.A.; Biro, T.S.; Toneev, V.D.

    2003-01-01

    A brief and simple introduction into the problem of the thermodynamical consistency is given. The thermodynamical consistency relations, which should be taken into account under constructing a quasiparticle model, are found in a general manner from the finite-temperature extension of the Hellmann-Feynman theorem. Restrictions following from these relations are illustrated by simple physical examples. (author)

  3. Toward thermodynamic consistency of quasiparticle picture

    International Nuclear Information System (INIS)

    Biro, T.S.; Toneev, V.D.; Shanenko, A.A.

    2003-01-01

    The purpose of the present article is to call attention to some realistic quasiparticle-based description of quark/gluon matter and its consistent implementation in thermodynamics. A simple and transparent representation of the thermodynamic consistency conditions is given. This representation allows one to review critically and systemize available phenomenological approaches to the deconfinement problem with respect to their thermodynamic consistency. Particular attention is paid to the development of a method for treating the string screening in the dense matter of unbound color charges. The proposed method yields an integrable effective pair potential that can be incorporated into the mean-field picture. The results of its application are in reasonable agreement with lattice data on the QCD thermodynamics

  4. Towards thermodynamical consistency of quasiparticle picture

    International Nuclear Information System (INIS)

    Biro, T.S.; Shanenko, A.A.; Toneev, V.D.; Research Inst. for Particle and Nuclear Physics, Hungarian Academy of Sciences, Budapest

    2003-01-01

    The purpose of the present article is to call attention to some realistic quasi-particle-based description of the quark/gluon matter and its consistent implementation in thermodynamics. A simple and transparent representation of the thermodynamical consistency conditions is given. This representation allows one to review critically and systemize available phenomenological approaches to the deconfinement problem with respect to their thermodynamical consistency. A particular attention is paid to the development of a method for treating the string screening in the dense matter of unbound color charges. The proposed method yields an integrable effective pair potential, which can be incorporated into the mean-field picture. The results of its application are in reasonable agreement with lattice data on the QCD thermodynamics [ru

  5. Continuum Thermodynamics - Part II: Applications and Examples

    Science.gov (United States)

    Albers, Bettina; Wilmanski, Krzysztof

    The intention by writing Part II of the book on continuum thermodynamics was the deepening of some issues covered in Part I as well as a development of certain skills in dealing with practical problems of oscopic processes. However, the main motivation for this part is the presentation of main facets of thermodynamics which appear when interdisciplinary problems are considered. There are many monographs on the subjects of solid mechanics and thermomechanics, on fluid mechanics and on coupled fields but most of them cover only special problems in great details which are characteristic for the chosen field. It is rather seldom that relations between these fields are discussed. This concerns, for instance, large deformations of the skeleton of porous materials with diffusion (e.g. lungs), couplings of deformable particles with the fluid motion in suspensions, couplings of adsorption processes and chemical reactions in immiscible mixtures with diffusion, various multi-component aspects of the motion, e.g. of avalanches, such as segregation processes, etc...

  6. Thermodynamically consistent model of brittle oil shales under overpressure

    Science.gov (United States)

    Izvekov, Oleg

    2016-04-01

    The concept of dual porosity is a common way for simulation of oil shale production. In the frame of this concept the porous fractured media is considered as superposition of two permeable continua with mass exchange. As a rule the concept doesn't take into account such as the well-known phenomenon as slip along natural fractures, overpressure in low permeability matrix and so on. Overpressure can lead to development of secondary fractures in low permeability matrix in the process of drilling and pressure reduction during production. In this work a new thermodynamically consistent model which generalizes the model of dual porosity is proposed. Particularities of the model are as follows. The set of natural fractures is considered as permeable continuum. Damage mechanics is applied to simulation of secondary fractures development in low permeability matrix. Slip along natural fractures is simulated in the frame of plasticity theory with Drucker-Prager criterion.

  7. Consistent thermodynamic properties of lipids systems

    DEFF Research Database (Denmark)

    Cunico, Larissa; Ceriani, Roberta; Sarup, Bent

    different pressures, with azeotrope behavior observed. Available thermodynamic consistency tests for TPx data were applied before performing parameter regressions for Wilson, NRTL, UNIQUAC and original UNIFAC models. The relevance of enlarging experimental databank of lipids systems data in order to improve......Physical and thermodynamic properties of pure components and their mixtures are the basic requirement for process design, simulation, and optimization. In the case of lipids, our previous works[1-3] have indicated a lack of experimental data for pure components and also for their mixtures...... the performance of predictive thermodynamic models was confirmed in this work by analyzing the calculated values of original UNIFAC model. For solid-liquid equilibrium (SLE) data, new consistency tests have been developed [2]. Some of the developed tests were based in the quality tests proposed for VLE data...

  8. Thermodynamically consistent model calibration in chemical kinetics

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2011-05-01

    Full Text Available Abstract Background The dynamics of biochemical reaction systems are constrained by the fundamental laws of thermodynamics, which impose well-defined relationships among the reaction rate constants characterizing these systems. Constructing biochemical reaction systems from experimental observations often leads to parameter values that do not satisfy the necessary thermodynamic constraints. This can result in models that are not physically realizable and may lead to inaccurate, or even erroneous, descriptions of cellular function. Results We introduce a thermodynamically consistent model calibration (TCMC method that can be effectively used to provide thermodynamically feasible values for the parameters of an open biochemical reaction system. The proposed method formulates the model calibration problem as a constrained optimization problem that takes thermodynamic constraints (and, if desired, additional non-thermodynamic constraints into account. By calculating thermodynamically feasible values for the kinetic parameters of a well-known model of the EGF/ERK signaling cascade, we demonstrate the qualitative and quantitative significance of imposing thermodynamic constraints on these parameters and the effectiveness of our method for accomplishing this important task. MATLAB software, using the Systems Biology Toolbox 2.1, can be accessed from http://www.cis.jhu.edu/~goutsias/CSS lab/software.html. An SBML file containing the thermodynamically feasible EGF/ERK signaling cascade model can be found in the BioModels database. Conclusions TCMC is a simple and flexible method for obtaining physically plausible values for the kinetic parameters of open biochemical reaction systems. It can be effectively used to recalculate a thermodynamically consistent set of parameter values for existing thermodynamically infeasible biochemical reaction models of cellular function as well as to estimate thermodynamically feasible values for the parameters of new

  9. Relating Deformation and Thermodynamics: An Opportunity for Rethinking Basic Concepts of Continuum Mechanics

    Directory of Open Access Journals (Sweden)

    Giuseppe Guzzetta

    2013-06-01

    Full Text Available In order to treat deformation as one of the processes taking place in an irreversible thermodynamic transformation, two main conditions must be satisfied: (1 strain and stress should be defined in such a way that the modification of the symmetry of these tensorial quantities reflects that of the structure of the actual material of which the deforming ideal continuum is the counterpart; and (2 the unique decomposition of the above tensors into the algebraic sum of an isotropic and an anisotropic part with different physical meanings should be recognized. The first condition allows the distinction of the energy balance in irrotational and rotational deformations; the second allows the description of a thermodynamic transformation involving deformation as a function of both process quantities, whose values depend on the specific transition, or path, between two equilibrium states, and of state quantities, which describe equilibrium states of a system quantitatively. One of the main conclusions that can be drawn is that, dealing with deformable materials, the quantities that must appear in thermodynamic equations cannot be tensorial quantities, such as the stress tensor and the infinitesimal or finite strain tensor usually considered in continuum mechanics (or, even worse, their components. The appropriate quantities should be invariants involved by the strain and stress tensors here defined. Another important conclusion is that, from a thermodynamic point of view, the consideration of the measurable volume change occurring in an isothermal deformation does not itself give any meaningful information.

  10. Multiphase flows of N immiscible incompressible fluids: A reduction-consistent and thermodynamically-consistent formulation and associated algorithm

    Science.gov (United States)

    Dong, S.

    2018-05-01

    We present a reduction-consistent and thermodynamically consistent formulation and an associated numerical algorithm for simulating the dynamics of an isothermal mixture consisting of N (N ⩾ 2) immiscible incompressible fluids with different physical properties (densities, viscosities, and pair-wise surface tensions). By reduction consistency we refer to the property that if only a set of M (1 ⩽ M ⩽ N - 1) fluids are present in the system then the N-phase governing equations and boundary conditions will exactly reduce to those for the corresponding M-phase system. By thermodynamic consistency we refer to the property that the formulation honors the thermodynamic principles. Our N-phase formulation is developed based on a more general method that allows for the systematic construction of reduction-consistent formulations, and the method suggests the existence of many possible forms of reduction-consistent and thermodynamically consistent N-phase formulations. Extensive numerical experiments have been presented for flow problems involving multiple fluid components and large density ratios and large viscosity ratios, and the simulation results are compared with the physical theories or the available physical solutions. The comparisons demonstrate that our method produces physically accurate results for this class of problems.

  11. Thermodynamically consistent data-driven computational mechanics

    Science.gov (United States)

    González, David; Chinesta, Francisco; Cueto, Elías

    2018-05-01

    In the paradigm of data-intensive science, automated, unsupervised discovering of governing equations for a given physical phenomenon has attracted a lot of attention in several branches of applied sciences. In this work, we propose a method able to avoid the identification of the constitutive equations of complex systems and rather work in a purely numerical manner by employing experimental data. In sharp contrast to most existing techniques, this method does not rely on the assumption on any particular form for the model (other than some fundamental restrictions placed by classical physics such as the second law of thermodynamics, for instance) nor forces the algorithm to find among a predefined set of operators those whose predictions fit best to the available data. Instead, the method is able to identify both the Hamiltonian (conservative) and dissipative parts of the dynamics while satisfying fundamental laws such as energy conservation or positive production of entropy, for instance. The proposed method is tested against some examples of discrete as well as continuum mechanics, whose accurate results demonstrate the validity of the proposed approach.

  12. Continuum Damage Mechanics A Continuum Mechanics Approach to the Analysis of Damage and Fracture

    CERN Document Server

    Murakami, Sumio

    2012-01-01

    Recent developments in engineering and technology have brought about serious and enlarged demands for reliability, safety and economy in wide range of fields such as aeronautics, nuclear engineering, civil and structural engineering, automotive and production industry.  This, in turn, has caused more interest in continuum damage mechanics and its engineering applications.   This book aims to give a concise overview of the current state of damage mechanics, and then to show the fascinating possibility of this promising branch of mechanics, and to provide researchers, engineers and graduate students with an intelligible and self-contained textbook.   The book consists of two parts and an appendix.  Part I  is concerned with the foundation of continuum damage mechanics.  Basic concepts of material damage and the mechanical representation of damage state of various kinds are described in Chapters 1 and 2.  In Chapters 3-5, irreversible thermodynamics, thermodynamic constitutive theory and its application ...

  13. Importance of self-consistency in relativistic continuum random-phase approximation calculations

    International Nuclear Information System (INIS)

    Yang Ding; Cao Ligang; Tian Yuan; Ma Zhongyu

    2010-01-01

    A fully consistent relativistic continuum random phase approximation (RCRPA) is constructed, where the contribution of the continuum spectrum to nuclear excitations is treated exactly by the single-particle Green's function technique. The full consistency of the calculations is achieved that the same effective Lagrangian is adopted for the ground state and the excited states. The negative energy states in the Dirac sea are also included in the single-particle Green's function in the no-sea approximation. The currents from the vector meson and photon exchanges and the Coulomb interaction in RCRPA are treated exactly. The spin-orbit interaction is included naturally in the relativistic frame. Numerical results of the RCRPA are checked with the constrained relativistic mean-field theory. We study the effects of the inconsistency, particularly the currents and Coulomb interaction in various collective multipole excitations.

  14. Thermodynamics of a Compressible Maier-Saupe Model Based on the Self-Consistent Field Theory of Wormlike Polymer

    Directory of Open Access Journals (Sweden)

    Ying Jiang

    2017-02-01

    Full Text Available This paper presents a theoretical formalism for describing systems of semiflexible polymers, which can have density variations due to finite compressibility and exhibit an isotropic-nematic transition. The molecular architecture of the semiflexible polymers is described by a continuum wormlike-chain model. The non-bonded interactions are described through a functional of two collective variables, the local density and local segmental orientation tensor. In particular, the functional depends quadratically on local density-variations and includes a Maier–Saupe-type term to deal with the orientational ordering. The specified density-dependence stems from a free energy expansion, where the free energy of an isotropic and homogeneous homopolymer melt at some fixed density serves as a reference state. Using this framework, a self-consistent field theory is developed, which produces a Helmholtz free energy that can be used for the calculation of the thermodynamics of the system. The thermodynamic properties are analysed as functions of the compressibility of the model, for values of the compressibility realizable in mesoscopic simulations with soft interactions and in actual polymeric materials.

  15. Thermodynamically self-consistent integral equations and the structure of liquid metals

    International Nuclear Information System (INIS)

    Pastore, G.; Kahl, G.

    1987-01-01

    We discuss the application of the new thermodynamically self-consistent integral equations for the determination of the structural properties of liquid metals. We present a detailed comparison of the structure (S(q) and g(r)) for models of liquid alkali metals as obtained from two thermodynamically self-consistent integral equations and some published exact computer simulation results; the range of states extends from the triple point to the expanded metal. The theories which only impose thermodynamic self-consistency without any fitting of external data show an excellent agreement with the simulation results, thus demonstrating that this new type of integral equation is definitely superior to the conventional ones (hypernetted chain, Percus-Yevick, mean spherical approximation, etc). (author)

  16. A new self-consistent model for thermodynamics of binary solutions

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Shan, Y. V.; Fischer, F. D.

    2015-01-01

    Roč. 108, NOV (2015), s. 27-30 ISSN 1359-6462 R&D Projects: GA ČR(CZ) GA14-24252S Institutional support: RVO:68081723 Keywords : Thermodynamics * Analytical methods * CALPHAD * Phase diagram * Self-consistent model Subject RIV: BJ - Thermodynamics Impact factor: 3.305, year: 2015

  17. Thermodynamically consistent Bayesian analysis of closed biochemical reaction systems

    Directory of Open Access Journals (Sweden)

    Goutsias John

    2010-11-01

    Full Text Available Abstract Background Estimating the rate constants of a biochemical reaction system with known stoichiometry from noisy time series measurements of molecular concentrations is an important step for building predictive models of cellular function. Inference techniques currently available in the literature may produce rate constant values that defy necessary constraints imposed by the fundamental laws of thermodynamics. As a result, these techniques may lead to biochemical reaction systems whose concentration dynamics could not possibly occur in nature. Therefore, development of a thermodynamically consistent approach for estimating the rate constants of a biochemical reaction system is highly desirable. Results We introduce a Bayesian analysis approach for computing thermodynamically consistent estimates of the rate constants of a closed biochemical reaction system with known stoichiometry given experimental data. Our method employs an appropriately designed prior probability density function that effectively integrates fundamental biophysical and thermodynamic knowledge into the inference problem. Moreover, it takes into account experimental strategies for collecting informative observations of molecular concentrations through perturbations. The proposed method employs a maximization-expectation-maximization algorithm that provides thermodynamically feasible estimates of the rate constant values and computes appropriate measures of estimation accuracy. We demonstrate various aspects of the proposed method on synthetic data obtained by simulating a subset of a well-known model of the EGF/ERK signaling pathway, and examine its robustness under conditions that violate key assumptions. Software, coded in MATLAB®, which implements all Bayesian analysis techniques discussed in this paper, is available free of charge at http://www.cis.jhu.edu/~goutsias/CSS%20lab/software.html. Conclusions Our approach provides an attractive statistical methodology for

  18. Hyperbolic conservation laws in continuum physics

    CERN Document Server

    Dafermos, Constantine M

    2016-01-01

    This is a masterly exposition and an encyclopedic presentation of the theory of hyperbolic conservation laws. It illustrates the essential role of continuum thermodynamics in providing motivation and direction for the development of the mathematical theory while also serving as the principal source of applications. The reader is expected to have a certain mathematical sophistication and to be familiar with (at least) the rudiments of analysis and the qualitative theory of partial differential equations, whereas prior exposure to continuum physics is not required. The target group of readers would consist of (a) experts in the mathematical theory of hyperbolic systems of conservation laws who wish to learn about the connection with classical physics; (b) specialists in continuum mechanics who may need analytical tools; (c) experts in numerical analysis who wish to learn the underlying mathematical theory; and (d) analysts and graduate students who seek introduction to the theory of hyperbolic systems of conser...

  19. The Markov process admits a consistent steady-state thermodynamic formalism

    Science.gov (United States)

    Peng, Liangrong; Zhu, Yi; Hong, Liu

    2018-01-01

    The search for a unified formulation for describing various non-equilibrium processes is a central task of modern non-equilibrium thermodynamics. In this paper, a novel steady-state thermodynamic formalism was established for general Markov processes described by the Chapman-Kolmogorov equation. Furthermore, corresponding formalisms of steady-state thermodynamics for the master equation and Fokker-Planck equation could be rigorously derived in mathematics. To be concrete, we proved that (1) in the limit of continuous time, the steady-state thermodynamic formalism for the Chapman-Kolmogorov equation fully agrees with that for the master equation; (2) a similar one-to-one correspondence could be established rigorously between the master equation and Fokker-Planck equation in the limit of large system size; (3) when a Markov process is restrained to one-step jump, the steady-state thermodynamic formalism for the Fokker-Planck equation with discrete state variables also goes to that for master equations, as the discretization step gets smaller and smaller. Our analysis indicated that general Markov processes admit a unified and self-consistent non-equilibrium steady-state thermodynamic formalism, regardless of underlying detailed models.

  20. Continuum mechanics and thermodynamics in the Hamilton and the Godunov-type formulations

    Science.gov (United States)

    Peshkov, Ilya; Pavelka, Michal; Romenski, Evgeniy; Grmela, Miroslav

    2018-01-01

    Continuum mechanics with dislocations, with the Cattaneo-type heat conduction, with mass transfer, and with electromagnetic fields is put into the Hamiltonian form and into the form of the Godunov-type system of the first-order, symmetric hyperbolic partial differential equations (SHTC equations). The compatibility with thermodynamics of the time reversible part of the governing equations is mathematically expressed in the former formulation as degeneracy of the Hamiltonian structure and in the latter formulation as the existence of a companion conservation law. In both formulations the time irreversible part represents gradient dynamics. The Godunov-type formulation brings the mathematical rigor (the local well posedness of the Cauchy initial value problem) and the possibility to discretize while keeping the physical content of the governing equations (the Godunov finite volume discretization).

  1. Thermodynamically consistent mesoscopic model of the ferro/paramagnetic transition

    Czech Academy of Sciences Publication Activity Database

    Benešová, Barbora; Kružík, Martin; Roubíček, Tomáš

    2013-01-01

    Roč. 64, Č. 1 (2013), s. 1-28 ISSN 0044-2275 R&D Projects: GA AV ČR IAA100750802; GA ČR GA106/09/1573; GA ČR GAP201/10/0357 Grant - others:GA ČR(CZ) GA106/08/1397; GA MŠk(CZ) LC06052 Program:GA; LC Institutional support: RVO:67985556 Keywords : ferro-para-magnetism * evolution * thermodynamics Subject RIV: BA - General Mathematics; BA - General Mathematics (UT-L) Impact factor: 1.214, year: 2013 http://library.utia.cas.cz/separaty/2012/MTR/kruzik-thermodynamically consistent mesoscopic model of the ferro-paramagnetic transition.pdf

  2. A constitutive model for magnetostriction based on thermodynamic framework

    International Nuclear Information System (INIS)

    Ho, Kwangsoo

    2016-01-01

    This work presents a general framework for the continuum-based formulation of dissipative materials with magneto–mechanical coupling in the viewpoint of irreversible thermodynamics. The thermodynamically consistent model developed for the magnetic hysteresis is extended to include the magnetostrictive effect. The dissipative and hysteretic response of magnetostrictive materials is captured through the introduction of internal state variables. The evolution rate of magnetostrictive strain as well as magnetization is derived from thermodynamic and dissipative potentials in accordance with the general principles of thermodynamics. It is then demonstrated that the constitutive model is competent to describe the magneto-mechanical behavior by comparing simulation results with the experimental data reported in the literature. - Highlights: • A thermodynamically consistent model is proposed to describe the magneto-mechanical coupling effect. • Internal state variables are introduced to capture the dissipative material response. • The evolution rate of the magnetostrictive strain is derived through thermodynamic and dissipation potentials.

  3. Thermodynamically consistent coarse graining of biocatalysts beyond Michaelis–Menten

    Science.gov (United States)

    Wachtel, Artur; Rao, Riccardo; Esposito, Massimiliano

    2018-04-01

    Starting from the detailed catalytic mechanism of a biocatalyst we provide a coarse-graining procedure which, by construction, is thermodynamically consistent. This procedure provides stoichiometries, reaction fluxes (rate laws), and reaction forces (Gibbs energies of reaction) for the coarse-grained level. It can treat active transporters and molecular machines, and thus extends the applicability of ideas that originated in enzyme kinetics. Our results lay the foundations for systematic studies of the thermodynamics of large-scale biochemical reaction networks. Moreover, we identify the conditions under which a relation between one-way fluxes and forces holds at the coarse-grained level as it holds at the detailed level. In doing so, we clarify the speculations and broad claims made in the literature about such a general flux–force relation. As a further consequence we show that, in contrast to common belief, the second law of thermodynamics does not require the currents and the forces of biochemical reaction networks to be always aligned.

  4. Thermodynamically Consistent Algorithms for the Solution of Phase-Field Models

    KAUST Repository

    Vignal, Philippe

    2016-01-01

    of thermodynamically consistent algorithms for time integration of phase-field models. The first part of this thesis focuses on an energy-stable numerical strategy developed for the phase-field crystal equation. This model was put forward to model microstructure

  5. A fresh look at the thermodynamic consistency of vapour-liquid equilibria data

    International Nuclear Information System (INIS)

    Wisniak, Jaime; Ortega, Juan; Fernández, Luis

    2017-01-01

    Highlights: • The thermodynamic consistency tests commonly used to evaluate VLE data are presented and discussed. • Advantages/disadvantages for each one of test are listed using actual examples. • All manuscripts should include information about VLE variables and test results. • In any case, the Herington test should not be used for VLE data evaluation. • Simultaneous application of several tests is recommended. - Abstract: Design of a separation unit requires real information about the phase equilibrium of the system being handled. Accurate equilibrium data allows the best design from a thermodynamic viewpoint and contributes to a better knowledge about the behaviour of fluids and their mixtures. The principles behind the concept of thermodynamic consistency are presented and discussed. The present state of the art shows that no definite test is available for insuring the quality of the measured values. The main available procedures for testing the consistency of vapour-liquid equilibrium (VLE) data at constant temperature or pressure are reviewed and analysed and recommendations provided for their proper use, for the presentation of VLE results, and also some possible means for determining their quality. Suitable examples are provided about the adequate use of the available tests and about their misuse.

  6. Comparative study of shale-gas production using single- and dual-continuum approaches

    KAUST Repository

    El-Amin, Mohamed

    2017-07-06

    In this paper, we explore the possibility of specifying the ideal hypothetical positions of matrices blocks and fractures in fractured porous media as a single-continuum reservoir model in a way that mimics the dual-porosity dual-permeability (DPDP) configuration. In order to get an ideal mimic, we use the typical configuration and geometrical hypotheses of the DPDP model for the SDFM. Unlike the DPDP model which consists of two equations for the two-continuum coupled by a transfer term, the proposed single-domain fracture model (SDFM) model consists of a single equation for the single-continuum. Each one of the two models includes slippage effect, adsorption, Knudsen diffusion, geomechanics, and thermodynamics deviation factor. For the thermodynamics calculations, the cubic Peng-Robinson equation of state is employed. The diffusion model is verified by calculating the total mass flux through a nanopore by combination of slip flow and Knudsen diffusion and compared with experimental data. A semi-implicit scheme is used for the time discretization while the thermodynamics equations are updated explicitly. The spatial discretization is done using the cell-centered finite difference (CCFD) method. Finally, numerical experiments are performed under variations of the physical parameters. Several results are discussed such as pressure, production rate and cumulative production. We compare the results of the two models using the same dimensions and physical and computational parameters. We found that the DPDP and the SDFM models production rate and cumulative production behave similarly with approximately the same slope but with some differences in values. Moreover, we found that the poroelasticity effect reduces the production rate and consequently the cumulative production rate but in the SDFM model the reservoir takes more time to achieve depletion than the DPDP model. The normal fracture factor which appears in the transfer term of the DPDP model is adjusted against

  7. Kinematic Analysis of Continuum Robot Consisted of Driven Flexible Rods

    Directory of Open Access Journals (Sweden)

    Yingzhong Tian

    2016-01-01

    Full Text Available This paper presents the kinematic analysis of a continuum bionic robot with three flexible actuation rods. Since the motion of the end-effector is actuated by the deformation of the rods, the robot structure is with high elasticity and good compliance and the kinematic analysis of the robot requires special treatment. We propose a kinematic model based on the geometry with constant curvature. The analysis consists of two independent mappings: a general mapping for the kinematics of all robots and a specific mapping for this kind of robots. Both of those mappings are developed for the single section and for the multisections. We aim at providing a guide for kinematic analysis of the similar manipulators through this paper.

  8. Variational principles of continuum mechanics. Vol. 1. Fundamentals

    Energy Technology Data Exchange (ETDEWEB)

    Berdichevsky, Victor L. [Wayne State Univ., Detroit, MI (United States). Dept. of Mechanical Engineering

    2009-07-01

    The book reviews the two features of the variational approach: its use as a universal tool to describe physical phenomena and as a source for qualitative and quantitative methods of studying particular problems. Berdichevsky's work differs from other books on the subject in focusing mostly on the physical origin of variational principles as well as establishing their interrelations. For example, the Gibbs principles appear as a consequence of the Einstein formula for thermodynamic fluctuations rather than as the first principles of the theory of thermodynamic equilibrium. Mathematical issues are considered as long as they shed light on the physical outcomes and/or provide a useful technique for the direct study of variational problems. In addition, a thorough account of variational principles discovered in various branches of continuum mechanics is given. In this book, the first volume, the author covers the variational principles for systems with a finite number of degrees of freedom; the variational principles of thermodynamics; the basics of continuum mechanics; the variational principles for classical models of continuum mechanics, such as elastic and plastic bodies, and ideal and viscous fluids; and direct methods of calculus of variations. (orig.)

  9. The influence of thermodynamic self-consistency on the phase behaviour of symmetric binary mixtures

    CERN Document Server

    Scholl-Paschinger, E; Kahl, G

    2004-01-01

    We have investigated the phase behaviour of a symmetric binary mixture with particles interacting via hard-core Yukawa potentials. To calculate the thermodynamic properties we have used the mean spherical approximation (MSA), a conventional liquid state theory, and the closely related self-consistent Ornstein-Zernike approximation which is defined via an MSA-type closure relation, requiring, in addition, thermodynamic self-consistency between the compressibility and the energy-route. We investigate on a quantitative level the effect of the self-consistency requirement on the phase diagram and on the critical behaviour and confirm the existence of three archetypes of phase diagram, which originate from the competition between the first order liquid/vapour transition and the second order demixing transition.

  10. Thermodynamics and structure of liquid metals from a consistent optimized random phase approximation

    International Nuclear Information System (INIS)

    Akinlade, O.; Badirkhan, Z.; Pastore, G.

    2000-05-01

    We study thermodynamics and structural properties of several liquid metals to assess the validity of the generalized non-local model potential (GNMP) of Li et. al. [J.Phys. F16,309 (1986)]. By using a new thermodynamically consistent version of the optimized random phase approximation (ORPA), especially adapted to continuous reference potentials, we improve our previous results obtained within the variational approach based on the Gibbs - Bogoliubov inequality. Hinging on the unified and very accurate evaluation of structure factors and thermodynamic quantities provided by the ORPA, we find that the GNMP yields satisfactory results for the alkali metals, however, those for the polyvalent metals point to a substantial inadequacy of the GNMP for high valence systems. (author)

  11. Thermodynamic Analysis of Chemically Reacting Mixtures-Comparison of First and Second Order Models.

    Science.gov (United States)

    Pekař, Miloslav

    2018-01-01

    Recently, a method based on non-equilibrium continuum thermodynamics which derives thermodynamically consistent reaction rate models together with thermodynamic constraints on their parameters was analyzed using a triangular reaction scheme. The scheme was kinetically of the first order. Here, the analysis is further developed for several first and second order schemes to gain a deeper insight into the thermodynamic consistency of rate equations and relationships between chemical thermodynamic and kinetics. It is shown that the thermodynamic constraints on the so-called proper rate coefficient are usually simple sign restrictions consistent with the supposed reaction directions. Constraints on the so-called coupling rate coefficients are more complex and weaker. This means more freedom in kinetic coupling between reaction steps in a scheme, i.e., in the kinetic effects of other reactions on the rate of some reaction in a reacting system. When compared with traditional mass-action rate equations, the method allows a reduction in the number of traditional rate constants to be evaluated from data, i.e., a reduction in the dimensionality of the parameter estimation problem. This is due to identifying relationships between mass-action rate constants (relationships which also include thermodynamic equilibrium constants) which have so far been unknown.

  12. Thermodynamic properties of xanthone: Heat capacities, phase-transition properties, and thermodynamic-consistency analyses using computational results

    International Nuclear Information System (INIS)

    Chirico, Robert D.; Kazakov, Andrei F.

    2015-01-01

    Highlights: • Heat capacities were measured for the temperature range (5 to 520) K. • The enthalpy of combustion was measured and the enthalpy of formation was derived. • Thermodynamic-consistency analysis resolved inconsistencies in literature enthalpies of sublimation. • An inconsistency in literature enthalpies of combustion was resolved. • Application of computational chemistry in consistency analysis was demonstrated successfully. - Abstract: Heat capacities and phase-transition properties for xanthone (IUPAC name 9H-xanthen-9-one and Chemical Abstracts registry number [90-47-1]) are reported for the temperature range 5 < T/K < 524. Statistical calculations were performed and thermodynamic properties for the ideal gas were derived based on molecular geometry optimization and vibrational frequencies calculated at the B3LYP/6-31+G(d,p) level of theory. These results are combined with sublimation pressures from the literature to allow critical evaluation of inconsistent enthalpies of sublimation for xanthone, also reported in the literature. Literature values for the enthalpy of combustion of xanthone are re-assessed, a revision is recommended for one result, and a new value for the enthalpy of formation of the ideal gas is derived. Comparisons with thermophysical properties reported in the literature are made for all other reported and derived properties, where possible

  13. Self-consistent description of dipole states taking into account the one-particle continuum

    International Nuclear Information System (INIS)

    Gareev, F.A.; Ershov, S.N.; Pyatov, N.I.; Fayans, S.A.; Salamov, D.I.

    1981-01-01

    A self-consistent translationally invariant model with separable effective interactions is used to describe the dipole excitations of spherical nuclei. The equations for the effective field are solved in the coordinate representation, taking the one-particle continuum into account exactly. This makes it possible to obtain the escape widths of excitations with energy above the nucleon-emission threshold. We calculate the energies, B(E1), strength functions, escape widths, and transition densities of the dipole states for a number of light and heavy nuclei

  14. Relativistic continuum physics for the description of heavy ion collisions

    International Nuclear Information System (INIS)

    Lukacs, Bela

    1986-01-01

    The application of relativistic continuum physics to the description of the nuclear fireball evolution from the start of expansion to the breaking is discussed. The basic formalism and basic assumptions of relativistic hydrodynamics and thermodynamics are analyzed in detail. The four basic assumptions are not valid in the case of nuclear fireball produced in heavy ion collisions, but thermodynamics can be extended in different ways to incorporate anisotropy, fluctuations, gradients and the lack of the local equilibrium. The extended continuum formalism is applicable to the description of the nuclear fireball dynamics, including the nuclear - quark matter phase transition. (D.Gy.)

  15. A consistent thermodynamic database for cement minerals

    International Nuclear Information System (INIS)

    Blanc, P.; Claret, F.; Burnol, A.; Marty, N.; Gaboreau, S.; Tournassat, C.; Gaucher, E.C.; Giffault, E.; Bourbon, X.

    2010-01-01

    Document available in extended abstract form only. In the context of waste confinement and, more specifically, waste from the nuclear industry, concrete is used both as a confinement and as a building material. The exposure to high temperatures makes its geochemical behaviour difficult to predict over large periods of time. The present work aims to elucidate the temperature dependency of the thermodynamic functions related to minerals from the concrete or associated with some of its degradation products. To address precisely these functions is a key issue in order to investigate correctly the cement/clay interaction, from a geochemical point of view. A large set of experimental data has been collected, for the chemical systems CaO-SiO 2 -H 2 O, SO 3 -Al 2 O 3 - CaO-CO 2 -Cl-H 2 O and SiO 2 -Al 2 O 3 -CaO-H 2 O, including iron and magnesium bearing phases. Data include calorimetric measurements when available and results from equilibration experiments. The stability of C-S-H phases was considered as a specific issue, those phases may appear both as amorphous or crystalline minerals. In addition, the composition of amorphous minerals is still under debate. The phase diagram of crystalline phases was refined, providing the thermodynamic function of most of the main minerals. Then, we were able to build up a polyhedral model from the refined properties. The composition and the equilibrium constants of amorphous C-S-H, at room temperature, were derived from a large a set of equilibration data. Finally, the thermodynamic functions were completed by using the polyhedral model, both for amorphous and crystalline phases, in some cases. A verification test, based on reaction enthalpies derived from experimental data, indicates that predicted values for amorphous C-S-H are in close agreement with experimental data. For phases other than C-S-H, we have proceeded for each mineral the following way: - the equilibrium constant at 25 deg. C is selected from a single experimental

  16. Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium.

    Science.gov (United States)

    Horowitz, Jordan M

    2015-07-28

    The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

  17. Thermodynamically self-consistent theory for the Blume-Capel model.

    Science.gov (United States)

    Grollau, S; Kierlik, E; Rosinberg, M L; Tarjus, G

    2001-04-01

    We use a self-consistent Ornstein-Zernike approximation to study the Blume-Capel ferromagnet on three-dimensional lattices. The correlation functions and the thermodynamics are obtained from the solution of two coupled partial differential equations. The theory provides a comprehensive and accurate description of the phase diagram in all regions, including the wing boundaries in a nonzero magnetic field. In particular, the coordinates of the tricritical point are in very good agreement with the best estimates from simulation or series expansion. Numerical and analytical analysis strongly suggest that the theory predicts a universal Ising-like critical behavior along the lambda line and the wing critical lines, and a tricritical behavior governed by mean-field exponents.

  18. Finite size effects in the thermodynamics of a free neutral scalar field

    Science.gov (United States)

    Parvan, A. S.

    2018-04-01

    The exact analytical lattice results for the partition function of the free neutral scalar field in one spatial dimension in both the configuration and the momentum space were obtained in the framework of the path integral method. The symmetric square matrices of the bilinear forms on the vector space of fields in both configuration space and momentum space were found explicitly. The exact lattice results for the partition function were generalized to the three-dimensional spatial momentum space and the main thermodynamic quantities were derived both on the lattice and in the continuum limit. The thermodynamic properties and the finite volume corrections to the thermodynamic quantities of the free real scalar field were studied. We found that on the finite lattice the exact lattice results for the free massive neutral scalar field agree with the continuum limit only in the region of small values of temperature and volume. However, at these temperatures and volumes the continuum physical quantities for both massive and massless scalar field deviate essentially from their thermodynamic limit values and recover them only at high temperatures or/and large volumes in the thermodynamic limit.

  19. Numerical Simulation of Transitional, Hypersonic Flows using a Hybrid Particle-Continuum Method

    Science.gov (United States)

    Verhoff, Ashley Marie

    Analysis of hypersonic flows requires consideration of multiscale phenomena due to the range of flight regimes encountered, from rarefied conditions in the upper atmosphere to fully continuum flow at low altitudes. At transitional Knudsen numbers there are likely to be localized regions of strong thermodynamic nonequilibrium effects that invalidate the continuum assumptions of the Navier-Stokes equations. Accurate simulation of these regions, which include shock waves, boundary and shear layers, and low-density wakes, requires a kinetic theory-based approach where no prior assumptions are made regarding the molecular distribution function. Because of the nature of these types of flows, there is much to be gained in terms of both numerical efficiency and physical accuracy by developing hybrid particle-continuum simulation approaches. The focus of the present research effort is the continued development of the Modular Particle-Continuum (MPC) method, where the Navier-Stokes equations are solved numerically using computational fluid dynamics (CFD) techniques in regions of the flow field where continuum assumptions are valid, and the direct simulation Monte Carlo (DSMC) method is used where strong thermodynamic nonequilibrium effects are present. Numerical solutions of transitional, hypersonic flows are thus obtained with increased physical accuracy relative to CFD alone, and improved numerical efficiency is achieved in comparison to DSMC alone because this more computationally expensive method is restricted to those regions of the flow field where it is necessary to maintain physical accuracy. In this dissertation, a comprehensive assessment of the physical accuracy of the MPC method is performed, leading to the implementation of a non-vacuum supersonic outflow boundary condition in particle domains, and more consistent initialization of DSMC simulator particles along hybrid interfaces. The relative errors between MPC and full DSMC results are greatly reduced as a

  20. Use of the SSF equations in the Kojima-Moon-Ochi thermodynamic consistency test of isothermal vapour-liquid equilibrium data

    Directory of Open Access Journals (Sweden)

    SLOBODAN P. SERBANOVIC

    2000-12-01

    Full Text Available The Kojima-Moon-Ochi (KMO thermodynamic consistency test of vapour–liquid equilibrium (VLE measurements for 32 isothermal data sets of binary systems of various complexity was applied using two fitting equations: the Redlich-Kister equation and the Sum of Symmetrical Functions. It was shown that the enhanced reliability of the fitting of the experimental data can change the conclusions drawn on their thermodynamic consistency in those cases of VLE data sets that are estimated to be near the border of consistency.

  1. Comment on the internal consistency of thermodynamic databases supporting repository safety assessments

    International Nuclear Information System (INIS)

    Arthur, R.C.

    2001-11-01

    This report addresses the concept of internal consistency and its relevance to the reliability of thermodynamic databases used in repository safety assessments. In addition to being internally consistent, a reliable database should be accurate over a range of relevant temperatures and pressures, complete in the sense that all important aqueous species, gases and solid phases are represented, and traceable to original experimental results. No single definition of internal consistency need to be universally accepted as the most appropriate under all conditions, however. As a result, two databases that are each internally consistent may be inconsistent with respect to each other, and a database derived from two or more such databases must itself be internally inconsistent. The consequences of alternative definitions that are reasonably attributable to the concept of internal consistency can be illustrated with reference to the thermodynamic database supporting SKB's recent SR 97 safety assessment. This database is internally inconsistent because it includes equilibrium constants calculated over a range of temperatures: using conflicting reference values for some solids, gases and aqueous species that are common to two internally consistent databases (the OECD/NEA database for radioelements and SUPCRT databases for non-radioactive elements) that serve as source databases for the SR 97 TDB, using different definitions in these source databases of standard states for condensed phases and aqueous species, based on different mathematical expressions used in these source databases representing the temperature dependence of the heat capacity, and based on different chemical models adopted in these source databases for the aqueous phase. The importance of such inconsistencies must be considered in relation to the other database reliability criteria noted above, however. Thus, accepting a certain level of internal inconsistency in a database it is probably preferable to use a

  2. Comment on the internal consistency of thermodynamic databases supporting repository safety assessments

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, R.C. [Monitor Scientific, LLC, Denver, CO (United States)

    2001-11-01

    This report addresses the concept of internal consistency and its relevance to the reliability of thermodynamic databases used in repository safety assessments. In addition to being internally consistent, a reliable database should be accurate over a range of relevant temperatures and pressures, complete in the sense that all important aqueous species, gases and solid phases are represented, and traceable to original experimental results. No single definition of internal consistency need to be universally accepted as the most appropriate under all conditions, however. As a result, two databases that are each internally consistent may be inconsistent with respect to each other, and a database derived from two or more such databases must itself be internally inconsistent. The consequences of alternative definitions that are reasonably attributable to the concept of internal consistency can be illustrated with reference to the thermodynamic database supporting SKB's recent SR 97 safety assessment. This database is internally inconsistent because it includes equilibrium constants calculated over a range of temperatures: using conflicting reference values for some solids, gases and aqueous species that are common to two internally consistent databases (the OECD/NEA database for radioelements and SUPCRT databases for non-radioactive elements) that serve as source databases for the SR 97 TDB, using different definitions in these source databases of standard states for condensed phases and aqueous species, based on different mathematical expressions used in these source databases representing the temperature dependence of the heat capacity, and based on different chemical models adopted in these source databases for the aqueous phase. The importance of such inconsistencies must be considered in relation to the other database reliability criteria noted above, however. Thus, accepting a certain level of internal inconsistency in a database it is probably preferable to

  3. A thermodynamically-consistent theory of the ferro/paramagnetic transition

    Czech Academy of Sciences Publication Activity Database

    Podio-Guidugli, P.; Roubíček, Tomáš; Tomassetti, G.

    2010-01-01

    Roč. 198, č. 3 (2010), s. 1057-1094 ISSN 0003-9527 Institutional research plan: CEZ:AV0Z20760514 Keywords : phase transitions * thermodynamics of continua * landau-lifshitz/gilbert equation Subject RIV: BJ - Thermodynamics Impact factor: 2.277, year: 2010 http://www.springerlink.com/content/u705l057177m6526/

  4. General approach to the testing of binary solubility systems for thermodynamic consistency. Consolidated Fuel Reprocessing Program

    International Nuclear Information System (INIS)

    Hamm, L.L.; Van Brunt, V.

    1982-08-01

    A comparison of implicit Runge-Kutta and orthogonal collocation methods is made for the numerical solution to the ordinary differential equation which describes the high-pressure vapor-liquid equilibria of a binary system. The systems of interest are limited to binary solubility systems where one of the components is supercritical and exists as a noncondensable gas in the pure state. Of the two methods - implicit Runge-Kuta and orthogonal collocation - this paper attempts to present some preliminary but not necessarily conclusive results that the implicit Runge-Kutta method is superior for the solution to the ordinary differential equation utilized in the thermodynamic consistency testing of binary solubility systems. Due to the extreme nonlinearity of thermodynamic properties in the region near the critical locus, an extended cubic spline fitting technique is devised for correlating the P-x data. The least-squares criterion is employed in smoothing the experimental data. Even though the derivation is presented specifically for the correlation of P-x data, the technique could easily be applied to any thermodynamic data by changing the endpoint requirements. The volumetric behavior of the systems must be given or predicted in order to perform thermodynamic consistency tests. A general procedure is developed for predicting the volumetric behavior required and some indication as to the expected limit of accuracy is given

  5. On the forces and fluxes in non-equilibrium thermodynamics

    International Nuclear Information System (INIS)

    Kitahara, Kazuo

    1986-01-01

    A formulation of non-equilibrium thermodynamics of continuum systems based on local equilibrium assumption is reported. Thermodynamic forces are defined from a generalized local entropy and irreversible fluxes are defined as non-advective parts of fluxes of conservative quantities. The validity of the general evolution criterion and its generalization is discussed. (author)

  6. THERMODYNAMIC DEPRESSION OF IONIZATION POTENTIALS IN NONIDEAL PLASMAS: GENERALIZED SELF-CONSISTENCY CRITERION AND A BACKWARD SCHEME FOR DERIVING THE EXCESS FREE ENERGY

    International Nuclear Information System (INIS)

    Zaghloul, Mofreh R.

    2009-01-01

    Accurate and consistent prediction of thermodynamic properties is of great importance in high-energy density physics and in modeling stellar atmospheres and interiors as well. Modern descriptions of thermodynamic properties of such nonideal plasma systems are sophisticated and/or full of pitfalls that make it difficult, if not impossible, to reproduce. The use of the Saha equation modified at high densities by incorporating simple expressions for depression of ionization potentials is very convenient in that context. However, as it is commonly known, the incorporation of ad hoc or empirical expressions for the depression of ionization potentials in the Saha equation leads to thermodynamic inconsistencies. The problem of thermodynamic consistency of ionization potentials depression in nonideal plasmas is investigated and a criterion is derived, which shows immediately, whether a particular model for the ionization potential depression is self-consistent, that is, whether it can be directly related to a modification of the free-energy function, or not. A backward scheme is introduced which can be utilized to derive nonideality corrections to the free-energy function from formulas of ionization potentials depression derived from plasma microfields or in ad hoc or empirical fashion provided that the aforementioned self-consistency criterion is satisfied. The value and usefulness of such a backward method are pointed out and discussed. The above-mentioned criterion is applied to investigate the thermodynamic consistency of some historic models in the literature and an optional routine is introduced to recover their thermodynamic consistencies while maintaining the same functional dependence on the species densities as in the original models. Sample computational problems showing the effect of the proposed modifications on the computed plasma composition are worked out and presented.

  7. Self-consistent description of isobaric 0+ states taking the one-particle continuum into account exactly

    International Nuclear Information System (INIS)

    Pyatov, N.I.; Salamov, D.I.; Fayans, S.A.

    1981-01-01

    The properties of discrete and resonance isobaric 0 + states of nuclei are studied within the framework of a self-consistent approach. The equations for the charge-exchange effective field are solved in the coordinate representation taking the one-particle continuum into account exactly. Microscopic estimates of the analog-state energies and the matrix elements, transition densities, and strength functions of the isospin-allowed and forbidden Fermi transitions are obtained together with the values of the isospin admixtures in the ground states of the parent nuclei and their analogs. The escape widths of the isobaric resonances are also discussed

  8. A self-consistent model for thermodynamics of multicomponent solid solutions

    Czech Academy of Sciences Publication Activity Database

    Svoboda, Jiří; Fischer, F. D.

    2016-01-01

    Roč. 123, OCT (2016), s. 154-157 ISSN 1359-6462 R&D Projects: GA ČR(CZ) GA15-06390S Institutional support: RVO:68081723 Keywords : Thermodynamics * Bonding * Analytical methods Subject RIV: BJ - Thermodynamics Impact factor: 3.747, year: 2016

  9. A thermodynamically consistent model for granular-fluid mixtures considering pore pressure evolution and hypoplastic behavior

    Science.gov (United States)

    Hess, Julian; Wang, Yongqi

    2016-11-01

    A new mixture model for granular-fluid flows, which is thermodynamically consistent with the entropy principle, is presented. The extra pore pressure described by a pressure diffusion equation and the hypoplastic material behavior obeying a transport equation are taken into account. The model is applied to granular-fluid flows, using a closing assumption in conjunction with the dynamic fluid pressure to describe the pressure-like residual unknowns, hereby overcoming previous uncertainties in the modeling process. Besides the thermodynamically consistent modeling, numerical simulations are carried out and demonstrate physically reasonable results, including simple shear flow in order to investigate the vertical distribution of the physical quantities, and a mixture flow down an inclined plane by means of the depth-integrated model. Results presented give insight in the ability of the deduced model to capture the key characteristics of granular-fluid flows. We acknowledge the support of the Deutsche Forschungsgemeinschaft (DFG) for this work within the Project Number WA 2610/3-1.

  10. An Overview of a Continuum Mechanic Approach to a Thermodynamic Model of Failure

    National Research Council Canada - National Science Library

    Palazotto, A

    1998-01-01

    .... An overview of the thermodynamic definitions, concepts, and principles will be presented. This overview of the thermodynamics is necessary to provided the background needed to understand the damage model, which is based on thermodynamic principles...

  11. A Thermodynamically-Consistent Non-Ideal Stochastic Hard-Sphere Fluid

    Energy Technology Data Exchange (ETDEWEB)

    Donev, A; Alder, B J; Garcia, A L

    2009-08-03

    A grid-free variant of the Direct Simulation Monte Carlo (DSMC) method is proposed, named the Isotropic DSMC (I-DSMC) method, that is suitable for simulating collision-dominated dense fluid flows. The I-DSMC algorithm eliminates all grid artifacts from the traditional DSMC algorithm and is Galilean invariant and microscopically isotropic. The stochastic collision rules in I-DSMC are modified to introduce a non-ideal structure factor that gives consistent compressibility, as first proposed in [Phys. Rev. Lett. 101:075902 (2008)]. The resulting Stochastic Hard Sphere Dynamics (SHSD) fluid is empirically shown to be thermodynamically identical to a deterministic Hamiltonian system of penetrable spheres interacting with a linear core pair potential, well-described by the hypernetted chain (HNC) approximation. We develop a kinetic theory for the SHSD fluid to obtain estimates for the transport coefficients that are in excellent agreement with particle simulations over a wide range of densities and collision rates. The fluctuating hydrodynamic behavior of the SHSD fluid is verified by comparing its dynamic structure factor against theory based on the Landau-Lifshitz Navier-Stokes equations. We also study the Brownian motion of a nano-particle suspended in an SHSD fluid and find a long-time power-law tail in its velocity autocorrelation function consistent with hydrodynamic theory and molecular dynamics calculations.

  12. New perspectives in thermodynamics

    International Nuclear Information System (INIS)

    Serrin, J.

    1986-01-01

    The last decade has seen a unity of method and approach in the foundations of thermodynamics and continuum mechanics, in which rigorous laws of thermodynamics have been combined with invariance notions of mechanics to produce new and deep understanding. Real progress has been made in finding a set of appropriate concepts for classical thermodynamics, by which energy conservation and the Clausius inequality can be given well-defined meanings for arbitrary processes and which allow an approach to the entropy concept which is free of traditional ambiguities. There has been, moreover, a careful scrutiny of long established but nevertheless not sharply defined concepts such as the Maxwell equal-area rule, the famous Gibbs phase rule, and the equivalence of work and heat. The thirteen papers in this volume accordingly gather together for the first time the many ideas and concepts which have raised classical thermodynamics from a heuristic and intuitive science to the level of precision presently demanded of other branches of mathematical physics

  13. Dissipation, generalized free energy, and a self-consistent nonequilibrium thermodynamics of chemically driven open subsystems.

    Science.gov (United States)

    Ge, Hao; Qian, Hong

    2013-06-01

    Nonequilibrium thermodynamics of a system situated in a sustained environment with influx and efflux is usually treated as a subsystem in a larger, closed "universe." A question remains with regard to what the minimally required description for the surrounding of such an open driven system is so that its nonequilibrium thermodynamics can be established solely based on the internal stochastic kinetics. We provide a solution to this problem using insights from studies of molecular motors in a chemical nonequilibrium steady state (NESS) with sustained external drive through a regenerating system or in a quasisteady state (QSS) with an excess amount of adenosine triphosphate (ATP), adenosine diphosphate (ADP), and inorganic phosphate (Pi). We introduce the key notion of minimal work that is needed, W(min), for the external regenerating system to sustain a NESS (e.g., maintaining constant concentrations of ATP, ADP and Pi for a molecular motor). Using a Markov (master-equation) description of a motor protein, we illustrate that the NESS and QSS have identical kinetics as well as the second law in terms of the same positive entropy production rate. The heat dissipation of a NESS without mechanical output is exactly the W(min). This provides a justification for introducing an ideal external regenerating system and yields a free-energy balance equation between the net free-energy input F(in) and total dissipation F(dis) in an NESS: F(in) consists of chemical input minus mechanical output; F(dis) consists of dissipative heat, i.e. the amount of useful energy becoming heat, which also equals the NESS entropy production. Furthermore, we show that for nonstationary systems, the F(dis) and F(in) correspond to the entropy production rate and housekeeping heat in stochastic thermodynamics and identify a relative entropy H as a generalized free energy. We reach a new formulation of Markovian nonequilibrium thermodynamics based on only the internal kinetic equation without further

  14. A consistent set of thermodynamic constants for americium (III) species with hydroxyl and carbonate

    International Nuclear Information System (INIS)

    Kerrisk, J.F.; Silva, R.J.

    1986-01-01

    A consistent set of thermodynamic constants for aqueous species, and compounds of Am(III) with hydroxyl and carbonate ligands has been developed. The procedure used to develop these constants involved establishing a value for one formation constant at a time in a sequential order, starting with the hydrolysis products and hydroxide solids, and then proceeding to carbonate species. The EQ3NR chemical-equilibrium model was used to test the constants developed. These constants are consistent with most of the experimental data that form their basis; however, considerable uncertainty still exists in some aspects of the Am(III) data

  15. Grasping the Second Law of Thermodynamics at University: The Consistency of Macroscopic and Microscopic Explanations

    Science.gov (United States)

    Leinonen, Risto; Asikainen, Mervi A.; Hirvonen, Pekka E.

    2015-01-01

    This study concentrates on evaluating the consistency of upper-division students' use of the second law of thermodynamics at macroscopic and microscopic levels. Data were collected by means of a paper and pencil test (N = 48) focusing on the macroscopic and microscopic features of the second law concerned with heat transfer processes. The data…

  16. A general framework for thermodynamically consistent parameterization and efficient sampling of enzymatic reactions.

    Directory of Open Access Journals (Sweden)

    Pedro Saa

    2015-04-01

    Full Text Available Kinetic models provide the means to understand and predict the dynamic behaviour of enzymes upon different perturbations. Despite their obvious advantages, classical parameterizations require large amounts of data to fit their parameters. Particularly, enzymes displaying complex reaction and regulatory (allosteric mechanisms require a great number of parameters and are therefore often represented by approximate formulae, thereby facilitating the fitting but ignoring many real kinetic behaviours. Here, we show that full exploration of the plausible kinetic space for any enzyme can be achieved using sampling strategies provided a thermodynamically feasible parameterization is used. To this end, we developed a General Reaction Assembly and Sampling Platform (GRASP capable of consistently parameterizing and sampling accurate kinetic models using minimal reference data. The former integrates the generalized MWC model and the elementary reaction formalism. By formulating the appropriate thermodynamic constraints, our framework enables parameterization of any oligomeric enzyme kinetics without sacrificing complexity or using simplifying assumptions. This thermodynamically safe parameterization relies on the definition of a reference state upon which feasible parameter sets can be efficiently sampled. Uniform sampling of the kinetics space enabled dissecting enzyme catalysis and revealing the impact of thermodynamics on reaction kinetics. Our analysis distinguished three reaction elasticity regions for common biochemical reactions: a steep linear region (0> ΔGr >-2 kJ/mol, a transition region (-2> ΔGr >-20 kJ/mol and a constant elasticity region (ΔGr <-20 kJ/mol. We also applied this framework to model more complex kinetic behaviours such as the monomeric cooperativity of the mammalian glucokinase and the ultrasensitive response of the phosphoenolpyruvate carboxylase of Escherichia coli. In both cases, our approach described appropriately not only

  17. Improved thermodynamics of SU(2) gauge theory

    Energy Technology Data Exchange (ETDEWEB)

    Giudice, Pietro [University of Muenster, Institute for Theoretical Physics, Muenster (Germany); Piemonte, Stefano [University of Regensburg, Institute for Theoretical Physics, Regensburg (Germany)

    2017-12-15

    In this work we present the results of our investigation of the thermodynamics of SU(2) gauge theory. We employ a Symanzik improved action to reduce strongly the discretisations effects, and we use the scaling relations to take into account the finite volume effects close to the critical temperature. We determine the β-function for this particular theory and we use it in the determination of different thermodynamic observables. Finally we compare our results with previous work where only the standard Wilson action was considered. We confirm the relevance of using the improved action to access easily the correct continuum thermodynamics of the theory. (orig.)

  18. Thermodynamic fluctuations and the monopole density of the early Universe

    International Nuclear Information System (INIS)

    Diosi, L.; Lukacs, B.

    1984-10-01

    The probability of thermodynamic fluctuations is calculated by explicitly using the Riemannian structure of the thermodynamic state space. By means of this probability distribution, a correlation volume can be defined. Identifying this volume with one domain in the GUT continuum at the symmetry breaking phase transition in the early Universe, a prediction can be obtained for the primordial monopole density. (author)

  19. Modelling grain growth in the framework of Rational Extended Thermodynamics

    International Nuclear Information System (INIS)

    Kertsch, Lukas; Helm, Dirk

    2016-01-01

    Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena. (paper)

  20. Modelling grain growth in the framework of Rational Extended Thermodynamics

    Science.gov (United States)

    Kertsch, Lukas; Helm, Dirk

    2016-05-01

    Grain growth is a significant phenomenon for the thermomechanical processing of metals. Since the mobility of the grain boundaries is thermally activated and energy stored in the grain boundaries is released during their motion, a mutual interaction with the process conditions occurs. To model such phenomena, a thermodynamic framework for the representation of thermomechanical coupling phenomena in metals including a microstructure description is required. For this purpose, Rational Extended Thermodynamics appears to be a useful tool. We apply an entropy principle to derive a thermodynamically consistent model for grain coarsening due to the growth and shrinkage of individual grains. Despite the rather different approaches applied, we obtain a grain growth model which is similar to existing ones and can be regarded as a thermodynamic extension of that by Hillert (1965) to more general systems. To demonstrate the applicability of the model, we compare our simulation results to grain growth experiments in pure copper by different authors, which we are able to reproduce very accurately. Finally, we study the implications of the energy release due to grain growth on the energy balance. The present unified approach combining a microstructure description and continuum mechanics is ready to be further used to develop more elaborate material models for complex thermo-chemo-mechanical coupling phenomena.

  1. A consistent model for the equilibrium thermodynamic functions of partially ionized flibe plasma with Coulomb corrections

    International Nuclear Information System (INIS)

    Zaghloul, Mofreh R.

    2003-01-01

    Flibe (2LiF-BeF2) is a molten salt that has been chosen as the coolant and breeding material in many design studies of the inertial confinement fusion (ICF) chamber. Flibe plasmas are to be generated in the ICF chamber in a wide range of temperatures and densities. These plasmas are more complex than the plasma of any single chemical species. Nevertheless, the composition and thermodynamic properties of the resulting flibe plasmas are needed for the gas dynamics calculations and the determination of other design parameters in the ICF chamber. In this paper, a simple consistent model for determining the detailed plasma composition and thermodynamic functions of high-temperature, fully dissociated and partially ionized flibe gas is presented and used to calculate different thermodynamic properties of interest to fusion applications. The computed properties include the average ionization state; kinetic pressure; internal energy; specific heats; adiabatic exponent, as well as the sound speed. The presented results are computed under the assumptions of local thermodynamic equilibrium (LTE) and electro-neutrality. A criterion for the validity of the LTE assumption is presented and applied to the computed results. Other attempts in the literature are assessed with their implied inaccuracies pointed out and discussed

  2. Second law of thermodynamics in volume diffusion hydrodynamics in multicomponent gas mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Dadzie, S. Kokou, E-mail: k.dadzie@glyndwr.ac.uk [Department of Engineering and Applied Physics, Glyndŵr University, Mold Road, Wrexham LL11 2AW (United Kingdom)

    2012-10-01

    We presented the thermodynamic structure of a new continuum flow model for multicomponent gas mixtures. The continuum model is based on a volume diffusion concept involving specific species. It is independent of the observer's reference frame and enables a straightforward tracking of a selected species within a mixture composed of a large number of constituents. A method to derive the second law and constitutive equations accompanying the model is presented. Using the configuration of a rotating fluid we illustrated an example of non-classical flow physics predicted by new contributions in the entropy and constitutive equations. -- Highlights: ► A thermodynamic structure is presented for a new continuum flow model in multicomponent gas mixtures. ► A derivation method to obtain constitutive equations is presented. ► A configuration of a rotating gas is used to illustrate the role of new contributions in the structure of the entropy equation.

  3. A general approach to the testing of binary solubility systems for thermodynamic consistency. Consolidated Fuel Reprocessing Program

    Science.gov (United States)

    Hamm, L. L.; Vanbrunt, V.

    1982-08-01

    The numerical solution to the ordinary differential equation which describes the high-pressure vapor-liquid equilibria of a binary system where one of the components is supercritical and exists as a noncondensable gas in the pure state is considered with emphasis on the implicit Runge-Kuta and orthogonal collocation methods. Some preliminary results indicate that the implicit Runge-Kutta method is superior. Due to the extreme nonlinearity of thermodynamic properties in the region near the critical locus, and extended cubic spline fitting technique is devised for correlating the P-x data. The least-squares criterion is employed in smoothing the experimental data. The technique could easily be applied to any thermodynamic data by changing the endpoint requirements. The volumetric behavior of the systems must be given or predicted in order to perform thermodynamic consistency tests. A general procedure is developed for predicting the volumetric behavior required and some indication as to the expected limit of accuracy is given.

  4. Thermodynamical aspects of modeling the mechanical response of granular materials

    International Nuclear Information System (INIS)

    Elata, D.

    1995-01-01

    In many applications in rock physics, the material is treated as a continuum. By supplementing the related conservation laws with constitutive equations such as stress-strain relations, a well-posed problem can be formulated and solved. The stress-strain relations may be based on a combination of experimental data and a phenomenological or micromechanical model. If the model is physically sound and its parameters have a physical meaning, it can serve to predict the stress response of the material to unmeasured deformations, predict the stress response of other materials, and perhaps predict other categories of the mechanical response such as failure, permeability, and conductivity. However, it is essential that the model be consistent with all conservation laws and consistent with the second law of thermodynamics. Specifically, some models of the mechanical response of granular materials proposed in literature, are based on intergranular contact force-displacement laws that violate the second law of thermodynamics by permitting energy generation at no cost. This diminishes the usefulness of these models as it invalidates their predictive capabilities. [This work was performed under the auspices of the U.S. DOE by Lawrence Livermore National Laboratory under Contract No. W-7405-ENG-48.

  5. Thermodynamic consistency test procedure using orthogonal collocation and the Peng-Robinson equation of state

    International Nuclear Information System (INIS)

    Hamm, L.L.; Van Brunt, V.

    1982-08-01

    The Christiansen and Fredenslund programs for calculating vapor-liquid equilibria have been modified by replacing the Soave-Redlich-Kwong equation of state with the newly developed Peng-Robinson equation of state. This modification was shown to be a decided improvement for high pressure systems, especially in the critical and upper retrograde regions. Thermodynamic consistency tests were developed and used to evaluate and compare calculated values from both the modified and unmodified programs with reported experimental data for several vapor-liquid systems

  6. Self-consistency of a heterogeneous continuum porous medium representation of a fractured medium

    International Nuclear Information System (INIS)

    Hoch, A.R.; Jackson, C.P.; Todman, S.

    1998-01-01

    For many of the rocks that are, or have been, under investigation as potential host rocks for a radioactive waste repository, groundwater flow is considered to take place predominantly through discontinuities such as fractures. Although models of networks of discrete features (DFN models) would be the most realistic models for such rocks, calculations on large length scales would not be computationally practicable. A possible approach would be to use heterogeneous continuum porous-medium (CPM) models in which each block has an effective permeability appropriate to represent the network of features within the block. In order to build confidence in this approach, it is necessary to demonstrate that the approach is self-consistent, in the sense that if the effective permeability on a large length scale is derived using the CPM model, the result is close to the value derived directly from the underlying network model. It is also desirable to demonstrate self-consistency for the use of stochastic heterogeneous CPM models that are built as follows. The correlation structure of the effective permeability on the scale of the blocks is inferred by analysis of the effective permeabilities obtained from the underlying DFN model. Then realizations of the effective permeability within the domain of interest are generated on the basis of the correlation structure, rather than being obtained directly from the underlying DFN model. A study of self-consistency is presented for two very different underlying DFN models: one based on the properties of the Borrowdale Volcanic Group at Sellafield, and one based on the properties of the granite at Aespoe in Sweden. It is shown that, in both cases, the use of heterogeneous CPM models based directly on the DFN model is self-consistent, provided that care is taken in the evaluation of the effective permeability for the DFN models. It is also shown that the use of stochastic heterogeneous CPM models based on the correlation structure of the

  7. Non-classical continuum mechanics a dictionary

    CERN Document Server

    Maugin, Gérard A

    2017-01-01

    This dictionary offers clear and reliable explanations of over 100 keywords covering the entire field of non-classical continuum mechanics and generalized mechanics, including the theory of elasticity, heat conduction, thermodynamic and electromagnetic continua, as well as applied mathematics. Every entry includes the historical background and the underlying theory, basic equations and typical applications. The reference list for each entry provides a link to the original articles and the most important in-depth theoretical works. Last but not least, every entry is followed by a cross-reference to other related subject entries in the dictionary.

  8. Statistical thermodynamics

    International Nuclear Information System (INIS)

    Lim, Gyeong Hui

    2008-03-01

    This book consists of 15 chapters, which are basic conception and meaning of statistical thermodynamics, Maxwell-Boltzmann's statistics, ensemble, thermodynamics function and fluctuation, statistical dynamics with independent particle system, ideal molecular system, chemical equilibrium and chemical reaction rate in ideal gas mixture, classical statistical thermodynamics, ideal lattice model, lattice statistics and nonideal lattice model, imperfect gas theory on liquid, theory on solution, statistical thermodynamics of interface, statistical thermodynamics of a high molecule system and quantum statistics

  9. Properties of warm nuclei in the quasi-continuum

    Directory of Open Access Journals (Sweden)

    Voinov A.

    2010-03-01

    Full Text Available Nuclear thermodynamic quantities are extracted from nuclear level densities measured with the CACTUS detector array at the Oslo Cyclotron Laboratory. The experiments are performed with light-particle inelastic or transfer reactions. A simple combinatorial model is used to describe the underlying mechanisms responsible for the exponential increasing level density as function of excitation energy. The calculated number of broken Cooper pairs and the parity distribution in continuum are discussed.

  10. Surface thermodynamics

    International Nuclear Information System (INIS)

    Garcia-Moliner, F.

    1975-01-01

    Basic thermodynamics of a system consisting of two bulk phases with an interface. Solid surfaces: general. Discussion of experimental data on surface tension and related concepts. Adsorption thermodynamics in the Gibbsian scheme. Adsorption on inert solid adsorbents. Systems with electrical charges: chemistry and thermodynamics of imperfect crystals. Thermodynamics of charged surfaces. Simple models of charge transfer chemisorption. Adsorption heat and related concepts. Surface phase transitions

  11. Nanofluidics thermodynamic and transport properties

    CERN Document Server

    Michaelides, Efstathios E (Stathis)

    2014-01-01

    This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...

  12. Thermodynamic tables to accompany Modern engineering thermodynamics

    CERN Document Server

    Balmer, Robert T

    2011-01-01

    This booklet is provided at no extra charge with new copies of Balmer's Modern Engineering Thermodynamics. It contains two appendices. Appendix C contains 40 thermodynamic tables, and Appendix D consists of 6 thermodynamic charts. These charts and tables are provided in a separate booklet to give instructors the flexibility of allowing students to bring the tables into exams. The booklet may be purchased separately if needed.

  13. A thermodynamically consistent quasi-particle model without temperature-dependent infinity of the vacuum zero point energy

    International Nuclear Information System (INIS)

    Cao Jing; Jiang Yu; Sun Weimin; Zong Hongshi

    2012-01-01

    In this Letter, an improved quasi-particle model is presented. Unlike the previous approach of establishing quasi-particle model, we introduce a classical background field (it is allowed to depend on the temperature) to deal with the infinity of thermal vacuum energy which exists in previous quasi-particle models. After taking into account the effect of this classical background field, the partition function of quasi-particle system can be made well-defined. Based on this and following the standard ensemble theory, we construct a thermodynamically consistent quasi-particle model without the need of any reformulation of statistical mechanics or thermodynamical consistency relation. As an application of our model, we employ it to the case of (2+1) flavor QGP at zero chemical potential and finite temperature and obtain a good fit to the recent lattice simulation results of Borsányi et al. A comparison of the result of our model with early calculations using other models is also presented. It is shown that our method is general and can be generalized to the case where the effective mass depends not only on the temperature but also on the chemical potential.

  14. Grasping the second law of thermodynamics at university: The consistency of macroscopic and microscopic explanations

    Directory of Open Access Journals (Sweden)

    Risto Leinonen

    2015-09-01

    Full Text Available [This paper is part of the Focused Collection on Upper Division Physics Courses.] This study concentrates on evaluating the consistency of upper-division students’ use of the second law of thermodynamics at macroscopic and microscopic levels. Data were collected by means of a paper and pencil test (N=48 focusing on the macroscopic and microscopic features of the second law concerned with heat transfer processes. The data analysis was based on a qualitative content analysis where students’ responses to the macroscopic- and microscopic-level items were categorized to provide insight into the consistency of the students’ ideas; if students relied on the same idea at both levels, they ended up in the same category at both levels, and their use of the second law was consistent. The most essential finding is that a majority of students, 52%–69% depending on the physical system under evaluation, used the second law of thermodynamics consistently at macroscopic and microscopic levels; approximately 40% of the students used it correctly in terms of physics while others relied on erroneous ideas, such as the idea of conserving entropy. The most common inconsistency harbored by 10%–15% of the students (depending on the physical system under evaluation was students’ tendency to consider the number of accessible microstates to remain constant even if the entropy was stated to increase in a similar process; other inconsistencies were only seen in the answers of a few students. In order to address the observed inconsistencies, we would suggest that lecturers should utilize tasks that challenge students to evaluate phenomena at macroscopic and microscopic levels concurrently and tasks that would guide students in their search for contradictions in their thinking.

  15. Continuum mechanics of single-substance bodies

    CERN Document Server

    Eringen, A Cemal

    1975-01-01

    Continuum Physics, Volume II: Continuum Mechanics of Single-Substance Bodies discusses the continuum mechanics of bodies constituted by a single substance, providing a thorough and precise presentation of exact theories that have evolved during the past years. This book consists of three parts-basic principles, constitutive equations for simple materials, and methods of solution. Part I of this publication is devoted to a discussion of basic principles irrespective of material geometry and constitution that are valid for all kinds of substances, including composites. The geometrical notions, k

  16. Thermodynamic Model of Spatial Memory

    Science.gov (United States)

    Kaufman, Miron; Allen, P.

    1998-03-01

    We develop and test a thermodynamic model of spatial memory. Our model is an application of statistical thermodynamics to cognitive science. It is related to applications of the statistical mechanics framework in parallel distributed processes research. Our macroscopic model allows us to evaluate an entropy associated with spatial memory tasks. We find that older adults exhibit higher levels of entropy than younger adults. Thurstone's Law of Categorical Judgment, according to which the discriminal processes along the psychological continuum produced by presentations of a single stimulus are normally distributed, is explained by using a Hooke spring model of spatial memory. We have also analyzed a nonlinear modification of the ideal spring model of spatial memory. This work is supported by NIH/NIA grant AG09282-06.

  17. Internally consistent thermodynamic data for aqueous species in the system Na-K-Al-Si-O-H-Cl

    Science.gov (United States)

    Miron, George D.; Wagner, Thomas; Kulik, Dmitrii A.; Heinrich, Christoph A.

    2016-08-01

    A large amount of critically evaluated experimental data on mineral solubility, covering the entire Na-K-Al-Si-O-H-Cl system over wide ranges in temperature and pressure, was used to simultaneously refine the standard state Gibbs energies of aqueous ions and complexes in the framework of the revised Helgeson-Kirkham-Flowers equation of state. The thermodynamic properties of the solubility-controlling minerals were adopted from the internally consistent dataset of Holland and Powell (2002; Thermocalc dataset ds55). The global optimization of Gibbs energies of aqueous species, performed with the GEMSFITS code (Miron et al., 2015), was set up in such a way that the association equilibria for ion pairs and complexes, independently derived from conductance and potentiometric data, are always maintained. This was achieved by introducing reaction constraints into the parameter optimization that adjust Gibbs energies of complexes by their respective Gibbs energy effects of reaction, whenever the Gibbs energies of reactant species (ions) are changed. The optimized thermodynamic dataset is reported with confidence intervals for all parameters evaluated by Monte Carlo trial calculations. The new thermodynamic dataset is shown to reproduce all available fluid-mineral phase equilibria and mineral solubility data with good accuracy and precision over wide ranges in temperature (25-800 °C), pressure (1 bar to 5 kbar) and composition (salt concentrations up to 5 molal). The global data optimization process adopted in this study can be readily repeated any time when extensions to new chemical elements and species are needed, when new experimental data become available, or when a different aqueous activity model or equation of state should be used. This work serves as a proof of concept that our optimization strategy is feasible and successful in generating a thermodynamic dataset reproducing all fluid-mineral and aqueous speciation equilibria in the Na-K-Al-Si-O-H-Cl system within

  18. Nonlocal effects in nonisothermal hydrodynamics from the perspective of beyond-equilibrium thermodynamics

    OpenAIRE

    Hütter, Markus; Brader, Joseph M.

    2009-01-01

    We examine the origins of nonlocality in a nonisothermal hydrodynamic formulation of a one-component fluid of particles that exhibit long-range correlations, e.g., due to a spherically symmetric, long-range interaction potential. In order to furnish the continuum modeling with physical understanding of the microscopic interactions and dynamics, we make use of systematic coarse graining from the microscopic to the continuum level. We thus arrive at a thermodynamically admissible and closed set...

  19. ALMA BAND 8 CONTINUUM EMISSION FROM ORION SOURCE I

    Energy Technology Data Exchange (ETDEWEB)

    Hirota, Tomoya; Matsumoto, Naoko [Mizusawa VLBI Observatory, National Astronomical Observatory of Japan, Osawa 2-21-1, Mitaka-shi, Tokyo 181-8588 (Japan); Machida, Masahiro N.; Matsushita, Yuko [Department of Earth and Planetary Sciences, Faculty of Sciences, Kyushu University, Motooka 744, Nishi-ku, Fukuoka-shi, Fukuoka 819-0395 (Japan); Motogi, Kazuhito; Honma, Mareki [Mizusawa VLBI Observatory, National Astronomical Observatory of Japan, Hoshigaoka2-12, Mizusawa-ku, Oshu-shi, Iwate 023-0861 (Japan); Kim, Mi Kyoung [Korea Astronomy and Space Science Institute, Hwaam-dong 61-1, Yuseong-gu, Daejeon, 305-348 (Korea, Republic of); Burns, Ross A., E-mail: tomoya.hirota@nao.ac.jp [Joint Institute for VLBI in Europe, Postbus 2, 7990 AA, Dwingeloo (Netherlands)

    2016-12-20

    We have measured continuum flux densities of a high-mass protostar candidate, a radio source I in the Orion KL region (Orion Source I) using the Atacama Large Millimeter/Submillimeter Array (ALMA) at band 8 with an angular resolution of 0.″1. The continuum emission at 430, 460, and 490 GHz associated with Source I shows an elongated structure along the northwest–southeast direction perpendicular to the so-called low-velocity bipolar outflow. The deconvolved size of the continuum source, 90 au × 20 au, is consistent with those reported previously at other millimeter/submillimeter wavelengths. The flux density can be well fitted to the optically thick blackbody spectral energy distribution, and the brightness temperature is evaluated to be 700–800 K. It is much lower than that in the case of proton–electron or H{sup −} free–free radiations. Our data are consistent with the latest ALMA results by Plambeck and Wright, in which the continuum emission was proposed to arise from the edge-on circumstellar disk via thermal dust emission, unless the continuum source consists of an unresolved structure with a smaller beam filling factor.

  20. A thermodynamically consistent constitutive theory for a rigid solid-stokesian fluid mixture

    International Nuclear Information System (INIS)

    Mattos, H.C.; Costa, M.L.M.; Sampaio, R.; Gama, R.M.S. da.

    1992-01-01

    This work is concerned with the modelling for the flow of a stokesian fluid through a rigid porous medium, using a Theory of Mixtures viewpoint. A systematic procedure to obtain constitutive relations that verify automatically the principle of objectivity and a local version of the second law of Thermodynamics is proposed. The prescription of two thermodynamic potentials for each constituent is sufficient to define a complete set of constitutive relations. (author)

  1. A thermodynamic framework for the study of crystallization in polymers

    Science.gov (United States)

    Rao, I. J.; Rajagopal, K. R.

    In this paper, we present a new thermodynamic framework within the context of continuum mechanics, to predict the behavior of crystallizing polymers. The constitutive models that are developed within this thermodynamic setting are able to describe the main features of the crystallization process. The model is capable of capturing the transition from a fluid like behavior to a solid like behavior in a rational manner without appealing to any adhoc transition criterion. The anisotropy of the crystalline phase is built into the model and the specific anisotropy of the crystalline phase depends on the deformation in the melt. These features are incorporated into a recent framework that associates different natural configurations and material symmetries with distinct microstructural features within the body that arise during the process under consideration. Specific models are generated by choosing particular forms for the internal energy, entropy and the rate of dissipation. Equations governing the evolution of the natural configurations and the rate of crystallization are obtained by maximizing the rate of dissipation, subject to appropriate constraints. The initiation criterion, marking the onset of crystallization, arises naturally in this setting in terms of the thermodynamic functions. The model generated within such a framework is used to simulate bi-axial extension of a polymer film that is undergoing crystallization. The predictions of the theory that has been proposed are consistent with the experimental results (see [28] and [7]).

  2. Development of probabilistic fatigue curve for asphalt concrete based on viscoelastic continuum damage mechanics

    Directory of Open Access Journals (Sweden)

    Himanshu Sharma

    2016-07-01

    Full Text Available Due to its roots in fundamental thermodynamic framework, continuum damage approach is popular for modeling asphalt concrete behavior. Currently used continuum damage models use mixture averaged values for model parameters and assume deterministic damage process. On the other hand, significant scatter is found in fatigue data generated even under extremely controlled laboratory testing conditions. Thus, currently used continuum damage models fail to account the scatter observed in fatigue data. This paper illustrates a novel approach for probabilistic fatigue life prediction based on viscoelastic continuum damage approach. Several specimens were tested for their viscoelastic properties and damage properties under uniaxial mode of loading. The data thus generated were analyzed using viscoelastic continuum damage mechanics principles to predict fatigue life. Weibull (2 parameter, 3 parameter and lognormal distributions were fit to fatigue life predicted using viscoelastic continuum damage approach. It was observed that fatigue damage could be best-described using Weibull distribution when compared to lognormal distribution. Due to its flexibility, 3-parameter Weibull distribution was found to fit better than 2-parameter Weibull distribution. Further, significant differences were found between probabilistic fatigue curves developed in this research and traditional deterministic fatigue curve. The proposed methodology combines advantages of continuum damage mechanics as well as probabilistic approaches. These probabilistic fatigue curves can be conveniently used for reliability based pavement design. Keywords: Probabilistic fatigue curve, Continuum damage mechanics, Weibull distribution, Lognormal distribution

  3. Thermodynamics for scientists and engineers

    International Nuclear Information System (INIS)

    Lim, Gyeong Hui

    2011-02-01

    This book deals with thermodynamics for scientists and engineers. It consists of 11 chapters, which are concept and background of thermodynamics, the first law of thermodynamics, the second law of thermodynamics and entropy, mathematics related thermodynamics, properties of thermodynamics on pure material, equilibrium, stability of thermodynamics, the basic of compound, phase equilibrium of compound, excess gibbs energy model of compound and activity coefficient model and chemical equilibrium. It has four appendixes on properties of pure materials and thermal mass.

  4. A 3D Orthotropic Elastic Continuum Damage Material Model

    Energy Technology Data Exchange (ETDEWEB)

    English, Shawn Allen [Sandia National Lab. (SNL-CA), Livermore, CA (United States); Brown, Arthur A. [Sandia National Lab. (SNL-CA), Livermore, CA (United States)

    2013-08-01

    A three dimensional orthotropic elastic constitutive model with continuum damage is implemented for polymer matrix composite lamina. Damage evolves based on a quadratic homogeneous function of thermodynamic forces in the orthotropic planes. A small strain formulation is used to assess damage. In order to account for large deformations, a Kirchhoff material formulation is implemented and coded for numerical simulation in Sandia’s Sierra Finite Element code suite. The theoretical formulation is described in detail. An example of material parameter determination is given and an example is presented.

  5. Mutually consistent thermodynamic potentials for fluid water, ice and seawater: a new standard for oceanography

    Directory of Open Access Journals (Sweden)

    R. Feistel

    2008-12-01

    Full Text Available A new seawater standard for oceanographic and engineering applications has been developed that consists of three independent thermodynamic potential functions, derived from extensive distinct sets of very accurate experimental data. The results have been formulated as Releases of the International Association for the Properties of Water and Steam, IAPWS (1996, 2006, 2008 and are expected to be adopted internationally by other organizations in subsequent years. In order to successfully perform computations such as phase equilibria from combinations of these potential functions, mutual compatibility and consistency of these independent mathematical functions must be ensured. In this article, a brief review of their separate development and ranges of validity is given. We analyse background details on the conditions specified at their reference states, the triple point and the standard ocean state, to ensure the mutual consistency of the different formulations, and the necessity and possibility of numerically evaluating metastable states of liquid water. Computed from this formulation in quadruple precision (128-bit floating point numbers, tables of numerical reference values are provided as anchor points for the consistent incorporation of additional potential functions in the future, and as unambiguous benchmarks to be used in the determination of numerical uncertainty estimates of double-precision implementations on different platforms that may be customized for special purposes.

  6. Continuum mechanics elasticity, plasticity, viscoelasticity

    CERN Document Server

    Dill, Ellis H

    2006-01-01

    FUNDAMENTALS OF CONTINUUM MECHANICSMaterial ModelsClassical Space-TimeMaterial BodiesStrainRate of StrainCurvilinear Coordinate SystemsConservation of MassBalance of MomentumBalance of EnergyConstitutive EquationsThermodynamic DissipationObjectivity: Invariance for Rigid MotionsColeman-Mizel ModelFluid MechanicsProblems for Chapter 1BibliographyNONLINEAR ELASTICITYThermoelasticityMaterial SymmetriesIsotropic MaterialsIncompressible MaterialsConjugate Measures of Stress and StrainSome Symmetry GroupsRate Formulations for Elastic MaterialsEnergy PrinciplesGeometry of Small DeformationsLinear ElasticitySpecial Constitutive Models for Isotropic MaterialsMechanical Restrictions on the Constitutive RelationsProblems for Chapter 2BibliographyLINEAR ELASTICITYBasic EquationsPlane StrainPlane StressProperties of SolutionsPotential EnergySpecial Matrix NotationThe Finite Element Method of SolutionGeneral Equations for an Assembly of ElementsFinite Element Analysis for Large DeformationsProblems for Chapter 3Bibliograph...

  7. A continuum anisotropic damage model with unilateral effect

    Directory of Open Access Journals (Sweden)

    A. Alliche

    2016-02-01

    Full Text Available A continuum damage mechanics model has been derived within the framework of irreversible thermodynamics with internal variables in order to describe the behaviour of quasi-brittle materials under various loading paths. The anisotropic character induced by the progressive material degradation is explicitly taken into account, and the Helmholtz free energy is a scalar function of the basic invariants of the second order strain and damage tensors. The elastic response varies depending on the closed or open configuration of defects. The constitutive laws derived within the framework of irreversible thermodynamics theory display a dissymmetry as well as unilateral effects under tensile and compressive loading conditions. This approach verifies continuity and uniqueness of the potential energy. An application to uniaxial tension-compression loading shows a good adequacy with experimental results when available, and realistic evolutions for computed stresses and strains otherwise.

  8. A continuum mechanics constitutive framework for transverse isotropic soft tissues

    Science.gov (United States)

    Garcia-Gonzalez, D.; Jérusalem, A.; Garzon-Hernandez, S.; Zaera, R.; Arias, A.

    2018-03-01

    In this work, a continuum constitutive framework for the mechanical modelling of soft tissues that incorporates strain rate and temperature dependencies as well as the transverse isotropy arising from fibres embedded into a soft matrix is developed. The constitutive formulation is based on a Helmholtz free energy function decoupled into the contribution of a viscous-hyperelastic matrix and the contribution of fibres introducing dispersion dependent transverse isotropy. The proposed framework considers finite deformation kinematics, is thermodynamically consistent and allows for the particularisation of the energy potentials and flow equations of each constitutive branch. In this regard, the approach developed herein provides the basis on which specific constitutive models can be potentially formulated for a wide variety of soft tissues. To illustrate this versatility, the constitutive framework is particularised here for animal and human white matter and skin, for which constitutive models are provided. In both cases, different energy functions are considered: Neo-Hookean, Gent and Ogden. Finally, the ability of the approach at capturing the experimental behaviour of the two soft tissues is confirmed.

  9. Perspectives on continuum flow models for force-driven nano-channel liquid flows

    Science.gov (United States)

    Beskok, Ali; Ghorbanian, Jafar; Celebi, Alper

    2017-11-01

    A phenomenological continuum model is developed using systematic molecular dynamics (MD) simulations of force-driven liquid argon flows confined in gold nano-channels at a fixed thermodynamic state. Well known density layering near the walls leads to the definition of an effective channel height and a density deficit parameter. While the former defines the slip-plane, the latter parameter relates channel averaged density with the desired thermodynamic state value. Definitions of these new parameters require a single MD simulation performed for a specific liquid-solid pair at the desired thermodynamic state and used for calibration of model parameters. Combined with our observations of constant slip-length and kinematic viscosity, the model accurately predicts the velocity distribution and volumetric and mass flow rates for force-driven liquid flows in different height nano-channels. Model is verified for liquid argon flow at distinct thermodynamic states and using various argon-gold interaction strengths. Further verification is performed for water flow in silica and gold nano-channels, exhibiting slip lengths of 1.2 nm and 15.5 nm, respectively. Excellent agreements between the model and the MD simulations are reported for channel heights as small as 3 nm for various liquid-solid pairs.

  10. Argon plasma jet continuum emission investigation by using different spectroscopic methods

    International Nuclear Information System (INIS)

    Dgheim, J

    2007-01-01

    Radiation and temperature fields of the continuum field are determined by using different spectroscopic methods based on the spectral emission of an argon plasma jet. An interferential filter of bandwidth 2.714 nm centred at a wavelength of 633 nm is used to observe only the continuum emission and to eliminate the self-absorption phenomenon. An optical multichannel analyser (OMA) of an MOS detector is used to measure argon plasma jet volumetric emissivity under atmospheric pressure and high temperatures. An emission spectroscopic method is used to measure the Stark broadening of the hydrogen line H β and to determine the electron density. The local thermodynamic equilibrium is established and its limit is stated. The local electron temperature is determined by two methods (the continuum emission relation and the LTE relations), and the total Biberman factor is measured. The results given by the OMA are compared with those given by the imagery method. At a given wavelength, the Biberman factor, which depends on the electron temperature and the electron density, may serve as an indicator to show where the LTE prevails along the argon plasma jet core length

  11. Stochastic thermodynamics

    Science.gov (United States)

    Eichhorn, Ralf; Aurell, Erik

    2014-04-01

    'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response

  12. Stochastic thermodynamics, fluctuation theorems and molecular machines

    International Nuclear Information System (INIS)

    Seifert, Udo

    2012-01-01

    Stochastic thermodynamics as reviewed here systematically provides a framework for extending the notions of classical thermodynamics such as work, heat and entropy production to the level of individual trajectories of well-defined non-equilibrium ensembles. It applies whenever a non-equilibrium process is still coupled to one (or several) heat bath(s) of constant temperature. Paradigmatic systems are single colloidal particles in time-dependent laser traps, polymers in external flow, enzymes and molecular motors in single molecule assays, small biochemical networks and thermoelectric devices involving single electron transport. For such systems, a first-law like energy balance can be identified along fluctuating trajectories. For a basic Markovian dynamics implemented either on the continuum level with Langevin equations or on a discrete set of states as a master equation, thermodynamic consistency imposes a local-detailed balance constraint on noise and rates, respectively. Various integral and detailed fluctuation theorems, which are derived here in a unifying approach from one master theorem, constrain the probability distributions for work, heat and entropy production depending on the nature of the system and the choice of non-equilibrium conditions. For non-equilibrium steady states, particularly strong results hold like a generalized fluctuation–dissipation theorem involving entropy production. Ramifications and applications of these concepts include optimal driving between specified states in finite time, the role of measurement-based feedback processes and the relation between dissipation and irreversibility. Efficiency and, in particular, efficiency at maximum power can be discussed systematically beyond the linear response regime for two classes of molecular machines, isothermal ones such as molecular motors, and heat engines such as thermoelectric devices, using a common framework based on a cycle decomposition of entropy production. (review article)

  13. Continuum Mechanics

    CERN Document Server

    Romano, Antonio

    2010-01-01

    This book offers a broad overview of the potential of continuum mechanics to describe a wide range of macroscopic phenomena in real-world problems. Building on the fundamentals presented in the authors' previous book, Continuum Mechanics using Mathematica(R), this new work explores interesting models of continuum mechanics, with an emphasis on exploring the flexibility of their applications in a wide variety of fields.Specific topics, which have been chosen to show the power of continuum mechanics to characterize the experimental behavior of real phenomena, include: * various aspects of nonlin

  14. Kinetics of Interactions of Matter, Antimatter and Radiation Consistent with Antisymmetric (CPT-Invariant Thermodynamics

    Directory of Open Access Journals (Sweden)

    A.Y. Klimenko

    2017-05-01

    Full Text Available This work investigates the influence of directional properties of decoherence on kinetics rate equations. The physical reality is understood as a chain of unitary and decoherence events. The former are quantum-deterministic, while the latter introduce uncertainty and increase entropy. For interactions of matter and antimatter, two approaches are considered: symmetric decoherence, which corresponds to conventional symmetric (CP-invariant thermodynamics, and antisymmetric decoherence, which corresponds to antisymmetric (CPT-invariant thermodynamics. Radiation, in its interactions with matter and antimatter, is shown to be decoherence-neutral. The symmetric and antisymmetric assumptions result in different interactions of radiation with matter and antimatter. The theoretical predictions for these differences are testable by comparing absorption (emission of light by thermodynamic systems made of matter and antimatter. Canonical typicality for quantum mixtures is briefly discussed in Appendix A.

  15. Thermodynamic consistency of viscoplastic material models involving external variable rates in the evolution equations for the internal variables

    International Nuclear Information System (INIS)

    Malmberg, T.

    1993-09-01

    The objective of this study is to derive and investigate thermodynamic restrictions for a particular class of internal variable models. Their evolution equations consist of two contributions: the usual irreversible part, depending only on the present state, and a reversible but path dependent part, linear in the rates of the external variables (evolution equations of ''mixed type''). In the first instance the thermodynamic analysis is based on the classical Clausius-Duhem entropy inequality and the Coleman-Noll argument. The analysis is restricted to infinitesimal strains and rotations. The results are specialized and transferred to a general class of elastic-viscoplastic material models. Subsequently, they are applied to several viscoplastic models of ''mixed type'', proposed or discussed in the literature (Robinson et al., Krempl et al., Freed et al.), and it is shown that some of these models are thermodynamically inconsistent. The study is closed with the evaluation of the extended Clausius-Duhem entropy inequality (concept of Mueller) where the entropy flux is governed by an assumed constitutive equation in its own right; also the constraining balance equations are explicitly accounted for by the method of Lagrange multipliers (Liu's approach). This analysis is done for a viscoplastic material model with evolution equations of the ''mixed type''. It is shown that this approach is much more involved than the evaluation of the classical Clausius-Duhem entropy inequality with the Coleman-Noll argument. (orig.) [de

  16. A Thermodynamically-consistent FBA-based Approach to Biogeochemical Reaction Modeling

    Science.gov (United States)

    Shapiro, B.; Jin, Q.

    2015-12-01

    Microbial rates are critical to understanding biogeochemical processes in natural environments. Recently, flux balance analysis (FBA) has been applied to predict microbial rates in aquifers and other settings. FBA is a genome-scale constraint-based modeling approach that computes metabolic rates and other phenotypes of microorganisms. This approach requires a prior knowledge of substrate uptake rates, which is not available for most natural microbes. Here we propose to constrain substrate uptake rates on the basis of microbial kinetics. Specifically, we calculate rates of respiration (and fermentation) using a revised Monod equation; this equation accounts for both the kinetics and thermodynamics of microbial catabolism. Substrate uptake rates are then computed from the rates of respiration, and applied to FBA to predict rates of microbial growth. We implemented this method by linking two software tools, PHREEQC and COBRA Toolbox. We applied this method to acetotrophic methanogenesis by Methanosarcina barkeri, and compared the simulation results to previous laboratory observations. The new method constrains acetate uptake by accounting for the kinetics and thermodynamics of methanogenesis, and predicted well the observations of previous experiments. In comparison, traditional methods of dynamic-FBA constrain acetate uptake on the basis of enzyme kinetics, and failed to reproduce the experimental results. These results show that microbial rate laws may provide a better constraint than enzyme kinetics for applying FBA to biogeochemical reaction modeling.

  17. Self-consistent mean field theory studies of the thermodynamics and quantum spin dynamics of magnetic Skyrmions.

    Science.gov (United States)

    Wieser, R

    2017-05-04

    A self-consistent mean field theory is introduced and used to investigate the thermodynamics and spin dynamics of an S  =  1 quantum spin system with a magnetic Skyrmion. The temperature dependence of the Skyrmion profile as well as the phase diagram are calculated. In addition, the spin dynamics of a magnetic Skyrmion is described by solving the time dependent Schrödinger equation with additional damping term. The Skyrmion annihilation process driven by an electric field is used to compare the trajectories of the quantum mechanical simulation with a semi-classical description for the spin expectation values using a differential equation similar to the classical Landau-Lifshitz-Gilbert equation.

  18. A continuum theory for two-phase flows of particulate solids: application to Poiseuille flows

    Science.gov (United States)

    Monsorno, Davide; Varsakelis, Christos; Papalexandris, Miltiadis V.

    2015-11-01

    In the first part of this talk, we present a novel two-phase continuum model for incompressible fluid-saturated granular flows. The model accounts for both compaction and shear-induced dilatancy and accommodates correlations for the granular rheology in a thermodynamically consistent way. In the second part of this talk, we exercise this two-phase model in the numerical simulation of a fully-developed Poiseuille flow of a dense suspension. The numerical predictions are shown to compare favorably against experimental measurements and confirm that the model can capture the important characteristics of the flow field, such as segregation and formation of plug zones. Finally, results from parametric studies with respect to the initial concentration, the magnitude of the external forcing and the width of the channel are presented and the role of these physical parameters is quantified. Financial Support has been provided by SEDITRANS, an Initial Training Network of the European Commission's 7th Framework Programme

  19. Chemical Thermodynamics Vol. 12 - Chemical Thermodynamics of tin

    International Nuclear Information System (INIS)

    Gamsjaeger, Heinz; GAJDA, Tamas; Sangster, James; Saxena, Surendra K.; Voigt, Wolfgang; Perrone, Jane

    2012-01-01

    This is the 12th volume of a series of expert reviews of the chemical thermodynamics of key chemical elements in nuclear technology and waste management. This volume is devoted to the inorganic species and compounds of tin. The tables contained in Chapters III and IV list the currently selected thermodynamic values within the NEA TDB Project. The database system developed at the NEA Data Bank, see Section II.6, assures consistency among all the selected and auxiliary data sets. The recommended thermodynamic data are the result of a critical assessment of published information. The values in the auxiliary data set, see Tables IV-1 and IV-2, have been adopted from CODATA key values or have been critically reviewed in this or earlier volumes of the series

  20. Frequency chirpings in Alfven continuum

    Science.gov (United States)

    Wang, Ge; Berk, Herb; Breizman, Boris; Zheng, Linjin

    2017-10-01

    We have used a self-consistent mapping technique to describe both the nonlinear wave-energetic particle resonant interaction and its spatial mode structure that depends upon the resonant energetic particle pressure. At the threshold for the onset of the energetic particle mode (EPM), strong chirping emerges in the lower continuum close to the TAE gap and then, driven by strong continuum damping, chirps rapidly to lower frequencies in the Alfven continuum. An adiabatic theory was developed that accurately replicated the results from the simulation where the nonlinearity was only due to the EPM resonant particles. The results show that the EPM-trapped particles have their action conserved during the time of rapid chirping. This adiabaticity enabled wave trapped particles to be confined within their separatrix, and produce even larger resonant structures, that can produce a large amplitude mode far from linearly predicted frequencies. In the present work we describe the effect of additional MHD nonlinearity to this calculation. We studied how the zonal flow component and its nonlinear feedback to the fundamental frequency and found that the MHD nonlinearity doesn't significantly alter the frequency chirping response that is predicted by the calculation that neglects the MHD nonlinearity.

  1. Thermodynamically Consistent Algorithms for the Solution of Phase-Field Models

    KAUST Repository

    Vignal, Philippe

    2016-02-11

    Phase-field models are emerging as a promising strategy to simulate interfacial phenomena. Rather than tracking interfaces explicitly as done in sharp interface descriptions, these models use a diffuse order parameter to monitor interfaces implicitly. This implicit description, as well as solid physical and mathematical footings, allow phase-field models to overcome problems found by predecessors. Nonetheless, the method has significant drawbacks. The phase-field framework relies on the solution of high-order, nonlinear partial differential equations. Solving these equations entails a considerable computational cost, so finding efficient strategies to handle them is important. Also, standard discretization strategies can many times lead to incorrect solutions. This happens because, for numerical solutions to phase-field equations to be valid, physical conditions such as mass conservation and free energy monotonicity need to be guaranteed. In this work, we focus on the development of thermodynamically consistent algorithms for time integration of phase-field models. The first part of this thesis focuses on an energy-stable numerical strategy developed for the phase-field crystal equation. This model was put forward to model microstructure evolution. The algorithm developed conserves, guarantees energy stability and is second order accurate in time. The second part of the thesis presents two numerical schemes that generalize literature regarding energy-stable methods for conserved and non-conserved phase-field models. The time discretization strategies can conserve mass if needed, are energy-stable, and second order accurate in time. We also develop an adaptive time-stepping strategy, which can be applied to any second-order accurate scheme. This time-adaptive strategy relies on a backward approximation to give an accurate error estimator. The spatial discretization, in both parts, relies on a mixed finite element formulation and isogeometric analysis. The codes are

  2. The Entropy Principle from Continuum Mechanics to Hyperbolic Systems of Balance Laws: The Modern Theory of Extended Thermodynamics

    Directory of Open Access Journals (Sweden)

    Tommaso Ruggeri

    2008-09-01

    Full Text Available We discuss the different roles of the entropy principle in modern thermodynamics. We start with the approach of rational thermodynamics in which the entropy principle becomes a selection rule for physical constitutive equations. Then we discuss the entropy principle for selecting admissible discontinuous weak solutions and to symmetrize general systems of hyperbolic balance laws. A particular attention is given on the local and global well-posedness of the relative Cauchy problem for smooth solutions. Examples are given in the case of extended thermodynamics for rarefied gases and in the case of a multi-temperature mixture of fluids.

  3. Map of fluid flow in fractal porous medium into fractal continuum flow.

    Science.gov (United States)

    Balankin, Alexander S; Elizarraraz, Benjamin Espinoza

    2012-05-01

    This paper is devoted to fractal continuum hydrodynamics and its application to model fluid flows in fractally permeable reservoirs. Hydrodynamics of fractal continuum flow is developed on the basis of a self-consistent model of fractal continuum employing vector local fractional differential operators allied with the Hausdorff derivative. The generalized forms of Green-Gauss and Kelvin-Stokes theorems for fractional calculus are proved. The Hausdorff material derivative is defined and the form of Reynolds transport theorem for fractal continuum flow is obtained. The fundamental conservation laws for a fractal continuum flow are established. The Stokes law and the analog of Darcy's law for fractal continuum flow are suggested. The pressure-transient equation accounting the fractal metric of fractal continuum flow is derived. The generalization of the pressure-transient equation accounting the fractal topology of fractal continuum flow is proposed. The mapping of fluid flow in a fractally permeable medium into a fractal continuum flow is discussed. It is stated that the spectral dimension of the fractal continuum flow d(s) is equal to its mass fractal dimension D, even when the spectral dimension of the fractally porous or fissured medium is less than D. A comparison of the fractal continuum flow approach with other models of fluid flow in fractally permeable media and the experimental field data for reservoir tests are provided.

  4. The Dynamics of Heat A Unified Approach to Thermodynamics and Heat Transfer

    CERN Document Server

    Fuchs, Hans U

    2010-01-01

    Based on courses for students of science, engineering, and systems science at the Zurich University of Applied Sciences at Winterthur, this text approaches the fundamentals of thermodynamics from the point of view of continuum physics. By describing physical processes in terms of the flow and balance of physical quantities, the author achieves a unified approach to hydraulics, electricity, mechanics and thermodynamics. In this way, it becomes clear that entropy is the fundamental property that is transported in thermal processes (i.e., heat), and that temperature is the corresponding potential. The resulting theory of the creation, flow, and balance of entropy provides the foundation of a dynamical theory of heat. This extensively revised and updated second edition includes new material on dynamical chemical processes, thermoelectricity, and explicit dynamical modeling of thermal and chemical processes. To make the book more useful for courses on thermodynamics and physical chemistry at different levels, cove...

  5. Towards three-dimensional continuum models of self-consistent along-strike megathrust segmentation

    Science.gov (United States)

    Pranger, Casper; van Dinther, Ylona; May, Dave; Le Pourhiet, Laetitia; Gerya, Taras

    2016-04-01

    At subduction megathrusts, propagation of large ruptures may be confined between the up-dip and down-dip limits of the seismogenic zone. This opens a primary role for lateral rupture dimensions to control the magnitude and severity of megathrust earthquakes. The goal of this study is to improve our understanding of the ways in which the inherent variability of the subduction interface may influence the degree of interseismic locking, and the propensity of a rupture to propagate over regions of variable slip potential. The global absence of a historic record sufficiently long to base risk assessment on, makes us rely on numerical modelling as a way to extend our understanding of the spatio-temporal occurrence of earthquakes. However, the complex interaction of the subduction stress environment, the variability of the subduction interface, and the structure and deformation of the crustal wedge has made it very difficult to construct comprehensive numerical models of megathrust segmentation. We develop and exploit the power of a plastic 3D continuum representation of the subduction megathrust, as well as off-megathrust faulting to model the long-term tectonic build-up of stresses, and their sudden seismic release. The sheer size of the 3D problem, and the time scales covering those of tectonics as well as seismology, force us to explore efficient and accurate physical and numerical techniques. We thus focused our efforts on developing a staggered grid finite difference code that makes use of the PETSc library for massively parallel computing. The code incorporates a newly developed automatic discretization algorithm, which enables it to handle a wide variety of equations with relative ease. The different physical and numerical ingredients - like attenuating visco-elasto-plastic materials, frictional weakening and inertially driven seismic release, and adaptive time marching schemes - most of which have been implemented and benchmarked individually - are now combined

  6. Thermodynamics in Loop Quantum Cosmology

    International Nuclear Information System (INIS)

    Li, L.F.; Zhu, J.Y.

    2009-01-01

    Loop quantum cosmology (LQC) is very powerful to deal with the behavior of early universe. Moreover, the effective loop quantum cosmology gives a successful description of the universe in the semiclassical region. We consider the apparent horizon of the Friedmann-Robertson-Walker universe as a thermodynamical system and investigate the thermodynamics of LQC in the semiclassical region. The effective density and effective pressure in the modified Friedmann equation from LQC not only determine the evolution of the universe in LQC scenario but also are actually found to be the thermodynamic quantities. This result comes from the energy definition in cosmology (the Misner-Sharp gravitational energy) and is consistent with thermodynamic laws. We prove that within the framework of loop quantum cosmology, the elementary equation of equilibrium thermodynamics is still valid.

  7. Continuum limit of the integrable sl(2/1)3-3-bar superspin chain

    International Nuclear Information System (INIS)

    Essler, Fabian H.L.; Frahm, Holger; Saleur, Hubert

    2005-01-01

    By a combination of analytical and numerical techniques, we analyze the continuum limit of the integrable 3 x 3-bar x 3 x 3-bar ...sl(2/1) superspin chain. We discover profoundly new features, including a continuous spectrum of conformal weights, whose numerical evidence is infinite degeneracies of the scaled gaps in the thermodynamic limit. This indicates that the corresponding conformal field theory has a non compact target space (even though our lattice model involves only finite-dimensional representations). We argue that our results are compatible with this theory being the level k=1, 'SU(2/1) WZW model' (whose precise definition requires some care). In doing so, we establish several new results for this model. With regard to potential applications to the spin quantum Hall effect, we conclude that the continuum limit of the 3 x 3-bar x 3 x 3-bar ...sl(2/1) integrable superspin chain is not the same as (and is in fact very different from) the continuum limit of the corresponding chain with two-superspin interactions only, which is known to be a model for the spin quantum Hall effect. The study of possible RG flows between the two theories is left for further study

  8. Nonequilibrium Thermodynamics of Hydrate Growth on a Gas-Liquid Interface

    Science.gov (United States)

    Fu, Xiaojing; Cueto-Felgueroso, Luis; Juanes, Ruben

    2018-04-01

    We develop a continuum-scale phase-field model to study gas-liquid-hydrate systems far from thermodynamic equilibrium. We design a Gibbs free energy functional for methane-water mixtures that recovers the isobaric temperature-composition phase diagram under thermodynamic equilibrium conditions. The proposed free energy is incorporated into a phase-field model to study the dynamics of hydrate formation on a gas-liquid interface. We elucidate the role of initial aqueous concentration in determining the direction of hydrate growth at the interface, in agreement with experimental observations. Our model also reveals two stages of hydrate growth at an interface—controlled by a crossover in how methane is supplied from the gas and liquid phases—which could explain the persistence of gas conduits in hydrate-bearing sediments and other nonequilibrium phenomena commonly observed in natural methane hydrate systems.

  9. Continuum regularized Yang-Mills theory

    International Nuclear Information System (INIS)

    Sadun, L.A.

    1987-01-01

    Using the machinery of stochastic quantization, Z. Bern, M. B. Halpern, C. Taubes and I recently proposed a continuum regularization technique for quantum field theory. This regularization may be implemented by applying a regulator to either the (d + 1)-dimensional Parisi-Wu Langevin equation or, equivalently, to the d-dimensional second order Schwinger-Dyson (SD) equations. This technique is non-perturbative, respects all gauge and Lorentz symmetries, and is consistent with a ghost-free gauge fixing (Zwanziger's). This thesis is a detailed study of this regulator, and of regularized Yang-Mills theory, using both perturbative and non-perturbative techniques. The perturbative analysis comes first. The mechanism of stochastic quantization is reviewed, and a perturbative expansion based on second-order SD equations is developed. A diagrammatic method (SD diagrams) for evaluating terms of this expansion is developed. We apply the continuum regulator to a scalar field theory. Using SD diagrams, we show that all Green functions can be rendered finite to all orders in perturbation theory. Even non-renormalizable theories can be regularized. The continuum regulator is then applied to Yang-Mills theory, in conjunction with Zwanziger's gauge fixing. A perturbative expansion of the regulator is incorporated into the diagrammatic method. It is hoped that the techniques discussed in this thesis will contribute to the construction of a renormalized Yang-Mills theory is 3 and 4 dimensions

  10. Mass transport thermodynamics in nonisothermal molecular liquid mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Semenov, Semen N [Institute for Biochemical Physics, Russian Academy of Sciences, Moscow (Russian Federation); Schimpf, M E [Department of Chemistry and Biochemistry, Boise State University, Boise, ID (United States)

    2009-10-31

    Mass transport in a nonisothermal binary molecular mixture is systematically discussed in terms of nonequilibrium thermodynamics, which for the first time allows a consistent and unambiguous description of the process. The thermodynamic and hydrodynamic approaches are compared, revealing that nonequilibrium thermodynamics and physicochemical hydrodynamics yield essentially the same results for molecular systems. The applicability limits for the proposed version of the thermodynamic approach are determined for large particles. (methodological notes)

  11. The OpenCalphad thermodynamic software interface

    Science.gov (United States)

    Sundman, Bo; Kattner, Ursula R; Sigli, Christophe; Stratmann, Matthias; Le Tellier, Romain; Palumbo, Mauro; Fries, Suzana G

    2017-01-01

    Thermodynamic data are needed for all kinds of simulations of materials processes. Thermodynamics determines the set of stable phases and also provides chemical potentials, compositions and driving forces for nucleation of new phases and phase transformations. Software to simulate materials properties needs accurate and consistent thermodynamic data to predict metastable states that occur during phase transformations. Due to long calculation times thermodynamic data are frequently pre-calculated into “lookup tables” to speed up calculations. This creates additional uncertainties as data must be interpolated or extrapolated and conditions may differ from those assumed for creating the lookup table. Speed and accuracy requires that thermodynamic software is fully parallelized and the Open-Calphad (OC) software is the first thermodynamic software supporting this feature. This paper gives a brief introduction to computational thermodynamics and introduces the basic features of the OC software and presents four different application examples to demonstrate its versatility. PMID:28260838

  12. Stochastic and Macroscopic Thermodynamics of Strongly Coupled Systems

    Directory of Open Access Journals (Sweden)

    Christopher Jarzynski

    2017-01-01

    Full Text Available We develop a thermodynamic framework that describes a classical system of interest S that is strongly coupled to its thermal environment E. Within this framework, seven key thermodynamic quantities—internal energy, entropy, volume, enthalpy, Gibbs free energy, heat, and work—are defined microscopically. These quantities obey thermodynamic relations including both the first and second law, and they satisfy nonequilibrium fluctuation theorems. We additionally impose a macroscopic consistency condition: When S is large, the quantities defined within our framework scale up to their macroscopic counterparts. By satisfying this condition, we demonstrate that a unifying framework can be developed, which encompasses both stochastic thermodynamics at one end, and macroscopic thermodynamics at the other. A central element in our approach is a thermodynamic definition of the volume of the system of interest, which converges to the usual geometric definition when S is large. We also sketch an alternative framework that satisfies the same consistency conditions. The dynamics of the system and environment are modeled using Hamilton’s equations in the full phase space.

  13. Realistic Gamow shell model for resonance and continuum in atomic nuclei

    Science.gov (United States)

    Xu, F. R.; Sun, Z. H.; Wu, Q.; Hu, B. S.; Dai, S. J.

    2018-02-01

    The Gamow shell model can describe resonance and continuum for atomic nuclei. The model is established in the complex-moment (complex-k) plane of the Berggren coordinates in which bound, resonant and continuum states are treated on equal footing self-consistently. In the present work, the realistic nuclear force, CD Bonn, has been used. We have developed the full \\hat{Q}-box folded-diagram method to derive the realistic effective interaction in the model space which is nondegenerate and contains resonance and continuum channels. The CD-Bonn potential is renormalized using the V low-k method. With choosing 16O as the inert core, we have applied the Gamow shell model to oxygen isotopes.

  14. Thermodynamical Approach for The Determination of The Speed of Heat Propagation in Heat Conduction

    International Nuclear Information System (INIS)

    Shnaid, I.

    1998-01-01

    In this work, a thermodynamical approach for the determination of the speed of heat propagation in a heat conductive body is developed. It employs equations of the First and the Second Laws of thermodynamics. The present analyses show that no time delay exists between time moments of heat extraction and heat supply. Therefore, an infinite speed of heat propagation is proven. It is also predicted that there is no time lag between heat flow and temperature difference. A theoretical approach straightforwardly leading from basic equations of the First and the Second Laws of thermodynamics to a kinetic equation describing heat conduction in an isotropic continuum is also developed. It is shown that Fourier's equation is a particular case of the derived kinetic equation. Based on the kinetic equation, the governing heat conduction equation is of tile parabolic type, thus, confirming that speed of heat propagation is infinite

  15. Thermodynamic study of selected monoterpenes III

    International Nuclear Information System (INIS)

    Štejfa, Vojtěch; Fulem, Michal; Růžička, Květoslav; Červinka, Ctirad

    2014-01-01

    Highlights: • (−)-trans-Pinane, (+)-Δ-carene, eucalyptol, and limonene were studied. • New thermodynamic data were measured and calculated. • Many of thermodynamic data are reported for the first time. - Abstract: A thermodynamic study of selected monoterpenes, (−)-trans-pinane, (+)-Δ-carene, eucalyptol, (+)-limonene, and (−)-limonene, is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range (238 to 308) K. Liquid heat capacities were measured by Tian–Calvet calorimetry in the temperature interval (258 to 355) K. The phase behavior was investigated by differential scanning calorimetry (DSC) from T = 183 K. The thermodynamic properties in the ideal-gas state were calculated by combining statistical thermodynamic and density functional theory (DFT) calculations. Calculated ideal-gas heat capacities and experimental data for vapor pressures and condensed phase heat capacities were treated simultaneously to obtain a consistent thermodynamic description

  16. Branch-cut singularities in thermodynamics of Fermi liquid systems.

    Science.gov (United States)

    Shekhter, Arkady; Finkel'stein, Alexander M

    2006-10-24

    The recently measured spin susceptibility of the two-dimensional electron gas exhibits a strong dependence on temperature, which is incompatible with the standard Fermi liquid phenomenology. In this article, we show that the observed temperature behavior is inherent to ballistic two-dimensional electrons. Besides the single-particle and collective excitations, the thermodynamics of Fermi liquid systems includes effects of the branch-cut singularities originating from the edges of the continuum of pairs of quasiparticles. As a result of the rescattering induced by interactions, the branch-cut singularities generate nonanalyticities in the thermodynamic potential that reveal themselves in anomalous temperature dependences. Calculation of the spin susceptibility in such a situation requires a nonperturbative treatment of the interactions. As in high-energy physics, a mixture of the collective excitations and pairs of quasiparticles can effectively be described by a pole in the complex momentum plane. This analysis provides a natural explanation for the observed temperature dependence of the spin susceptibility, both in sign and in magnitude.

  17. On the Validity of Continuum Computational Fluid Dynamics Approach Under Very Low-Pressure Plasma Spray Conditions

    Science.gov (United States)

    Ivchenko, Dmitrii; Zhang, Tao; Mariaux, Gilles; Vardelle, Armelle; Goutier, Simon; Itina, Tatiana E.

    2018-01-01

    Plasma spray physical vapor deposition aims to substantially evaporate powders in order to produce coatings with various microstructures. This is achieved by powder vapor condensation onto the substrate and/or by deposition of fine melted powder particles and nanoclusters. The deposition process typically operates at pressures ranging between 10 and 200 Pa. In addition to the experimental works, numerical simulations are performed to better understand the process and optimize the experimental conditions. However, the combination of high temperatures and low pressure with shock waves initiated by supersonic expansion of the hot gas in the low-pressure medium makes doubtful the applicability of the continuum approach for the simulation of such a process. This work investigates (1) effects of the pressure dependence of thermodynamic and transport properties on computational fluid dynamics (CFD) predictions and (2) the validity of the continuum approach for thermal plasma flow simulation under very low-pressure conditions. The study compares the flow fields predicted with a continuum approach using CFD software with those obtained by a kinetic-based approach using a direct simulation Monte Carlo method (DSMC). It also shows how the presence of high gradients can contribute to prediction errors for typical PS-PVD conditions.

  18. From coherent to incoherent mismatched interfaces: A generalized continuum formulation of surface stresses

    Science.gov (United States)

    Dingreville, Rémi; Hallil, Abdelmalek; Berbenni, Stéphane

    2014-12-01

    The equilibrium of coherent and incoherent mismatched interfaces is reformulated in the context of continuum mechanics based on the Gibbs dividing surface concept. Two surface stresses are introduced: a coherent surface stress and an incoherent surface stress, as well as a transverse excess strain. The coherent surface stress and the transverse excess strain represent the thermodynamic driving forces of stretching the interface while the incoherent surface stress represents the driving force of stretching one crystal while holding the other fixed and thereby altering the structure of the interface. These three quantities fully characterize the elastic behavior of coherent and incoherent interfaces as a function of the in-plane strain, the transverse stress and the mismatch strain. The isotropic case is developed in detail and particular attention is paid to the case of interfacial thermo-elasticity. This exercise provides an insight on the physical significance of the interfacial elastic constants introduced in the formulation and illustrates the obvious coupling between the interface structure and its associated thermodynamics quantities. Finally, an example based on atomistic simulations of Cu/Cu2O interfaces is given to demonstrate the relevance of the generalized interfacial formulation and to emphasize the dependence of the interfacial thermodynamic quantities on the incoherency strain with an actual material system.

  19. Discrete-to-continuum modelling of weakly interacting incommensurate two-dimensional lattices.

    Science.gov (United States)

    Español, Malena I; Golovaty, Dmitry; Wilber, J Patrick

    2018-01-01

    In this paper, we derive a continuum variational model for a two-dimensional deformable lattice of atoms interacting with a two-dimensional rigid lattice. The starting point is a discrete atomistic model for the two lattices which are assumed to have slightly different lattice parameters and, possibly, a small relative rotation. This is a prototypical example of a three-dimensional system consisting of a graphene sheet suspended over a substrate. We use a discrete-to-continuum procedure to obtain the continuum model which recovers both qualitatively and quantitatively the behaviour observed in the corresponding discrete model. The continuum model predicts that the deformable lattice develops a network of domain walls characterized by large shearing, stretching and bending deformation that accommodates the misalignment and/or mismatch between the deformable and rigid lattices. Two integer-valued parameters, which can be identified with the components of a Burgers vector, describe the mismatch between the lattices and determine the geometry and the details of the deformation associated with the domain walls.

  20. Thermodynamic approach to the inelastic state variable theories

    International Nuclear Information System (INIS)

    Dashner, P.A.

    1978-06-01

    A continuum model is proposed as a theoretical foundation for the inelastic state variable theory of Hart. The model is based on the existence of a free energy function and the assumption that a strained material element recalls two other local configurations which are, in some specified manner, descriptive of prior deformation. A precise formulation of these material hypotheses within the classical thermodynamical framework leads to the recovery of a generalized elastic law and the specification of evolutionary laws for the remembered configurations which are frame invariant and formally valid for finite strains. Moreover, the precise structure of Hart's theory is recovered when strains are assumed to be small

  1. Thermodynamic study of selected monoterpenes II

    International Nuclear Information System (INIS)

    Štejfa, Vojtěch; Fulem, Michal; Růžička, Květoslav; Červinka, Ctirad

    2014-01-01

    Highlights: • (−)-Borneol, (−)-camphor, (±)-camphene, and (+)-fenchone were studied. • New thermodynamic data were measured and calculated. • Most of thermodynamic data are reported for the first time. - Abstract: A thermodynamic study of selected monoterpenes, (−)-borneol, (−)-camphor, (±)-camphene, and (+)-fenchone is presented in this work. The vapor pressure measurements were performed using the static method over the environmentally important temperature range from (238 to 308) K. Heat capacities of condensed phases were measured by Tian–Calvet calorimetry in the temperature interval from (258 to 355) K. The phase behavior was investigated by differential scanning calorimetry (DSC) from subambient temperatures up to the fusion temperatures. The thermodynamic properties in the ideal-gas state were calculated by combining statistical thermodynamic and density functional theory (DFT) calculations. Calculated ideal-gas heat capacities and experimental data for vapor pressures and condensed phase heat capacities were treated simultaneously to obtain a consistent thermodynamic description

  2. Passing waves from atomistic to continuum

    Science.gov (United States)

    Chen, Xiang; Diaz, Adrian; Xiong, Liming; McDowell, David L.; Chen, Youping

    2018-02-01

    Progress in the development of coupled atomistic-continuum methods for simulations of critical dynamic material behavior has been hampered by a spurious wave reflection problem at the atomistic-continuum interface. This problem is mainly caused by the difference in material descriptions between the atomistic and continuum models, which results in a mismatch in phonon dispersion relations. In this work, we introduce a new method based on atomistic dynamics of lattice coupled with a concurrent atomistic-continuum method to enable a full phonon representation in the continuum description. This permits the passage of short-wavelength, high-frequency phonon waves from the atomistic to continuum regions. The benchmark examples presented in this work demonstrate that the new scheme enables the passage of all allowable phonons through the atomistic-continuum interface; it also preserves the wave coherency and energy conservation after phonons transport across multiple atomistic-continuum interfaces. This work is the first step towards developing a concurrent atomistic-continuum simulation tool for non-equilibrium phonon-mediated thermal transport in materials with microstructural complexity.

  3. Understanding the shock and detonation response of high explosives at the continuum and meso scales

    Science.gov (United States)

    Handley, C. A.; Lambourn, B. D.; Whitworth, N. J.; James, H. R.; Belfield, W. J.

    2018-03-01

    The shock and detonation response of high explosives has been an active research topic for more than a century. In recent years, high quality data from experiments using embedded gauges and other diagnostic techniques have inspired the development of a range of new high-fidelity computer models for explosives. The experiments and models have led to new insights, both at the continuum scale applicable to most shock and detonation experiments, and at the mesoscale relevant to hotspots and burning within explosive microstructures. This article reviews the continuum and mesoscale models, and their application to explosive phenomena, gaining insights to aid future model development and improved understanding of the physics of shock initiation and detonation propagation. In particular, it is argued that "desensitization" and the effect of porosity on high explosives can both be explained by the combined effect of thermodynamics and hydrodynamics, rather than the traditional hotspot-based explanations linked to pressure-dependent reaction rates.

  4. Continuum and crystal strain gradient plasticity with energetic and dissipative length scales

    Science.gov (United States)

    Faghihi, Danial

    This work, standing as an attempt to understand and mathematically model the small scale materials thermal and mechanical responses by the aid of Materials Science fundamentals, Continuum Solid Mechanics, Misro-scale experimental observations, and Numerical methods. Since conventional continuum plasticity and heat transfer theories, based on the local thermodynamic equilibrium, do not account for the microstructural characteristics of materials, they cannot be used to adequately address the observed mechanical and thermal response of the micro-scale metallic structures. Some of these cases, which are considered in this dissertation, include the dependency of thin films strength on the width of the sample and diffusive-ballistic response of temperature in the course of heat transfer. A thermodynamic-based higher order gradient framework is developed in order to characterize the mechanical and thermal behavior of metals in small volume and on the fast transient time. The concept of the thermal activation energy, the dislocations interaction mechanisms, nonlocal energy exchange between energy carriers and phonon-electrons interactions are taken into consideration in proposing the thermodynamic potentials such as Helmholtz free energy and rate of dissipation. The same approach is also adopted to incorporate the effect of the material microstructural interface between two materials (e.g. grain boundary in crystals) into the formulation. The developed grain boundary flow rule accounts for the energy storage at the grain boundary due to the dislocation pile up as well as energy dissipation caused by the dislocation transfer through the grain boundary. Some of the abovementioned responses of small scale metallic compounds are addressed by means of the numerical implementation of the developed framework within the finite element context. In this regard, both displacement and plastic strain fields are independently discretized and the numerical implementation is performed in

  5. Continuum mechanics of anisotropic materials

    CERN Document Server

    Cowin, Stephen C

    2013-01-01

    Continuum Mechanics of Anisotropic Materials(CMAM) presents an entirely new and unique development of material anisotropy in the context of an appropriate selection and organization of continuum mechanics topics. These features will distinguish this continuum mechanics book from other books on this subject. Textbooks on continuum mechanics are widely employed in engineering education, however, none of them deal specifically with anisotropy in materials. For the audience of Biomedical, Chemical and Civil Engineering students, these materials will be dealt with more frequently and greater accuracy in their analysis will be desired. Continuum Mechanics of Anisotropic Materials' author has been a leader in the field of developing new approaches for the understanding of anisotropic materials.

  6. How do we model continuum QCD

    International Nuclear Information System (INIS)

    Cornwall, J.M.

    1986-01-01

    The nonperturbative aspects of continuum QCD are so complex that one can only hope to approach them through well-motivated models. The author reviews the general properties that any such model must have, based on the understanding of the gluon condensate in the QCD vacuum. A specific, practical model is proposed motivated by a picture of the condensate as made of thick vortex sheets self-consistently constructed from dynamically massive gluons. (author)

  7. Capillary adhesion in the limit of saturation: Thermodynamics, self-consistent field modeling and experiment

    NARCIS (Netherlands)

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

    2008-01-01

    We introduce a simple thermodynamic argument for capillary adhesion forces, for various geometries, in the limit of saturation of the bulk phase. For one specific geometry (i.e., the sphere¿plate geometry such as that found in the colloidal probe AFM technique), we provide evidence of the validity

  8. Development of a representational conceptual evaluation in the first law of thermodynamics

    Science.gov (United States)

    Sriyansyah, S. P.; Suhandi, A.

    2016-08-01

    As part of an ongoing research to investigate student consistency in understanding the first law of thermodynamics, a representational conceptual evaluation (RCET) has been developed to assess student conceptual understanding, representational consistency, and scientific consistency in the introductory physics course. Previous physics education research findings were used to develop the test. RCET items were 30 items which designed as an isomorphic multiple-choice test with three different representations concerning the concept of work, heat, first law of thermodynamics, and its application in the thermodynamic processes. Here, we present preliminary measures of the validity and reliability of the instrument, including the classical test statistics. This instrument can be used to measure the intended concept in the first law of thermodynamics and it will give the consistent results with the ability to differentiate well between high-achieving students and low-achieving students and also students at different level. As well as measuring the effectiveness of the learning process in the concept of the first law of thermodynamics.

  9. Development of a representational conceptual evaluation in the first law of thermodynamics

    International Nuclear Information System (INIS)

    Sriyansyah, S P; Suhandi, A

    2016-01-01

    As part of an ongoing research to investigate student consistency in understanding the first law of thermodynamics, a representational conceptual evaluation (RCET) has been developed to assess student conceptual understanding, representational consistency, and scientific consistency in the introductory physics course. Previous physics education research findings were used to develop the test. RCET items were 30 items which designed as an isomorphic multiple-choice test with three different representations concerning the concept of work, heat, first law of thermodynamics, and its application in the thermodynamic processes. Here, we present preliminary measures of the validity and reliability of the instrument, including the classical test statistics. This instrument can be used to measure the intended concept in the first law of thermodynamics and it will give the consistent results with the ability to differentiate well between high-achieving students and low-achieving students and also students at different level. As well as measuring the effectiveness of the learning process in the concept of the first law of thermodynamics. (paper)

  10. Continuum robots and underactuated grasping

    Directory of Open Access Journals (Sweden)

    N. Giri

    2011-02-01

    Full Text Available We discuss the capabilities of continuum (continuous backbone robot structures in the performance of under-actuated grasping. Continuum robots offer the potential of robust grasps over a wide variety of object classes, due to their ability to adapt their shape to interact with the environment via non-local continuum contact conditions. Furthermore, this capability can be achieved with simple, low degree of freedom hardware. However, there are practical issues which currently limit the application of continuum robots to grasping. We discuss these issues and illustrate via an experimental continuum grasping case study.

    This paper was presented at the IFToMM/ASME International Workshop on Underactuated Grasping (UG2010, 19 August 2010, Montréal, Canada.

  11. Thermodynamic modeling of the Co-Fe-O system

    DEFF Research Database (Denmark)

    Zhang, Weiwei; Chen, Ming

    2013-01-01

    As a part of the research project aimed at developing a thermodynamic database of the La-Sr-Co-Fe-O system for applications in Solid Oxide Fuel Cells (SOFCs), the Co-Fe-O subsystem was thermodynamically re-modeled in the present work using the CALPHAD methodology. The solid phases were described...... using the Compound Energy Formalism (CEF) and the ionized liquid was modeled with the ionic two-sublattice model based on CEF. A set of self-consistent thermodynamic parameters was obtained eventually. Calculated phase diagrams and thermodynamic properties are presented and compared with experimental...

  12. A thermodynamic assessment of the La-Al system

    International Nuclear Information System (INIS)

    Yin, F.; Su, X.; Li, Z.; Huang, M.; Shi, Y.

    2000-01-01

    The optimized descriptions of the phase diagram and thermodynamic properties of the La-Al system have been obtained from experimental thermodynamic and phase diagram data by means of the computer program thermo-calc based on the least squares method, using models for the Gibbs energy of individual phases. The system contains six intermetallic compounds. A consistent set of thermodynamic parameters was derived. Optimized and experimental data are in good agreement (orig.)

  13. A comparison of synthetic and measured solar continuum intensities and limb darkening coefficients

    International Nuclear Information System (INIS)

    Ayres, T.R.

    1978-01-01

    Absolute continuum intensities and wavelength-dependent low-order polynomial fits to optical and infrared continuum limb darkening provide useful discriminants among single-component models of the solar photosphere. The thermal structure in best quantitative agreement with the recent center-limb measurements by Pierce and Slaughter (1977) and by Pierce et.al. (1977) is the semi-empirical model by Vernazza, Avrett and Loeser (VAL). However, the VAL model M temperatures must be scaled upward by a factor of 1.015+-0.005 to be consistent with the Labs and Neckel absolute calibration of continuum high points in the optical region 0.40-0.65 μm. (Auth.)

  14. Computation of thermodynamic equilibria of nuclear materials in multi-physics codes

    International Nuclear Information System (INIS)

    Piro, M.H.; Lewis, B.J.; Thompson, W.T.; Simunovic, S.; Besmann, T.M.

    2011-01-01

    A new equilibrium thermodynamic solver is being developed with the primary impetus of direct integration into nuclear fuel performance and safety codes to provide improved predictions of fuel behavior. This solver is intended to provide boundary conditions and material properties for continuum transport calculations. There are several legitimate concerns with the use of existing commercial thermodynamic codes: 1) licensing entanglements associated with code distribution, 2) computational performance, and 3) limited capabilities of handling large multi-component systems of interest to the nuclear industry. The development of this solver is specifically aimed at addressing these concerns. In support of this goal, a new numerical algorithm for computing chemical equilibria is presented which is not based on the traditional steepest descent method or 'Gibbs energy minimization' technique. This new approach exploits fundamental principles of equilibrium thermodynamics, which simplifies the optimization equations. The chemical potentials of all species and phases in the system are constrained by the system chemical potentials, and the objective is to minimize the residuals of the mass balance equations. Several numerical advantages are achieved through this simplification, as described in this paper. (author)

  15. On the equivalence of continuum and lattice models for fluids

    International Nuclear Information System (INIS)

    Panagiotopoulos, Athanassios Z.

    2000-01-01

    It was demonstrated that finely discretized lattice models for fluids with particles interacting via Lennard-Jones or exponential-6 potentials have essentially identical thermodynamic and structural properties to their continuum counterparts. Grand canonical histogram reweighting Monte Carlo calculations were performed for systems with repulsion exponents between 11 and 22. Critical parameters were determined from mixed-field finite-size scaling methods. Numerical equivalence of lattice and continuous space models, within simulation uncertainties, was observed for lattices with ratio of particle diameter σ to grid spacing of 10. The lattice model calculations were more efficient computationally by factors between 10 and 20. It was also shown that Lennard-Jones and exponential-6 based models with identical critical properties can be constructed by appropriate choice of the repulsion exponent. (c) 2000 American Institute of Physics

  16. Dynamics and Thermodynamics of Molecular Machines

    DEFF Research Database (Denmark)

    Golubeva, Natalia

    2014-01-01

    to their microscopic size, molecular motors are governed by principles fundamentally different from those describing the operation of man-made motors such as car engines. In this dissertation the dynamic and thermodynamic properties of molecular machines are studied using the tools of nonequilibrium statistical......Molecular machines, or molecular motors, are small biophysical devices that perform a variety of essential metabolic processes such as DNA replication, protein synthesis and intracellular transport. Typically, these machines operate by converting chemical energy into motion and mechanical work. Due...... mechanics. The first part focuses on noninteracting molecular machines described by a paradigmatic continuum model with the aim of comparing and contrasting such a description to the one offered by the widely used discrete models. Many molecular motors, for example, kinesin involved in cellular cargo...

  17. Mutually consistent thermodynamic potentials for fluid water, ice and seawater: a new standard for oceanography

    Czech Academy of Sciences Publication Activity Database

    Feistel, R.; Wright, D.G.; Miyagawa, K.; Harvey, A.H.; Hrubý, Jan; Jackett, D.R.; McDougall, T.J.; Wagner, W.

    2008-01-01

    Roč. 4, č. 4 (2008), s. 275-291 ISSN 1812-0784 Institutional research plan: CEZ:AV0Z20760514 Keywords : seawater * equation of state * metastable states Subject RIV: BJ - Thermodynamics www.ocean-sci.net/4/275/2008

  18. Thermodynamically consistent modeling and simulation of multi-component two-phase flow with partial miscibility

    KAUST Repository

    Kou, Jisheng

    2017-12-09

    A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is an attractive alternative recently over the NPT-based framework to model the realistic fluids. The proposed model uses the Helmholtz free energy rather than Gibbs free energy in the NPT-based framework. Different from the classical routines, we combine the first law of thermodynamics and related thermodynamical relations to derive the entropy balance equation, and then we derive a transport equation of the Helmholtz free energy density. Furthermore, by using the second law of thermodynamics, we derive a set of unified equations for both interfaces and bulk phases that can describe the partial miscibility of multiple fluids. A relation between the pressure gradient and chemical potential gradients is established, and this relation leads to a new formulation of the momentum balance equation, which demonstrates that chemical potential gradients become the primary driving force of fluid motion. Moreover, we prove that the proposed model satisfies the total (free) energy dissipation with time. For numerical simulation of the proposed model, the key difficulties result from the strong nonlinearity of Helmholtz free energy density and tight coupling relations between molar densities and velocity. To resolve these problems, we propose a novel convex-concave splitting of Helmholtz free energy density and deal well with the coupling relations between molar densities and velocity through very careful physical observations with a mathematical rigor. We prove that the proposed numerical scheme can preserve the discrete (free) energy dissipation. Numerical tests are carried out to verify the effectiveness of the proposed method.

  19. Continuum mechanics

    CERN Document Server

    Spencer, A J M

    2004-01-01

    The mechanics of fluids and the mechanics of solids represent the two major areas of physics and applied mathematics that meet in continuum mechanics, a field that forms the foundation of civil and mechanical engineering. This unified approach to the teaching of fluid and solid mechanics focuses on the general mechanical principles that apply to all materials. Students who have familiarized themselves with the basic principles can go on to specialize in any of the different branches of continuum mechanics. This text opens with introductory chapters on matrix algebra, vectors and Cartesian ten

  20. Thermodynamic evaluation of the Ti-Al-O ternary system

    International Nuclear Information System (INIS)

    Lee, B.-J.

    1997-01-01

    A thermodynamic evaluation of the Ti-Al-O ternary system has been made by using thermodynamic models for the Gibbs energy of individual phases. A consistent model parameter set was determined so that the calculation of isothermal sections and other thermodynamic quantities becomes possible. The agreement between calculation and corresponding experimental data was generally good along large temperature and composition range. (orig.)

  1. A thermodynamic evaluation of the Fe-Nb system

    International Nuclear Information System (INIS)

    Srikanth, S.; Petric, A.

    1994-01-01

    An optimised set of thermodynamic functions consistent with the phase diagram was derived for the Fe-Nb system from information on phase equilibria and thermodynamic data available in the literature. The thermodynamic properties of the intermediate ε (Fe 2 Nb) phase were described using the sublattice model. A Redlich-Kister equation was used to describe the excess thermodynamic functions of the liquid, bcc and fcc phases. For the μ phase, the enthalpy of formation was estimated from Miedema's model. The interaction coefficients were evaluated using an optimisation procedure employing a conjugate gradient method. The phase diagram and the thermodynamic functions calculated from the evaluated parameters are in good agreement with experimental data. (orig.)

  2. Continuum limbed robots for locomotion

    Science.gov (United States)

    Mutlu, Alper

    This thesis focuses on continuum robots based on pneumatic muscle technology. We introduce a novel approach to use these muscles as limbs of lightweight legged robots. The flexibility of the continuum legs of these robots offers the potential to perform some duties that are not possible with classical rigid-link robots. Potential applications are as space robots in low gravity, and as cave explorer robots. The thesis covers the fabrication process of continuum pneumatic muscles and limbs. It also provides some new experimental data on this technology. Afterwards, the designs of two different novel continuum robots - one tripod, one quadruped - are introduced. Experimental data from tests using the robots is provided. The experimental results are the first published example of locomotion with tripod and quadruped continuum legged robots. Finally, discussion of the results and how far this technology can go forward is presented.

  3. Quantum thermodynamics of general quantum processes.

    Science.gov (United States)

    Binder, Felix; Vinjanampathy, Sai; Modi, Kavan; Goold, John

    2015-03-01

    Accurately describing work extraction from a quantum system is a central objective for the extension of thermodynamics to individual quantum systems. The concepts of work and heat are surprisingly subtle when generalizations are made to arbitrary quantum states. We formulate an operational thermodynamics suitable for application to an open quantum system undergoing quantum evolution under a general quantum process by which we mean a completely positive and trace-preserving map. We derive an operational first law of thermodynamics for such processes and show consistency with the second law. We show that heat, from the first law, is positive when the input state of the map majorizes the output state. Moreover, the change in entropy is also positive for the same majorization condition. This makes a strong connection between the two operational laws of thermodynamics.

  4. Nonequilibrium thermodynamics of nucleation

    NARCIS (Netherlands)

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

    2014-01-01

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

  5. Relativistic continuum random phase approximation in spherical nuclei

    International Nuclear Information System (INIS)

    Daoutidis, Ioannis

    2009-01-01

    Covariant density functional theory is used to analyze the nuclear response in the external multipole fields. The investigations are based on modern functionals with zero range and density dependent coupling constants. After a self-consistent solution of the Relativistic Mean Field (RMF) equations for the nuclear ground states multipole giant resonances are studied within the Relativistic Random Phase Approximation (RRPA), the small amplitude limit of the time-dependent RMF. The coupling to the continuum is treated precisely by calculating the single particle Greens-function of the corresponding Dirac equation. In conventional methods based on a discretization of the continuum this was not possible. The residual interaction is derived from the same RMF Lagrangian. This guarantees current conservation and a precise decoupling of the Goldstone modes. For nuclei with open shells pairing correlations are taken into account in the framework of BCS theory and relativistic quasiparticle RPA. Continuum RPA (CRPA) presents a robust method connected with an astonishing reduction of the numerical effort as compared to conventional methods. Modes of various multipolarities and isospin are investigated, in particular also the newly discovered Pygmy modes in the vicinity of the neutron evaporation threshold. The results are compared with conventional discrete RPA calculations as well as with experimental data. We find that the full treatment of the continuum is essential for light nuclei and the study of resonances in the neighborhood of the threshold. (orig.)

  6. Relativistic continuum random phase approximation in spherical nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Daoutidis, Ioannis

    2009-10-01

    Covariant density functional theory is used to analyze the nuclear response in the external multipole fields. The investigations are based on modern functionals with zero range and density dependent coupling constants. After a self-consistent solution of the Relativistic Mean Field (RMF) equations for the nuclear ground states multipole giant resonances are studied within the Relativistic Random Phase Approximation (RRPA), the small amplitude limit of the time-dependent RMF. The coupling to the continuum is treated precisely by calculating the single particle Greens-function of the corresponding Dirac equation. In conventional methods based on a discretization of the continuum this was not possible. The residual interaction is derived from the same RMF Lagrangian. This guarantees current conservation and a precise decoupling of the Goldstone modes. For nuclei with open shells pairing correlations are taken into account in the framework of BCS theory and relativistic quasiparticle RPA. Continuum RPA (CRPA) presents a robust method connected with an astonishing reduction of the numerical effort as compared to conventional methods. Modes of various multipolarities and isospin are investigated, in particular also the newly discovered Pygmy modes in the vicinity of the neutron evaporation threshold. The results are compared with conventional discrete RPA calculations as well as with experimental data. We find that the full treatment of the continuum is essential for light nuclei and the study of resonances in the neighborhood of the threshold. (orig.)

  7. Simulated annealing with constant thermodynamic speed

    International Nuclear Information System (INIS)

    Salamon, P.; Ruppeiner, G.; Liao, L.; Pedersen, J.

    1987-01-01

    Arguments are presented to the effect that the optimal annealing schedule for simulated annealing proceeds with constant thermodynamic speed, i.e., with dT/dt = -(v T)/(ε-√C), where T is the temperature, ε- is the relaxation time, C ist the heat capacity, t is the time, and v is the thermodynamic speed. Experimental results consistent with this conjecture are presented from simulated annealing on graph partitioning problems. (orig.)

  8. The thermodynamics of protein folding: a critique of widely used quasi-thermodynamic interpretations and a restatement based on the Gibbs-Duhem relation and consistent with the Phase Rule.

    Science.gov (United States)

    Pethica, Brian A

    2010-07-21

    Interpretations of data in the extensive literature on the unfolding of proteins in aqueous solution follow a variety of methods involving assumptions leading to estimates of thermodynamic quantities associated with the unfolding transition. Inconsistencies and thermodynamic errors in these methods are identified. Estimates of standard molar free energies and enthalpies of unfolding using incompletely defined equilibrium constants and the van't Hoff relation are unsound, and typically contradict model-free interpretation of the data. A widely used routine for estimating the change in heat capacity associated with unfolding based on changes in the unfolding temperature and enthalpy co-induced by addition of denaturant or protective additives is thermodynamically incorrect by neglect of the Phase Rule. Many models and simulations predicting thermodynamic measures of unfolding are presently making comparisons with insecure quantities derived by incorrect thermodynamic analyses of experimental data. Analysis of unfolding via the Gibbs-Duhem equation with the correct Phase Rule constraints avoids the assumptions associated with incomplete equilibrium constants and misuse of the van't Hoff relation, and applies equally to positive, negative, sitewise or diffuse solute binding to the protein. The method gives the necessary relations between the thermodynamic parameters for thermal and isothermal unfolding and is developed for the case of two-state unfolding. The differences in binding of denaturants or stabilizers to the folded and unfolded forms of the protein are identified as major determinants of the unfolding process. The Phase Rule requires the temperature and enthalpy of unfolding to depend generally on the protein concentration. The available evidence bears out this expectation for thermal unfolding, indicating that protein-protein interactions influence folding. A parallel dependence of the denaturant concentrations for isothermal unfolding on the protein

  9. Statistical thermodynamics of clustered populations.

    Science.gov (United States)

    Matsoukas, Themis

    2014-08-01

    We present a thermodynamic theory for a generic population of M individuals distributed into N groups (clusters). We construct the ensemble of all distributions with fixed M and N, introduce a selection functional that embodies the physics that governs the population, and obtain the distribution that emerges in the scaling limit as the most probable among all distributions consistent with the given physics. We develop the thermodynamics of the ensemble and establish a rigorous mapping to regular thermodynamics. We treat the emergence of a so-called giant component as a formal phase transition and show that the criteria for its emergence are entirely analogous to the equilibrium conditions in molecular systems. We demonstrate the theory by an analytic model and confirm the predictions by Monte Carlo simulation.

  10. A theory of thermodynamics for nanoscale quantum systems

    NARCIS (Netherlands)

    Ng, N.H.Y.

    2017-01-01

    Thermodynamics is one of the main pillars of theoretical physics, and it has a special appeal of having wide applicability to a large variety of different physical systems. However, many assumptions in thermodynamics apply only to systems which are bulk material, i.e. consisting a large number of

  11. Is the thermodynamic behavior of the noble fluids consistent with the principle of corresponding states?

    NARCIS (Netherlands)

    Kulinskii, V.L.; Malomuzh, N.P.; Matvejchuk, O.I.

    2009-01-01

    The applicability of the Principle of Corresponding States (PCS) for the noble fluids is discussed. We give the thermodynamic evidence for the dimerization of the liquid phase in heavy noble gases like argon, krypton etc. which manifests itself in deviations from the PCS. The behavior of the

  12. The Virtuality Continuum Revisited

    NARCIS (Netherlands)

    Nijholt, Antinus; Traum, D.; Zhai, Sh.; Kellogg, W.

    2005-01-01

    We survey the themes and the aims of a workshop devoted to the state-of-the-art virtuality continuum. In this continuum, ranging from fully virtual to real physical environments, allowing for mixed, augmented and desktop virtual reality, several perspectives can be taken. Originally, the emphasis

  13. Thermodynamically consistent simulation of nonisothermal diffuse-interface two-phase flow with Peng-Robinson equation of state

    KAUST Repository

    Kou, Jisheng; Sun, Shuyu

    2017-01-01

    In this paper, we consider a diffuse-interface gas-liquid two-phase flow model with inhomogeneous temperatures, in which we employ the Peng-Robinson equation of state and the temperature-dependent influence parameter instead of the van der Waals equation of state and the constant influence parameter used in the existing models. As a result, our model can characterize accurately the physical behaviors of numerous realistic gas-liquid fluids, especially hydrocarbons. Furthermore, we prove a relation associating the pressure gradient with the gradients of temperature and chemical potential, and thereby derive a new formulation of the momentum balance equation, which shows that gradients of the chemical potential and temperature become the primary driving force of the fluid motion. It is rigorously proved that the new formulations of the model obey the first and second laws of thermodynamics. To design efficient numerical methods, we prove that Helmholtz free energy density is a concave function with respect to the temperature under certain physical conditions. Based on the proposed modeling formulations and the convex-concave splitting of Helmholtz free energy density, we propose a novel thermodynamically stable numerical scheme. We rigorously prove that the proposed method satisfies the first and second laws of thermodynamics. Finally, numerical tests are carried out to verify the effectiveness of the proposed simulation method.

  14. Thermodynamically consistent simulation of nonisothermal diffuse-interface two-phase flow with Peng-Robinson equation of state

    KAUST Repository

    Kou, Jisheng

    2017-12-06

    In this paper, we consider a diffuse-interface gas-liquid two-phase flow model with inhomogeneous temperatures, in which we employ the Peng-Robinson equation of state and the temperature-dependent influence parameter instead of the van der Waals equation of state and the constant influence parameter used in the existing models. As a result, our model can characterize accurately the physical behaviors of numerous realistic gas-liquid fluids, especially hydrocarbons. Furthermore, we prove a relation associating the pressure gradient with the gradients of temperature and chemical potential, and thereby derive a new formulation of the momentum balance equation, which shows that gradients of the chemical potential and temperature become the primary driving force of the fluid motion. It is rigorously proved that the new formulations of the model obey the first and second laws of thermodynamics. To design efficient numerical methods, we prove that Helmholtz free energy density is a concave function with respect to the temperature under certain physical conditions. Based on the proposed modeling formulations and the convex-concave splitting of Helmholtz free energy density, we propose a novel thermodynamically stable numerical scheme. We rigorously prove that the proposed method satisfies the first and second laws of thermodynamics. Finally, numerical tests are carried out to verify the effectiveness of the proposed simulation method.

  15. Reverberation Mapping of the Continuum Source in Active Galactic Nuclei

    Science.gov (United States)

    Fausnaugh, Michael Martin

    I present results from a monitoring campaign of 11 active galactic nuclei (AGN) conducted in Spring of 2014. I use the reverberation mapping method to probe the interior structures of the AGN, specifically the broad line regions (BLRs) and accretion disks. One of these AGN, NGC 5548, was also subject to multi-wavelength (X-ray, UV, optical, and near-IR) monitoring using 25 ground-based telescopes and four space-based facilities. For NGC 5548, I detect lags between the continuum emission at different wavelengths that follow a trend consistent with the prediction for continuum reprocessing by an accretion disk with temperature profile T ∝ R -3/4. However, the lags imply a disk radius that is 3 times larger than the prediction from standard thin-disk models. The lags at wavelengths longer than the Vband are also equal to or greater than the lags of high-ionization-state emission lines (such as HeII lambda1640 and lambda4686), suggesting that the continuum-emitting source is of a physical size comparable to the inner broad-line region. Using optical spectra from the Large Binocular Telescope, I estimate the bias of the interband continuum lags due to BLR emission observed in the filters, and I find that the bias for filters with high levels of BLR contamination (˜20%) can be important for the shortest continuum lags. This likely has a significant impact on the u and U bands owing to Balmer continuum emission. I then develop a new procedure for the internal (night-to-night) calibration of time series spectra that can reach precisions of ˜1 millimagnitude and improves traditional techniques by up to a factor of 5. At this level, other systematic issues (e.g., the nightly sensitivity functions and Fe II contamination) limit the final precision of the observed light curves. Using the new calibration method, I next present the data and first results from the optical spectroscopic monitoring component of the reverberation mapping campaign. Five AGN were sufficiently

  16. Hybrid continuum-coarse-grained modeling of erythrocytes

    Science.gov (United States)

    Lyu, Jinming; Chen, Paul G.; Boedec, Gwenn; Leonetti, Marc; Jaeger, Marc

    2018-06-01

    The red blood cell (RBC) membrane is a composite structure, consisting of a phospholipid bilayer and an underlying membrane-associated cytoskeleton. Both continuum and particle-based coarse-grained RBC models make use of a set of vertices connected by edges to represent the RBC membrane, which can be seen as a triangular surface mesh for the former and a spring network for the latter. Here, we present a modeling approach combining an existing continuum vesicle model with a coarse-grained model for the cytoskeleton. Compared to other two-component approaches, our method relies on only one mesh, representing the cytoskeleton, whose velocity in the tangential direction of the membrane may be different from that of the lipid bilayer. The finitely extensible nonlinear elastic (FENE) spring force law in combination with a repulsive force defined as a power function (POW), called FENE-POW, is used to describe the elastic properties of the RBC membrane. The mechanical interaction between the lipid bilayer and the cytoskeleton is explicitly computed and incorporated into the vesicle model. Our model includes the fundamental mechanical properties of the RBC membrane, namely fluidity and bending rigidity of the lipid bilayer, and shear elasticity of the cytoskeleton while maintaining surface-area and volume conservation constraint. We present three simulation examples to demonstrate the effectiveness of this hybrid continuum-coarse-grained model for the study of RBCs in fluid flows.

  17. Statistical thermodynamics

    International Nuclear Information System (INIS)

    Hwang, Jeong Ui; Jang, Jong Jae; Jee, Jong Gi

    1987-01-01

    The contents of this book are thermodynamics on the law of thermodynamics, classical thermodynamics and molecule thermodynamics, basics of molecule thermodynamics, molecule and assembly partition function, molecule partition function, classical molecule partition function, thermodynamics function for ideal assembly in fixed system, thermodynamics function for ideal assembly in running system, Maxwell-Boltzmann's law of distribution, chemical equilibrium like calculation of equilibrium constant and theory of absolute reaction rate.

  18. A software platform for continuum modeling of ion channels based on unstructured mesh

    International Nuclear Information System (INIS)

    Tu, B; Bai, S Y; Xie, Y; Zhang, L B; Lu, B Z; Chen, M X

    2014-01-01

    Most traditional continuum molecular modeling adopted finite difference or finite volume methods which were based on a structured mesh (grid). Unstructured meshes were only occasionally used, but an increased number of applications emerge in molecular simulations. To facilitate the continuum modeling of biomolecular systems based on unstructured meshes, we are developing a software platform with tools which are particularly beneficial to those approaches. This work describes the software system specifically for the simulation of a typical, complex molecular procedure: ion transport through a three-dimensional channel system that consists of a protein and a membrane. The platform contains three parts: a meshing tool chain for ion channel systems, a parallel finite element solver for the Poisson–Nernst–Planck equations describing the electrodiffusion process of ion transport, and a visualization program for continuum molecular modeling. The meshing tool chain in the platform, which consists of a set of mesh generation tools, is able to generate high-quality surface and volume meshes for ion channel systems. The parallel finite element solver in our platform is based on the parallel adaptive finite element package PHG which wass developed by one of the authors [1]. As a featured component of the platform, a new visualization program, VCMM, has specifically been developed for continuum molecular modeling with an emphasis on providing useful facilities for unstructured mesh-based methods and for their output analysis and visualization. VCMM provides a graphic user interface and consists of three modules: a molecular module, a meshing module and a numerical module. A demonstration of the platform is provided with a study of two real proteins, the connexin 26 and hemolysin ion channels. (paper)

  19. Amplification of non-Markovian decay due to bound state absorption into continuum

    International Nuclear Information System (INIS)

    Garmon, S.; Simine, L.; Segal, D.; Petrosky, T.

    2013-01-01

    It is known that quantum systems yield non-exponential (power law) decay on long time scales, associated with continuum threshold effects contributing to the survival probability for a prepared initial state. For an open quantum system consisting of a discrete state coupled to continuum, we study the case in which a discrete bound state of the full Hamiltonian approaches the energy continuum as the system parameters are varied. We find in this case that at least two regions exist yielding qualitatively different power law decay behaviors; we term these the long time 'near zone' and long time 'far zone'. In the near zone the survival probability falls off according to a t -1 power law, and in the far zone i t falls off as t -3 . We show that the timescale T Q separating these two regions is inversely related to the gap between the discrete bound state energy and the continuum threshold. In the case that the bound state is absorbed into the continuum and vanishes, then the time scale T Q diverges and the survival probability follows the t -1 power law even on asymptotic scales. Conversely, one could study the case of an anti-bound state approaching the threshold before being ejected from the continuum to form a bound state. Again the t -1 power law dominates precisely at the point of ejection. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Theoretical Calculation and Validation of the Water Vapor Continuum Absorption

    Science.gov (United States)

    Ma, Qiancheng; Tipping, Richard H.

    1998-01-01

    The primary objective of this investigation is the development of an improved parameterization of the water vapor continuum absorption through the refinement and validation of our existing theoretical formalism. The chief advantage of our approach is the self-consistent, first principles, basis of the formalism which allows us to predict the frequency, temperature and pressure dependence of the continuum absorption as well as provide insights into the physical mechanisms responsible for the continuum absorption. Moreover, our approach is such that the calculated continuum absorption can be easily incorporated into satellite retrieval algorithms and climate models. Accurate determination of the water vapor continuum is essential for the next generation of retrieval algorithms which propose to use the combined constraints of multi-spectral measurements such as those under development for EOS data analysis (e.g., retrieval algorithms based on MODIS and AIRS measurements); current Pathfinder activities which seek to use the combined constraints of infrared and microwave (e.g., HIRS and MSU) measurements to improve temperature and water profile retrievals, and field campaigns which seek to reconcile spectrally-resolved and broad-band measurements such as those obtained as part of FIRE. Current widely used continuum treatments have been shown to produce spectrally dependent errors, with the magnitude of the error dependent on temperature and abundance which produces errors with a seasonal and latitude dependence. Translated into flux, current water vapor continuum parameterizations produce flux errors of order 10 W/ml, which compared to the 4 W/m' magnitude of the greenhouse gas forcing and the 1-2 W/m' estimated aerosol forcing is certainly climatologically significant and unacceptably large. While it is possible to tune the empirical formalisms, the paucity of laboratory measurements, especially at temperatures of interest for atmospheric applications, preclude tuning

  1. Charge transfer to the continuum by heavy ions in atomic hydrogen

    International Nuclear Information System (INIS)

    Sellin, I.A.

    1981-01-01

    Design and installation of an atomic hydrogen target for measurements of charge transfer to the continuum by heavy ions are discussed. The design consists of a tungsten gas cell operated at temperatures of 2500 to 2600 0 K. Initial testing is underway

  2. Continuum shell-model study of 16O and 40Ca

    International Nuclear Information System (INIS)

    Heil, V.; Stock, W.

    1976-06-01

    Continuum shell-model calculations of the E1 and E2 strengths in 16 O and 40 Ca are presented. A consistent microscopic description of both the giant resonances and isospin forbidden E1- transitions between bound states can be achieved through 1) a careful choice of the single-particle potential, 2) the use of a finite-range residual interaction (including the Coulomb particle-hole force), and 3) the removal of spurious states. The results obtained within the separation expansion approximation of Birkholz are in reasonable agreement with measured photonucleon angular distributions and formfactors for electroexcitation. The influence of the continuum on the isospin mixing in bound states is found to be very strong. (orig.) [de

  3. Thermodynamic criteria for estimating the kinetic parameters of catalytic reactions

    Science.gov (United States)

    Mitrichev, I. I.; Zhensa, A. V.; Kol'tsova, E. M.

    2017-01-01

    Kinetic parameters are estimated using two criteria in addition to the traditional criterion that considers the consistency between experimental and modeled conversion data: thermodynamic consistency and the consistency with entropy production (i.e., the absolute rate of the change in entropy due to exchange with the environment is consistent with the rate of entropy production in the steady state). A special procedure is developed and executed on a computer to achieve the thermodynamic consistency of a set of kinetic parameters with respect to both the standard entropy of a reaction and the standard enthalpy of a reaction. A problem of multi-criterion optimization, reduced to a single-criterion problem by summing weighted values of the three criteria listed above, is solved. Using the reaction of NO reduction with CO on a platinum catalyst as an example, it is shown that the set of parameters proposed by D.B. Mantri and P. Aghalayam gives much worse agreement with experimental values than the set obtained on the basis of three criteria: the sum of the squares of deviations for conversion, the thermodynamic consistency, and the consistency with entropy production.

  4. M3FT-15OR0202212: SUBMIT SUMMARY REPORT ON THERMODYNAMIC EXPERIMENT AND MODELING

    Energy Technology Data Exchange (ETDEWEB)

    McMurray, Jake W. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Brese, Robert G. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Silva, Chinthaka M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Besmann, Theodore M. [Univ. of South Carolina, Columbia, SC (United States)

    2015-09-01

    Modeling the behavior of nuclear fuel with a physics-based approach uses thermodynamics for key inputs such as chemical potentials and thermal properties for phase transformation, microstructure evolution, and continuum transport simulations. Many of the lanthanide (Ln) elements and Y are high-yield fission products. The U-Y-O and U-Ln-O ternaries are therefore key subsystems of multi-component high-burnup fuel. These elements dissolve in the dominant urania fluorite phase affecting many of its properties. This work reports on an effort to assess the thermodynamics of the U-Pr-O and U-Y-O systems using the CALPHAD (CALculation of PHase Diagrams) method. The models developed within this framework are capable of being combined and extended to include additional actinides and fission products allowing calculation of the phase equilibria, thermochemical and material properties of multicomponent fuel with burnup.

  5. Comet Halley: An optical continuum study

    International Nuclear Information System (INIS)

    Hoban, S.M.

    1989-01-01

    From an analysis of narrowband CCD images of Comet Halley from 1986 January, March, and April, certain dust structures which are redder than the remainder of the dust coma have become apparent. Mie calculations suggest that this reddening is due to an enhancement of particles with sizes comparable to the observing wavelengths. Although the mass range derived from the calculations presented here is somewhat uncertain as a result of the limitations of Mie theory, these values are in the expected range derived from the calculations presented here is somewhat uncertain as a result of particle sizes which would be both sensitive to radiation pressure and significantly reddened with respect to the solar spectrum at the observing wavelengths. Thus, the red envelopes are plausibly the result of size sorting by solar radiation pressure. The red jets observed on 1986 January 10, March 1 and March 9 can then be explained by the enhanced dust flux at the jet sources, and the subsequent trapping of a relative excess of intermediate mass (i.e. red) particles into the jets which are visible in the continuum images. Analysis of narrowband photometry of the optical continuum of Comet Halley reveals no correlation between the color of the dust and heliocentric distance, phase angle, strength of the continuum or gas-to-dust ratio. The photometric data are thus consistent with a post-ejection sorting mechanism. Chemical inhomogeneities of the nucleus are therefore not necessary to explain the observed structure in the color of the dust in Comet Halley

  6. Thermodynamic theory of black holes

    Energy Technology Data Exchange (ETDEWEB)

    Davies, P C.W. [King' s Coll., London (UK). Dept. of Mathematics

    1977-04-21

    The thermodynamic theory underlying black hole processes is developed in detail and applied to model systems. It is found that Kerr-Newman black holes undergo a phase transition at a = 0.68M or Q = 0.86M, where the heat capacity has an infinite discontinuity. Above the transition values the specific heat is positive, permitting isothermal equilibrium with a surrounding heat bath. Simple processes and stability criteria for various black hole situations are investigated. The limits for entropically favoured black hole formation are found. The Nernst conditions for the third law of thermodynamics are not satisfied fully for black holes. There is no obvious thermodynamic reason why a black hole may not be cooled down below absolute zero and converted into a naked singularity. Quantum energy-momentum tensor calculations for uncharged black holes are extended to the Reissner-Nordstrom case, and found to be fully consistent with the thermodynamic picture for Q < M. For Q < M the model predicts that 'naked' collapse also produces radiation, with such intensity that the collapsing matter is entirely evaporated away before a naked singularity can form.

  7. Notes on continuum mechanics

    CERN Document Server

    Chaves, Eduardo W V

    2013-01-01

    This publication is aimed at students, teachers, and researchers of Continuum Mechanics and focused extensively on stating and developing Initial Boundary Value equations used to solve physical problems. With respect to notation, the tensorial, indicial and Voigt notations have been used indiscriminately.   The book is divided into twelve chapters with the following topics: Tensors, Continuum Kinematics, Stress, The Objectivity of Tensors, The Fundamental Equations of Continuum Mechanics, An Introduction to Constitutive Equations, Linear Elasticity, Hyperelasticity, Plasticity (small and large deformations), Thermoelasticity (small and large deformations), Damage Mechanics (small and large deformations), and An Introduction to Fluids. Moreover, the text is supplemented with over 280 figures, over 100 solved problems, and 130 references.

  8. Extrinsic and intrinsic curvatures in thermodynamic geometry

    Energy Technology Data Exchange (ETDEWEB)

    Hosseini Mansoori, Seyed Ali, E-mail: shossein@bu.edu [Department of Physics, Boston University, 590 Commonwealth Ave., Boston, MA 02215 (United States); Department of Physics, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Mirza, Behrouz, E-mail: b.mirza@cc.iut.ac.ir [Department of Physics, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of); Sharifian, Elham, E-mail: e.sharifian@ph.iut.ac.ir [Department of Physics, Isfahan University of Technology, Isfahan 84156-83111 (Iran, Islamic Republic of)

    2016-08-10

    We investigate the intrinsic and extrinsic curvatures of a certain hypersurface in thermodynamic geometry of a physical system and show that they contain useful thermodynamic information. For an anti-Reissner–Nordström-(A)de Sitter black hole (Phantom), the extrinsic curvature of a constant Q hypersurface has the same sign as the heat capacity around the phase transition points. The intrinsic curvature of the hypersurface can also be divergent at the critical points but has no information about the sign of the heat capacity. Our study explains the consistent relationship holding between the thermodynamic geometry of the KN-AdS black holes and those of the RN (J-zero hypersurface) and Kerr black holes (Q-zero hypersurface) ones [1]. This approach can easily be generalized to an arbitrary thermodynamic system.

  9. Extrinsic and intrinsic curvatures in thermodynamic geometry

    International Nuclear Information System (INIS)

    Hosseini Mansoori, Seyed Ali; Mirza, Behrouz; Sharifian, Elham

    2016-01-01

    We investigate the intrinsic and extrinsic curvatures of a certain hypersurface in thermodynamic geometry of a physical system and show that they contain useful thermodynamic information. For an anti-Reissner–Nordström-(A)de Sitter black hole (Phantom), the extrinsic curvature of a constant Q hypersurface has the same sign as the heat capacity around the phase transition points. The intrinsic curvature of the hypersurface can also be divergent at the critical points but has no information about the sign of the heat capacity. Our study explains the consistent relationship holding between the thermodynamic geometry of the KN-AdS black holes and those of the RN (J-zero hypersurface) and Kerr black holes (Q-zero hypersurface) ones [1]. This approach can easily be generalized to an arbitrary thermodynamic system.

  10. Thermodynamically consistent modeling and simulation of multi-component two-phase flow model with partial miscibility

    KAUST Repository

    Kou, Jisheng

    2016-11-25

    A general diffuse interface model with a realistic equation of state (e.g. Peng-Robinson equation of state) is proposed to describe the multi-component two-phase fluid flow based on the principles of the NVT-based framework which is a latest alternative over the NPT-based framework to model the realistic fluids. The proposed model uses the Helmholtz free energy rather than Gibbs free energy in the NPT-based framework. Different from the classical routines, we combine the first law of thermodynamics and related thermodynamical relations to derive the entropy balance equation, and then we derive a transport equation of the Helmholtz free energy density. Furthermore, by using the second law of thermodynamics, we derive a set of unified equations for both interfaces and bulk phases that can describe the partial miscibility of two fluids. A relation between the pressure gradient and chemical potential gradients is established, and this relation leads to a new formulation of the momentum balance equation, which demonstrates that chemical potential gradients become the primary driving force of fluid motion. Moreover, we prove that the proposed model satisfies the total (free) energy dissipation with time. For numerical simulation of the proposed model, the key difficulties result from the strong nonlinearity of Helmholtz free energy density and tight coupling relations between molar densities and velocity. To resolve these problems, we propose a novel convex-concave splitting of Helmholtz free energy density and deal well with the coupling relations between molar densities and velocity through very careful physical observations with a mathematical rigor. We prove that the proposed numerical scheme can preserve the discrete (free) energy dissipation. Numerical tests are carried out to verify the effectiveness of the proposed method.

  11. A consistent thermodynamics of the MHD wave-heated two-fluid solar wind

    Directory of Open Access Journals (Sweden)

    I. V. Chashei

    Full Text Available We start our considerations from two more recent findings in heliospheric physics: One is the fact that the primary solar wind protons do not cool off adiabatically with distance, but appear to be heated. The other one is that secondary protons, embedded in the solar wind as pick-up ions, behave quasi-isothermal at their motion to the outer heliosphere. These two phenomena must be physically closely connected with each other. To demonstrate this we solve a coupled set of enthalpy flow conservation equations for the two-fluid solar wind system consisting of primary and secondary protons. The coupling of these equations comes by the heat sources that are relevant, namely the dissipation of MHD turbulence power to the respective protons at the relevant dissipation scales. Hereby we consider both the dissipation of convected turbulences and the dissipation of turbulences locally driven by the injection of new pick-up ions into an unstable mode of the ion distribution function. Conversion of free kinetic energy of freshly injected secondary ions into turbulence power is finally followed by partial reabsorption of this energy both by primary and secondary ions. We show solutions of simultaneous integrations of the coupled set of differential thermodynamic two-fluid equations and can draw interesting conclusions from the solutions obtained. We can show that the secondary proton temperature with increasing radial distance asymptotically attains a constant value with a magnitude essentially determined by the actual solar wind velocity. Furthermore, we study the primary proton temperature within this two-fluid context and find a polytropic behaviour with radially and latitudinally variable polytropic indices determined by the local heat sources due to dissipated turbulent wave energy. Considering latitudinally variable solar wind conditions, as published by McComas et al. (2000, we also predict latitudinal variations of primary proton temperatures at

  12. A consistent thermodynamics of the MHD wave-heated two-fluid solar wind

    Directory of Open Access Journals (Sweden)

    I. V. Chashei

    2003-07-01

    Full Text Available We start our considerations from two more recent findings in heliospheric physics: One is the fact that the primary solar wind protons do not cool off adiabatically with distance, but appear to be heated. The other one is that secondary protons, embedded in the solar wind as pick-up ions, behave quasi-isothermal at their motion to the outer heliosphere. These two phenomena must be physically closely connected with each other. To demonstrate this we solve a coupled set of enthalpy flow conservation equations for the two-fluid solar wind system consisting of primary and secondary protons. The coupling of these equations comes by the heat sources that are relevant, namely the dissipation of MHD turbulence power to the respective protons at the relevant dissipation scales. Hereby we consider both the dissipation of convected turbulences and the dissipation of turbulences locally driven by the injection of new pick-up ions into an unstable mode of the ion distribution function. Conversion of free kinetic energy of freshly injected secondary ions into turbulence power is finally followed by partial reabsorption of this energy both by primary and secondary ions. We show solutions of simultaneous integrations of the coupled set of differential thermodynamic two-fluid equations and can draw interesting conclusions from the solutions obtained. We can show that the secondary proton temperature with increasing radial distance asymptotically attains a constant value with a magnitude essentially determined by the actual solar wind velocity. Furthermore, we study the primary proton temperature within this two-fluid context and find a polytropic behaviour with radially and latitudinally variable polytropic indices determined by the local heat sources due to dissipated turbulent wave energy. Considering latitudinally variable solar wind conditions, as published by McComas et al. (2000, we also predict latitudinal variations of primary proton temperatures at

  13. Changing public stigma with continuum beliefs.

    Science.gov (United States)

    Corrigan, Patrick W; Schmidt, Annie; Bink, Andrea B; Nieweglowski, Katherine; Al-Khouja, Maya A; Qin, Sang; Discont, Steve

    2017-10-01

    Given the egregious effect of public stigma on the lives of people with mental illness, researchers have sought to unpack and identify effective components of anti-stigma programs. We expect to show that continuum messages have more positive effect on stigma and affirming attitudes (beliefs that people with mental illness recover and should be personally empowered) than categorical perspectives. The effect of continuum beliefs will interact with contact strategies. A total of 598 research participants were randomly assigned to online presentations representing one of the six conditions: three messages (continuum, categorical, or neutral control) by two processes (education or contact). Participants completed measures of continuum beliefs (as a manipulation check), stigma and affirming attitudes after viewing the condition. Continuum messages had significantly better effect on views that people with mental illness are "different," a finding that interacted with contact. Continuum messages also had better effects on recovery beliefs, once again an effect that interacted significantly with contact. Implications of these findings for improving anti-stigma programs are discussed.

  14. Thermodynamics of perfect fluids from scalar field theory

    CERN Document Server

    Ballesteros, Guillermo; Pilo, Luigi

    2016-01-01

    The low-energy dynamics of relativistic continuous media is given by a shift-symmetric effective theory of four scalar fields. These scalars describe the embedding in spacetime of the medium and play the role of Stuckelberg fields for spontaneously broken spatial and time translations. Perfect fluids are selected imposing a stronger symmetry group or reducing the field content to a single scalar. We explore the relation between the field theory description of perfect fluids to thermodynamics. By drawing the correspondence between the allowed operators at leading order in derivatives and the thermodynamic variables, we find that a complete thermodynamic picture requires the four Stuckelberg fields. We show that thermodynamic stability plus the null energy condition imply dynamical stability. We also argue that a consistent thermodynamic interpretation is not possible if any of the shift symmetries is explicitly broken.

  15. Extension versus Bending for Continuum Robots

    Directory of Open Access Journals (Sweden)

    George Grimes

    2008-11-01

    Full Text Available In this paper, we analyze the capabilities of a novel class of continuous-backbone ("continuum" robots. These robots are inspired by biological "trunks, and tentacles". However, the capabilities of established continuum robot designs, which feature controlled bending but not extension, fall short of those of their biological counterparts. In this paper, we argue that the addition of controlled extension provides dual and complementary functionality, and correspondingly enhanced performance, in continuum robots. We present an interval-based analysis to show how the inclusion of controllable extension significantly enhances the workspace and capabilities of continuum robots.

  16. Thermodynamic properties of sea air

    Directory of Open Access Journals (Sweden)

    R. Feistel

    2010-02-01

    Full Text Available Very accurate thermodynamic potential functions are available for fluid water, ice, seawater and humid air covering wide ranges of temperature and pressure conditions. They permit the consistent computation of all equilibrium properties as, for example, required for coupled atmosphere-ocean models or the analysis of observational or experimental data. With the exception of humid air, these potential functions are already formulated as international standards released by the International Association for the Properties of Water and Steam (IAPWS, and have been adopted in 2009 for oceanography by IOC/UNESCO.

    In this paper, we derive a collection of formulas for important quantities expressed in terms of the thermodynamic potentials, valid for typical phase transitions and composite systems of humid air and water/ice/seawater. Particular attention is given to equilibria between seawater and humid air, referred to as "sea air" here. In a related initiative, these formulas will soon be implemented in a source-code library for easy practical use. The library is primarily aimed at oceanographic applications but will be relevant to air-sea interaction and meteorology as well.

    The formulas provided are valid for any consistent set of suitable thermodynamic potential functions. Here we adopt potential functions from previous publications in which they are constructed from theoretical laws and empirical data; they are briefly summarized in the appendix. The formulas make use of the full accuracy of these thermodynamic potentials, without additional approximations or empirical coefficients. They are expressed in the temperature scale ITS-90 and the 2008 Reference-Composition Salinity Scale.

  17. Thermodynamical stability for a perfect fluid

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Xiongjun; Jing, Jiliang [Hunan Normal University, Department of Physics, Key Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of Education, and Synergetic Innovation Center for Quantum Effects and Applications, Changsha, Hunan (China); He, Xiaokai [Hunan Normal University, Department of Physics, Key Laboratory of Low Dimensional Quantum Structures and Quantum Control of Ministry of Education, and Synergetic Innovation Center for Quantum Effects and Applications, Changsha, Hunan (China); Hunan First Normal University, School of Mathematics and Computational Science, Changsha (China)

    2017-12-15

    According to the maximum entropy principle, it has been proved that the gravitational field equations could be derived by the extrema of the total entropy for a perfect fluid, which implies that thermodynamic relations contain information as regards gravity. In this manuscript, we obtain a criterion for the thermodynamical stability of an adiabatic, self-gravitating perfect fluid system by the second variation of the total entropy. We show, for Einstein's gravity with spherical symmetry spacetime, that the criterion is consistent with that for the dynamical stability derived by Chandrasekhar and Wald. We also find that the criterion could be applied to cases without spherical symmetry, or under general perturbations. The result further establishes the connection between thermodynamics and gravity. (orig.)

  18. Investigating the Thermodynamic Performances of TO-Based Metamaterial Tunable Cells with an Entropy Generation Approach

    Directory of Open Access Journals (Sweden)

    Guoqiang Xu

    2017-10-01

    Full Text Available Active control of heat flux can be realized with transformation optics (TO thermal metamaterials. Recently, a new class of metamaterial tunable cells has been proposed, aiming to significantly reduce the difficulty of fabrication and to flexibly switch functions by employing several cells assembled on related positions following the TO design. However, owing to the integration and rotation of materials in tunable cells, they might lead to extra thermal losses as compared with the previous continuum design. This paper focuses on investigating the thermodynamic properties of tunable cells under related design parameters. The universal expression for the local entropy generation rate in such metamaterial systems is obtained considering the influence of rotation. A series of contrast schemes are established to describe the thermodynamic process and thermal energy distributions from the viewpoint of entropy analysis. Moreover, effects of design parameters on thermal dissipations and system irreversibility are investigated. In conclusion, more thermal dissipations and stronger thermodynamic processes occur in a system with larger conductivity ratios and rotation angles. This paper presents a detailed description of the thermodynamic properties of metamaterial tunable cells and provides reference for selecting appropriate design parameters on related positions to fabricate more efficient and energy-economical switchable TO devices.

  19. PREFACE: Continuum Models and Discrete Systems Symposia (CMDS-12)

    Science.gov (United States)

    Chakrabarti, Bikas K.

    2011-09-01

    of interest were: Thermodynamics, transport theory and statistical mechanics in the context of continuum modeling discrete systems; Statistical mechanics and dynamics of fluid flows; Continuum mechanics of complex fluids and deformable solids with microstructure; Fundamentals of fracture, defect dynamics, fatigue, and fracture dynamics; Statics and dynamics of dislocations, dislocation mediated phase transitions and plasticity; Granular materials: statics and dynamics; Physics and mechanics of earthquakes; Transport in composite materials; and Continuum theory of soft matter systems of biological motivation and living structures. The scientific program consisted of General Lectures and Research Communications. The four General Lectures (40 min + 5 min) introduced the most recent ideas and advances in the fields covered. The 25 Research Communications reported new results and methods in these fields and were presented orally (30 min + 5 min). In addition there were 15 posters which also presented interesting results and five of these posters were selected by a special committee chaired by David J Bergman to contribute to this proceedings. The selected five posters were presented by Moutushi D Choudhury, Morten Grova, Arya Paul, Arnab Saha and Amartya Sarkar. We were happy to note that 32 scientists from ten countries and a large number of students (both from India and other countries) participated in this symposium. The talks and poster sessions generated a lot of discussions, arguments and collaborations. The articles that appear in this proceedings are based on the invited talks and selected poster presentations. We would like to thank the Journal of Physics Conference Series (IOP Publishing) for publishing the proceedings of the conference. We would also like to thank all the contributors to this proceedings for their kind co-operation and the referees for their prompt and active support. A number of invited participants (Amit Acharya, Alexander Altland, Kamal K

  20. Dimensional transitions in thermodynamic properties of ideal Maxwell–Boltzmann gases

    International Nuclear Information System (INIS)

    Aydin, Alhun; Sisman, Altug

    2015-01-01

    An ideal Maxwell–Boltzmann gas confined in various rectangular nanodomains is considered under quantum size effects. Thermodynamic quantities are calculated from their relations with the partition function, which consists of triple infinite summations over momentum states in each direction. To obtain analytical expressions, summations are converted to integrals for macrosystems by a continuum approximation, which fails at the nanoscale. To avoid both the numerical calculation of summations and the failure of their integral approximations at the nanoscale, a method which gives an analytical expression for a single particle partition function (SPPF) is proposed. It is shown that a dimensional transition in momentum space occurs at a certain magnitude of confinement. Therefore, to represent the SPPF by lower-dimensional analytical expressions becomes possible, rather than numerical calculation of summations. Considering rectangular domains with different aspect ratios, a comparison of the results of derived expressions with those of summation forms of the SPPF is made. It is shown that analytical expressions for the SPPF give very precise results with maximum relative errors of around 1%, 2% and 3% at exactly the transition point for single, double and triple transitions, respectively. Based on dimensional transitions, expressions for free energy, entropy, internal energy, chemical potential, heat capacity and pressure are given analytically valid for any scale. (paper)

  1. Series Pneumatic Artificial Muscles (sPAMs) and Application to a Soft Continuum Robot.

    Science.gov (United States)

    Greer, Joseph D; Morimoto, Tania K; Okamura, Allison M; Hawkes, Elliot W

    2017-01-01

    We describe a new series pneumatic artificial muscle (sPAM) and its application as an actuator for a soft continuum robot. The robot consists of three sPAMs arranged radially round a tubular pneumatic backbone. Analogous to tendons, the sPAMs exert a tension force on the robot's pneumatic backbone, causing bending that is approximately constant curvature. Unlike a traditional tendon driven continuum robot, the robot is entirely soft and contains no hard components, making it safer for human interaction. Models of both the sPAM and soft continuum robot kinematics are presented and experimentally verified. We found a mean position accuracy of 5.5 cm for predicting the end-effector position of a 42 cm long robot with the kinematic model. Finally, closed-loop control is demonstrated using an eye-in-hand visual servo control law which provides a simple interface for operation by a human. The soft continuum robot with closed-loop control was found to have a step-response rise time and settling time of less than two seconds.

  2. On the Nature of Off-limb Flare Continuum Sources Detected by SDO /HMI

    Energy Technology Data Exchange (ETDEWEB)

    Heinzel, P.; Kašparová, J. [Astronomical Institute, Czech Academy of Sciences, 25165 Ondřejov (Czech Republic); Kleint, L.; Krucker, S., E-mail: pheinzel@asu.cas.cz [University of Applied Sciences and Arts Northwestern Switzerland, Bahnhofstrasse 6, 5210 Windisch (Switzerland)

    2017-09-20

    The Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory has provided unique observations of off-limb flare emission. White-light continuum enhancements were detected in the “continuum” channel of the Fe 6173 Å line during the impulsive phase of the observed flares. In this paper we aim to determine which radiation mechanism is responsible for such enhancement being seen above the limb, at chromospheric heights around or below 1000 km. Using a simple analytical approach, we compare two candidate mechanisms, the hydrogen recombination continuum (Paschen) and the Thomson continuum due to scattering of disk radiation on flare electrons. Both mechanisms depend on the electron density, which is typically enhanced during the impulsive phase of a flare as the result of collisional ionization (both thermal and also non-thermal due to electron beams). We conclude that for electron densities higher than 10{sup 12} cm{sup −3}, the Paschen recombination continuum significantly dominates the Thomson scattering continuum and there is some contribution from the hydrogen free–free emission. This is further supported by detailed radiation-hydrodynamical (RHD) simulations of the flare chromosphere heated by the electron beams. We use the RHD code FLARIX to compute the temporal evolution of the flare-heating in a semi-circular loop. The synthesized continuum structure above the limb resembles the off-limb flare structures detected by HMI, namely their height above the limb, as well as the radiation intensity. These results are consistent with recent findings related to hydrogen Balmer continuum enhancements, which were clearly detected in disk flares by the IRIS near-ultraviolet spectrometer.

  3. BCS equations in the continuum

    International Nuclear Information System (INIS)

    Sandulescu, N.; Liotta, R. J.; Wyss, R.

    1998-01-01

    with the next shells of an infinite depth potential or with the positive energies provided by a diagonalization of a Woods-Saxon potential in an oscillator basis, even if the positive energies would correspond to the centroids of the resonant states. The influence of the resonant continuum on pairing correlations should be calculated self-consistently with the mean field (HF + BCS) but the gap is not changing very much as expected. (authors)

  4. Matsubara-Fradkin thermodynamical quantization of Podolsky electrodynamics

    International Nuclear Information System (INIS)

    Bonin, C. A.; Pimentel, B. M.

    2011-01-01

    In this work, we apply the Matsubara-Fradkin formalism and the Nakanishi's auxiliary field method to the quantization of the Podolsky electrodynamics in thermodynamic equilibrium. This approach allows us to write consistently the path integral representation for the partition function of gauge theories in a simple manner. Furthermore, we find the Dyson-Schwinger-Fradkin equations and the Ward-Fradkin-Takahashi identities for the Podolsky theory. We also write the most general form for the polarization tensor in thermodynamic equilibrium.

  5. Chemical engineering and thermodynamics using Mat lab

    International Nuclear Information System (INIS)

    Kim Heon; Kim, Moon Gap; Lee, Hak Yeong; Yeo, Yeong Gu; Ham, Seong Won

    2002-02-01

    This book consists of twelve chapters and four appendixes about chemical engineering and thermodynamics using Mat lab, which deals with introduction, energy budget, entropy, thermodynamics process, generalization on any fluid, engineering equation of state for PVT properties, deviation of the function, phase equilibrium of pure fluid, basic of multicomponent, phase equilibrium of compound by state equation, activity model and reaction system. The appendixes is about summary of computer program, related mathematical formula and material property of pure component.

  6. Thermodynamics

    CERN Document Server

    Fermi, Enrico

    1956-01-01

    Indisputably, this is a modern classic of science. Based on a course of lectures delivered by the author at Columbia University, the text is elementary in treatment and remarkable for its clarity and organization. Although it is assumed that the reader is familiar with the fundamental facts of thermometry and calorimetry, no advanced mathematics beyond calculus is assumed.Partial contents: thermodynamic systems, the first law of thermodynamics (application, adiabatic transformations), the second law of thermodynamics (Carnot cycle, absolute thermodynamic temperature, thermal engines), the entr

  7. Continuum emission in the 1980 July 1 solar flare

    International Nuclear Information System (INIS)

    Zirin, H.; Neidig, D.F.

    1981-01-01

    Comparison of continuum measurements of the 1980 July 1 flare at Big Bear Solar Observatory and Sacramento Peak Observatory show strong blue emission kernels with the ratio of Balmer continuum (Bac):lambda3862 continuum:continuum above 4275 A to be about 10:5:1. The blue continuum at 3862 A is too strong to be explained by unresolved lines. The Bac intensity was 2.5 times the photosphere and the strongest lambda3862 continuum was 2 times the photosphere. The brightest continuum kernel occurred late in the flare, after the hard X-ray peak and related in time to an isolated peak in the 2.2 MeV line, suggesting that the continuum was excited by protons above 20 MeV

  8. Black hole thermodynamical entropy

    International Nuclear Information System (INIS)

    Tsallis, Constantino; Cirto, Leonardo J.L.

    2013-01-01

    As early as 1902, Gibbs pointed out that systems whose partition function diverges, e.g. gravitation, lie outside the validity of the Boltzmann-Gibbs (BG) theory. Consistently, since the pioneering Bekenstein-Hawking results, physically meaningful evidence (e.g., the holographic principle) has accumulated that the BG entropy S BG of a (3+1) black hole is proportional to its area L 2 (L being a characteristic linear length), and not to its volume L 3 . Similarly it exists the area law, so named because, for a wide class of strongly quantum-entangled d-dimensional systems, S BG is proportional to lnL if d=1, and to L d-1 if d>1, instead of being proportional to L d (d ≥ 1). These results violate the extensivity of the thermodynamical entropy of a d-dimensional system. This thermodynamical inconsistency disappears if we realize that the thermodynamical entropy of such nonstandard systems is not to be identified with the BG additive entropy but with appropriately generalized nonadditive entropies. Indeed, the celebrated usefulness of the BG entropy is founded on hypothesis such as relatively weak probabilistic correlations (and their connections to ergodicity, which by no means can be assumed as a general rule of nature). Here we introduce a generalized entropy which, for the Schwarzschild black hole and the area law, can solve the thermodynamic puzzle. (orig.)

  9. Renormalization in self-consistent approximation schemes at finite temperature I: theory

    International Nuclear Information System (INIS)

    Hees, H. van; Knoll, J.

    2001-07-01

    Within finite temperature field theory, we show that truncated non-perturbative self-consistent Dyson resummation schemes can be renormalized with local counter-terms defined at the vacuum level. The requirements are that the underlying theory is renormalizable and that the self-consistent scheme follows Baym's Φ-derivable concept. The scheme generates both, the renormalized self-consistent equations of motion and the closed equations for the infinite set of counter terms. At the same time the corresponding 2PI-generating functional and the thermodynamic potential can be renormalized, in consistency with the equations of motion. This guarantees the standard Φ-derivable properties like thermodynamic consistency and exact conservation laws also for the renormalized approximation scheme to hold. The proof uses the techniques of BPHZ-renormalization to cope with the explicit and the hidden overlapping vacuum divergences. (orig.)

  10. The continuum of behavior guidance.

    Science.gov (United States)

    Nelson, Travis

    2013-01-01

    Behavior guidance is a continuum of techniques, basic and advanced, fundamental to the provision of quality dental care for pediatric patients. This practice must be individualized, pairing the correct method of behavior guidance with each child. To select the appropriate technique, the clinician must have a thorough understanding of each aspect of the continuum and anticipate parental expectations, child temperament, and the technical procedures necessary to complete care. By effectively using techniques within the continuum of behavior guidance, a healing relationship with the family is maintained while addressing dental disease and empowering the child to receive dental treatment throughout their lifetime. Copyright © 2013 Elsevier Inc. All rights reserved.

  11. A Tractable Disequilbrium Framework for Integrating Computational Thermodynamics and Geodynamics

    Science.gov (United States)

    Spiegelman, M. W.; Tweed, L. E. L.; Evans, O.; Kelemen, P. B.; Wilson, C. R.

    2017-12-01

    The consistent integration of computational thermodynamics and geodynamics is essential for exploring and understanding a wide range of processes from high-PT magma dynamics in the convecting mantle to low-PT reactive alteration of the brittle crust. Nevertheless, considerable challenges remain for coupling thermodynamics and fluid-solid mechanics within computationally tractable and insightful models. Here we report on a new effort, part of the ENKI project, that provides a roadmap for developing flexible geodynamic models of varying complexity that are thermodynamically consistent with established thermodynamic models. The basic theory is derived from the disequilibrium thermodynamics of De Groot and Mazur (1984), similar to Rudge et. al (2011, GJI), but extends that theory to include more general rheologies, multiple solid (and liquid) phases and explicit chemical reactions to describe interphase exchange. Specifying stoichiometric reactions clearly defines the compositions of reactants and products and allows the affinity of each reaction (A = -Δ/Gr) to be used as a scalar measure of disequilibrium. This approach only requires thermodynamic models to return chemical potentials of all components and phases (as well as thermodynamic quantities for each phase e.g. densities, heat capacity, entropies), but is not constrained to be in thermodynamic equilibrium. Allowing meta-stable phases mitigates some of the computational issues involved with the introduction and exhaustion of phases. Nevertheless, for closed systems, these problems are guaranteed to evolve to the same equilibria predicted by equilibrium thermodynamics. Here we illustrate the behavior of this theory for a range of simple problems (constructed with our open-source model builder TerraFERMA) that model poro-viscous behavior in the well understood Fo-Fa binary phase loop. Other contributions in this session will explore a range of models with more petrologically interesting phase diagrams as well as

  12. A Thermodynamic Theory Of Solid Viscoelasticity. Part 1: Linear Viscoelasticity.

    Science.gov (United States)

    Freed, Alan D.; Leonov, Arkady I.

    2002-01-01

    The present series of three consecutive papers develops a general theory for linear and finite solid viscoelasticity. Because the most important object for nonlinear studies are rubber-like materials, the general approach is specified in a form convenient for solving problems important for many industries that involve rubber-like materials. General linear and nonlinear theories for non-isothermal deformations of viscoelastic solids are developed based on the quasi-linear approach of non-equilibrium thermodynamics. In this, the first paper of the series, we analyze non-isothermal linear viscoelasticity, which is applicable in a range of small strains not only to all synthetic polymers and bio-polymers but also to some non-polymeric materials. Although the linear case seems to be well developed, there still are some reasons to implement a thermodynamic derivation of constitutive equations for solid-like, non-isothermal, linear viscoelasticity. The most important is the thermodynamic modeling of thermo-rheological complexity , i.e. different temperature dependences of relaxation parameters in various parts of relaxation spectrum. A special structure of interaction matrices is established for different physical mechanisms contributed to the normal relaxation modes. This structure seems to be in accord with observations, and creates a simple mathematical framework for both continuum and molecular theories of the thermo-rheological complex relaxation phenomena. Finally, a unified approach is briefly discussed that, in principle, allows combining both the long time (discrete) and short time (continuous) descriptions of relaxation behaviors for polymers in the rubbery and glassy regions.

  13. Performance-based shape optimization of continuum structures

    International Nuclear Information System (INIS)

    Liang Qingquan

    2010-01-01

    This paper presents a performance-based optimization (PBO) method for optimal shape design of continuum structures with stiffness constraints. Performance-based design concepts are incorporated in the shape optimization theory to achieve optimal designs. In the PBO method, the traditional shape optimization problem of minimizing the weight of a continuum structure with displacement or mean compliance constraints is transformed to the problem of maximizing the performance of the structure. The optimal shape of a continuum structure is obtained by gradually eliminating inefficient finite elements from the structure until its performance is maximized. Performance indices are employed to monitor the performance of optimized shapes in an optimization process. Performance-based optimality criteria are incorporated in the PBO method to identify the optimum from the optimization process. The PBO method is used to produce optimal shapes of plane stress continuum structures and plates in bending. Benchmark numerical results are provided to demonstrate the effectiveness of the PBO method for generating the maximum stiffness shape design of continuum structures. It is shown that the PBO method developed overcomes the limitations of traditional shape optimization methods in optimal design of continuum structures. Performance-based optimality criteria presented can be incorporated in any shape and topology optimization methods to obtain optimal designs of continuum structures.

  14. Continuum symmetry restoration in lattice models with staggered fermions

    International Nuclear Information System (INIS)

    Morel, A.

    1986-09-01

    This talk is a report on results obtained by T. Jolicoeur, R. Lacaze, B. Petersson and the author: staggered fermions can be consistently interpreted as flavoured quarks in the continuum limit of asymptotically free theories on the lattice. This statement is supported by analytical results for the Gross-Neveu model at large N and for a QCD two point function, and by a numerical simulation of SU(2) quenched QCD

  15. Thermodynamics and kinetics of vesicles formation processes.

    Science.gov (United States)

    Guida, Vincenzo

    2010-12-15

    Vesicles are hollow aggregates, composed of bilayers of amphiphilic molecules, dispersed into and filled with a liquid solvent. These aggregates can be formed either as equilibrium or as out of equilibrium meta-stable structures and they exhibit a rich variety of different morphologies. The surprising richness of structures, the vast range of industrial applications and the presence of vesicles in a number of biological systems have attracted the interest of numerous researchers and scientists. In this article, we review both the thermodynamics and the kinetics aspects of the phenomena of formation of vesicles. We start presenting the thermodynamics of bilayer membranes formation and deformation, with the aim of deriving the conditions for the existence of equilibrium vesicles. Specifically, we use the results from continuum thermodynamics to discuss the possibility of formation of stable equilibrium vesicles, from both mixed amphiphiles and single component systems. We also link the bilayer membrane properties to the molecular structure of the starting amphiphiles. In the second part of this article, we focus on the dynamics and kinetics of vesiculation. We review the process of vesicles formation both from planar lamellar phase under shear and from isotropic micelles. In order to clarify the physical mechanisms of vesicles formation, we continuously draw a parallel between emulsification and vesiculation processes. Specifically, we compare the experimental results, the driving forces and the relative scaling laws identified for the two processes. Describing the dynamics of vesicles formation, we also discuss why non equilibrium vesicles can be formed by kinetics control and why they are meta-stable. Understanding how to control the properties, the stability and the formation process of vesicles is of fundamental importance for a vast number of industrial applications. Copyright © 2009. Published by Elsevier B.V.

  16. Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement

    OpenAIRE

    Gyftopoulos, Elias P.

    2006-01-01

    Thermodynamic and quantum thermodynamic analyses of Brownian movement of a solvent and a colloid passing through neutral thermodynamic equilibrium states only. It is shown that Brownian motors and E. coli do not represent Brownian movement.

  17. Area Regge calculus and continuum limit

    International Nuclear Information System (INIS)

    Khatsymovsky, V.M.

    2002-01-01

    Encountered in the literature generalisations of general relativity to independent area variables are considered, the discrete (generalised Regge calculus) and continuum ones. The generalised Regge calculus can be either with purely area variables or, as we suggest, with area tensor-connection variables. Just for the latter, in particular, we prove that in analogy with corresponding statement in ordinary Regge calculus (by Feinberg, Friedberg, Lee and Ren), passing to the (appropriately defined) continuum limit yields the generalised continuum area tensor-connection general relativity

  18. Thermodynamic reassessment of the neodymium–gold binary system

    Energy Technology Data Exchange (ETDEWEB)

    Moustaine, D., E-mail: mostainedris@gmail.com; Mahdouk, K.

    2016-07-15

    Phase relationships in Nd–Au binary system have been thermodynamically assessed by means of the CALPHAD technique through Thermo–Calc software package based on the experiment information of phase equilibria and thermodynamic properties from the published literature data. The excess Gibbs energy functions of the solution phases including liquid, fcc-A1, bcc-A2, and dhcp were formulated with Redlich–Kister polynomial functions. The two–sublattice energy model was employed to describe the Nd{sub 14}Au{sub 51} phase which exhibits a homogeneity range. The intermetallic compounds Nd{sub 2}Au, NdAu, Nd{sub 3}Au{sub 4}, Nd{sub 17}Au{sub 36}, and NdAu{sub 6} were treated as stoichiometric phases. A set of self-consistent thermodynamic parameters formulating the Gibbs energy of various phases in the Nd–Au binary system were then obtained. A much better agreement was achieved between the calculated results and the reported experimental data. - Highlights: • The Nd–Au has been re-assessed using the latest experimental results. • The intermetallic compound Nd{sub 14}Au{sub 51} was treated by a two–sublattice model. • The errors of related modelling presented in previous articles have been modified. • A self–consistent thermodynamic description of the Nd–Au system was obtained.

  19. Thermodynamic volume and the extended Smarr relation

    Energy Technology Data Exchange (ETDEWEB)

    Hyun, Seungjoon; Jeong, Jaehoon; Park, Sang-A; Yi, Sang-Heon [Department of Physics, College of Science, Yonsei University,Seoul 120-749 (Korea, Republic of)

    2017-04-10

    We continue to explore the scaling transformation in the reduced action formalism of gravity models. As an extension of our construction, we consider the extended forms of the Smarr relation for various black holes, adopting the cosmological constant as the bulk pressure as in some literatures on black holes. Firstly, by using the quasi-local formalism for charges, we show that, in a general theory of gravity, the volume in the black hole thermodynamics could be defined as the thermodynamic conjugate variable to the bulk pressure in such a way that the first law can be extended consistently. This, so called, thermodynamic volume can be expressed explicitly in terms of the metric and field variables. Then, by using the scaling transformation allowed in the reduced action formulation, we obtain the extended Smarr relation involving the bulk pressure and the thermodynamic volume. In our approach, we do not resort to Euler’s homogeneous scaling of charges while incorporating the would-be hairy contribution without any difficulty.

  20. Basic Thermodynamics

    International Nuclear Information System (INIS)

    Duthil, P

    2014-01-01

    The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered

  1. Basic Thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Duthil, P [Orsay, IPN (France)

    2014-07-01

    The goal of this paper is to present a general thermodynamic basis that is useable in the context of superconductivity and particle accelerators. The first part recalls the purpose of thermodynamics and summarizes its important concepts. Some applications, from cryogenics to magnetic systems, are covered. In the context of basic thermodynamics, only thermodynamic equilibrium is considered.

  2. Experimental thermodynamics experimental thermodynamics of non-reacting fluids

    CERN Document Server

    Neindre, B Le

    2013-01-01

    Experimental Thermodynamics, Volume II: Experimental Thermodynamics of Non-reacting Fluids focuses on experimental methods and procedures in the study of thermophysical properties of fluids. The selection first offers information on methods used in measuring thermodynamic properties and tests, including physical quantities and symbols for physical quantities, thermodynamic definitions, and definition of activities and related quantities. The text also describes reference materials for thermometric fixed points, temperature measurement under pressures, and pressure measurements. The publicatio

  3. Continuum contribution to excitonic four-wave mixing due to interaction-induced nonlinearities

    DEFF Research Database (Denmark)

    Birkedal, Dan; Vadim, Lyssenko; Hvam, Jørn Märcher

    1996-01-01

    We present an experimental and theoretical investigation of ultrafast transient four-wave mixing of GaAs/AlxGa1-xAs quantum wells for coherent excitation of exciton and continuum states. The signal appears at the exciton resonance and is shown to consist of two contributions: an intense spectrall...

  4. Nebular Continuum and Line Emission in Stellar Population Synthesis Models

    Energy Technology Data Exchange (ETDEWEB)

    Byler, Nell; Dalcanton, Julianne J. [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States); Conroy, Charlie; Johnson, Benjamin D., E-mail: ebyler@astro.washington.edu [Department of Astronomy, Harvard University, Cambridge, MA 02138 (United States)

    2017-05-01

    Accounting for nebular emission when modeling galaxy spectral energy distributions (SEDs) is important, as both line and continuum emissions can contribute significantly to the total observed flux. In this work, we present a new nebular emission model integrated within the Flexible Stellar Population Synthesis code that computes the line and continuum emission for complex stellar populations using the photoionization code Cloudy. The self-consistent coupling of the nebular emission to the matched ionizing spectrum produces emission line intensities that correctly scale with the stellar population as a function of age and metallicity. This more complete model of galaxy SEDs will improve estimates of global gas properties derived with diagnostic diagrams, star formation rates based on H α , and physical properties derived from broadband photometry. Our models agree well with results from other photoionization models and are able to reproduce observed emission from H ii regions and star-forming galaxies. Our models show improved agreement with the observed H ii regions in the Ne iii/O ii plane and show satisfactory agreement with He ii emission from z = 2 galaxies, when including rotating stellar models. Models including post-asymptotic giant branch stars are able to reproduce line ratios consistent with low-ionization emission regions. The models are integrated into current versions of FSPS and include self-consistent nebular emission predictions for MIST and Padova+Geneva evolutionary tracks.

  5. Zero-mode effects in the lattice thermodynamics of massless bose field

    International Nuclear Information System (INIS)

    Gorenstein, M.I.; Lipskikh, S.I.; Sorin, A.S.

    1985-01-01

    The thermodynamics of free massless Bose field on a lattice is discussed. The coefficients characterizing the finite size effects are obtained. The use of these coefficients in the Yang-Mills thermodynamics allows one to make Monte-Carlo calculations, carried out on the different size lattices, self-consistent

  6. First law of thermodynamics on holographic screens in entropic force frame

    International Nuclear Information System (INIS)

    Chen Yixin; Li Jianlong

    2011-01-01

    Imposing a mathematical definition of holographic screen, in the spirit of Verlinde's entropic force proposal (E.P. Verlinde, (arXiv:1001.0785)), we give the differential and integral form of the first law of thermodynamics on the holographic screen enclosing a spherical symmetric black hole. It is consistent with equipartition principle and the form of Komar mass. There are also other version of first law, which are equivalent up to a Legendre transformation. The holographic screen thermodynamics is defined in a quasi-local form, which is the main difference to black hole thermodynamics. Thus, the physical interpretation of holographic screen thermodynamics might be different from black hole thermodynamics. We argue that the entropy of the holographic screen determines its area, i.e. S=A/4 . And the metric can be expressed by thermodynamics variables, which is an illustration of how the space is foliated by the thermodynamical potentials.

  7. Adaptive spacetime method using Riemann jump conditions for coupled atomistic-continuum dynamics

    International Nuclear Information System (INIS)

    Kraczek, B.; Miller, S.T.; Haber, R.B.; Johnson, D.D.

    2010-01-01

    We combine the Spacetime Discontinuous Galerkin (SDG) method for elastodynamics with the mathematically consistent Atomistic Discontinuous Galerkin (ADG) method in a new scheme that concurrently couples continuum and atomistic models of dynamic response in solids. The formulation couples non-overlapping continuum and atomistic models across sharp interfaces by weakly enforcing jump conditions, for both momentum balance and kinematic compatibility, using Riemann values to preserve the characteristic structure of the underlying hyperbolic system. Momentum balances to within machine-precision accuracy over every element, on each atom, and over the coupled system, with small, controllable energy dissipation in the continuum region that ensures numerical stability. When implemented on suitable unstructured spacetime grids, the continuum SDG model offers linear computational complexity in the number of elements and powerful adaptive analysis capabilities that readily bridge between atomic and continuum scales in both space and time. A special trace operator for the atomic velocities and an associated atomistic traction field enter the jump conditions at the coupling interface. The trace operator depends on parameters that specify, at the scale of the atomic spacing, the position of the coupling interface relative to the atoms. In a key finding, we demonstrate that optimizing these parameters suppresses spurious reflections at the coupling interface without the use of non-physical damping or special boundary conditions. We formulate the implicit SDG-ADG coupling scheme in up to three spatial dimensions, and describe an efficient iterative solution scheme that outperforms common explicit schemes, such as the Velocity Verlet integrator. Numerical examples, in 1dxtime and employing both linear and nonlinear potentials, demonstrate the performance of the SDG-ADG method and show how adaptive spacetime meshing reconciles disparate time steps and resolves atomic-scale signals in

  8. Thermodynamics and structure of liquid alkali metals from the charged-hard-sphere reference fluid

    International Nuclear Information System (INIS)

    Lai, S.K.; Akinlade, O.; Tosi, M.P.

    1989-12-01

    The evaluation of thermodynamic properties of liquid alkali metals is re-examined in the approach based on the Gibbs-Bogoliubov inequality and using the fluid of charged hard spheres in the mean spherical approximation as reference system, with a view to achieving consistency with the liquid structure factor. The perturbative variational calculation of the Helmholtz free energy is based on an ab initio and highly reliable nonlocal pseudopotential. Only limited improvement is found in the calculated thermodynamic functions, even when full advantage is taken of the two variational parameters inherent in this approach. The role of thermodynamic self-consistency between the equations of state of the reference fluid derived from the routes of the internal energy and of the virial theorem is then discussed, using previous results by Hoye and Stell. An approximate evaluation of the corresponding contribution to the free energy of liquid alkali metals yields appreciable improvements in both the thermodynamic functions and the liquid structure factor. It thus appears that an accurate treatment of thermodynamic self-consistency in the charged-hard-sphere system may help to resolve some of the difficulties that are commonly met in the evaluation of thermodynamic and structural properties of liquid metals. (author). 55 refs, 4 figs, 4 tabs

  9. Continuum of eLearning: 2012 Project Summary Report

    Science.gov (United States)

    2012-10-01

    multimedia, and Continuum of eLearning | Purpose and Vision 19 << UNCLASSIFIED>> (limited) situated learning. Future versions of the CoL self-paced...Continuum of eLearning : 2012 Project Summary Report Continuum of eLearning The Next Evolution of Joint Training on JKO October 2012 Joint...Technical Report November 2011 – August 2012 Continuum of eLearning : 2012 Project Summary Report N00140-06-D-0060 David T. Fautua, Sae Schatz, Andrea

  10. Continuum spectra in light-ion reactions

    Energy Technology Data Exchange (ETDEWEB)

    Tamura, T.; Udagawa, T. [Texas Univ., Austin (USA). Dept. of Physics; Ikegami, H.; Muraoka, M [eds.

    1980-01-01

    Recent developments in the use of multi-step direct reaction method, to fit continuum cross sections of light-ion reactions, are reviewed. There has been a long-standing difficulty in reproducing sufficiently large (p, p') continuum cross section, but it has now been all but removed. It will be discussed in some detail, how this was achieved. Analyses of very recent data on analyzing powers in the continuum of (p, p') and (p, ..cap alpha..) reactions will also be discussed. Finally, analysis of the breakup of h into d and p will be presented.

  11. Entropy, related thermodynamic properties, and structure of methylisocyanate

    International Nuclear Information System (INIS)

    Davis, Phil S.; Kilpatrick, John E.

    2013-01-01

    Highlights: ► The thermodynamic properties of methylisocyanate have been determined by isothermal calorimetry from 15 to 298.15 K. ► The third law entropy has been compared with the entropy calculated by statistical thermodynamics. ► The comparisons are consistent with selected proposed molecular structures and vibrational frequencies. -- Abstract: The entropy and related thermodynamic properties of methylisocyanate, CH 3 NCO, have been determined by isothermal calorimetry. The entropy in the ideal gas state at 298.15 K and 1 atmosphere is S m o = 284.3 ± 0.6 J/K · mol. Other thermodynamic properties determined include: the heat capacity from 15 to 300 K, the temperature of fusion (T fus = 178.461 ± 0.024 K), the enthalpy of fusion (ΔH fus = 7455.2 ± 14.0 J/mol), the enthalpy of vaporization at 298.15 K (ΔH vap = 28768 ± 54 J/mol), and the vapor pressure from fusion to 300 K. Using statistical thermodynamics, the entropy in this same state has been calculated for various assumed structures for methylisocyante which have been proposed based on several spectroscopic and ab initio results. Comparisons between the experimental and calculated entropy have led to the following conclusions concerning historical differences among problematic structural properties: (1) The CNC/CNO angles can have the paired values of 140/180° or 135/173° respectively. It is not possible to distinguish between the two by this thermodynamic analysis. (2) The methyl group functions as a free rotor or near free rotor against the NCO rigid frame. The barrier to internal rotation is less than 2100 J/mol. (3) The CNC vibrational bending frequency is consistent with the more recently observed assignments at 165 and 172 cm −1 with some degree of anharmonicity or with a pure harmonic at about 158 cm −1

  12. Giant resonances in the deformed continuum

    International Nuclear Information System (INIS)

    Nakatsukasa, T.; Yabana, K.

    2004-01-01

    Giant resonances in the continuum for deformed nuclei are studied with the time-dependent Hartree-Fock (TDHF) theory in real time and real space. The continuum effect is effectively taken into account by introducing a complex Absorbing Boundary Condition (ABC). (orig.)

  13. Fundamentals of continuum mechanics

    CERN Document Server

    Rudnicki, John W

    2014-01-01

    A concise introductory course text on continuum mechanics Fundamentals of Continuum Mechanics focuses on the fundamentals of the subject and provides the background for formulation of numerical methods for large deformations and a wide range of material behaviours. It aims to provide the foundations for further study, not just of these subjects, but also the formulations for much more complex material behaviour and their implementation computationally.  This book is divided into 5 parts, covering mathematical preliminaries, stress, motion and deformation, balance of mass, momentum and energ

  14. Introduction to continuum mechanics

    CERN Document Server

    Lai, W Michael; Rubin, David

    1996-01-01

    Introduction to Continuum Mechanics is a recently updated and revised text which is perfect for either introductory courses in an undergraduate engineering curriculum or for a beginning graduate course.Continuum Mechanics studies the response of materials to different loading conditions. The concept of tensors is introduced through the idea of linear transformation in a self-contained chapter, and the interrelation of direct notation, indicial notation, and matrix operations is clearly presented. A wide range of idealized materials are considered through simple static and dynamic problems, a

  15. Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

    Science.gov (United States)

    Parker, Barry R.; McLeod, Robert J.

    1980-01-01

    An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)

  16. Quantum Thermodynamics at Strong Coupling: Operator Thermodynamic Functions and Relations

    Directory of Open Access Journals (Sweden)

    Jen-Tsung Hsiang

    2018-05-01

    Full Text Available Identifying or constructing a fine-grained microscopic theory that will emerge under specific conditions to a known macroscopic theory is always a formidable challenge. Thermodynamics is perhaps one of the most powerful theories and best understood examples of emergence in physical sciences, which can be used for understanding the characteristics and mechanisms of emergent processes, both in terms of emergent structures and the emergent laws governing the effective or collective variables. Viewing quantum mechanics as an emergent theory requires a better understanding of all this. In this work we aim at a very modest goal, not quantum mechanics as thermodynamics, not yet, but the thermodynamics of quantum systems, or quantum thermodynamics. We will show why even with this minimal demand, there are many new issues which need be addressed and new rules formulated. The thermodynamics of small quantum many-body systems strongly coupled to a heat bath at low temperatures with non-Markovian behavior contains elements, such as quantum coherence, correlations, entanglement and fluctuations, that are not well recognized in traditional thermodynamics, built on large systems vanishingly weakly coupled to a non-dynamical reservoir. For quantum thermodynamics at strong coupling, one needs to reexamine the meaning of the thermodynamic functions, the viability of the thermodynamic relations and the validity of the thermodynamic laws anew. After a brief motivation, this paper starts with a short overview of the quantum formulation based on Gelin & Thoss and Seifert. We then provide a quantum formulation of Jarzynski’s two representations. We show how to construct the operator thermodynamic potentials, the expectation values of which provide the familiar thermodynamic variables. Constructing the operator thermodynamic functions and verifying or modifying their relations is a necessary first step in the establishment of a viable thermodynamics theory for

  17. The shadow continuum : testing the records continuum model through the Djogdja Documenten and the migrated archives

    NARCIS (Netherlands)

    Karabinos, Michael Joseph

    2015-01-01

    This dissertation tests the universal suitability of the records continuum model by using two cases from the decolonization of Southeast Asia. The continuum model is a new model of records visualization invented in the 1990s that sees records as free to move throughout four ‘dimensions’ rather than

  18. Continuum radiation emitted from transition metals under ion bombardment

    International Nuclear Information System (INIS)

    El Boujlaidi, A.; Kaddouri, A.; Ait El Fqih, M.; Hammoum, K.; Aouchiche, H.

    2012-01-01

    Optical emission of transition metals has been studied during 5 keV Kr + ions bombardment within and without oxygen atmosphere in the colliding chamber. The observed spectra consist of a series of discrete lines superimposed on a broad continuum. Generally, the emission intensity was influenced by the presence of oxygen giving rise to transient effects as well as to an increase in the line intensity. The behaviours of spectral lines were successfully explained in term of electron-transfer process between the excited sputtered atom and the solid surface. In this work, we have focused our study on the continuous radiation emitted during ion bombardment. The experimental results suggest that the continuum emission depends on the nature of metal and very probably related to its electronic structure. The collective deactivation of 3d-shell electrons appears to play a role in the emission of this radiation. The observed enhancement in the presence of oxygen is probably due to a significant contribution of the oxide molecules. (authors)

  19. Global spiral structure of M81 - radio continuum maps

    International Nuclear Information System (INIS)

    Bash, F.N.; Kaufman, M.; Ohio State Univ., Columbus)

    1986-01-01

    VLA observations of the radio continuum emission from M81 at 6 and 20 cm are presented and used to check the predictions of density-wave theories. Both thermal and nonthermal radiation from the spiral arms are detected. Most of the bright knots along the radio arms are giant radio H II regions. The nonthermal emission defines spiral arms that are patchy and well-resolved, with a width of 1-2 kpc. The observed nonthermal arms are too broad to agree with the continuum gasdynamical calculations of Roberts (1969), Shu et al. (1972), and Visser (1978, 1980) for a classical density wave model. The observed arm widths appear consistent with the predictions of density-wave models that emphasize the clumpy nature of the ISM. The 20 cm arms appear to spiral outward from a faint inner H I ring, suggesting that the ring is produced by the inner Lindblad resonance. 36 references

  20. Water vapor self-continuum absorption measurements in the 4.0 and 2.1 μm transparency windows

    Science.gov (United States)

    Richard, L.; Vasilchenko, S.; Mondelain, D.; Ventrillard, I.; Romanini, D.; Campargue, A.

    2017-11-01

    In a recent contribution [A. Campargue, S. Kassi, D. Mondelain, S. Vasilchenko, D. Romanini, Accurate laboratory determination of the near infrared water vapor self-continuum: A test of the MT_CKD model. J. Geophys. Res. Atmos., 121,13,180-13,203, doi:10.1002/2016JD025531], we reported accurate water vapor absorption continuum measurements by Cavity Ring-down Spectroscopy (CRDS) and Optical-Feedback-Cavity Enhanced Absorption Spectroscopy (OF-CEAS) at selected spectral points of 4 near infrared transparency windows. In the present work, the self-continuum cross-sections, CS, are determined for two new spectral points. The 2491 cm-1 spectral point in the region of maximum transparency of the 4.0 μm window was measured by OF-CEAS in the 23-52 °C temperature range. The 4435 cm-1 spectral point of the 2.1 μm window was measured by CRDS at room temperature. The self-continuum cross-sections were determined from the pressure squared dependence of the continuum absorption. Comparison to the literature shows a reasonable agreement with 1970 s and 1980 s measurements using a grating spectrograph in the 4.0 μm window and a very good consistency with our previous laser measurements in the 2.1 μm window. For both studied spectral points, our values are much smaller than previous room temperature measurements by Fourier Transform Spectroscopy. Significant deviations (up to about a factor 4) are noted compared to the widely used semi empirical MT_CKD model of the absorption continuum. The measured temperature dependence at 2491 cm-1 is consistent with previous high temperature measurements in the 4.0 μm window and follows an exp(D0/kT) law, D0 being the dissociation energy of the water dimer.

  1. Thermodynamic and transport properties of sodium liquid and vapor

    International Nuclear Information System (INIS)

    Fink, J.K.; Leibowitz, L.

    1995-01-01

    Data have been reviewed to obtain thermodynamically consistent equations for thermodynamic and transport properties of saturated sodium liquid and vapor. Recently published Russian recommendations and results of equation of state calculations on thermophysical properties of sodium have been included in this critical assessment. Thermodynamic properties of sodium liquid and vapor that have been assessed include: enthalpy, heat capacity at constant pressure, heat capacity at constant volume, vapor pressure, boiling point, enthalpy of vaporization, density, thermal expansion, adiabatic and isothermal compressibility, speed of sound, critical parameters, and surface tension. Transport properties of liquid sodium that have been assessed include: viscosity and thermal conductivity. For each property, recommended values and their uncertainties are graphed and tabulated as functions of temperature. Detailed discussions of the analyses and determinations of the recommended equations include comparisons with recommendations given in other assessments and explanations of consistency requirements. The rationale and methods used in determining the uncertainties in the recommended values are also discussed

  2. The thermodynamic assessment of the Au–In–Ga system

    Energy Technology Data Exchange (ETDEWEB)

    Ghasemi, M., E-mail: masoomeh.ghasemi@ftf.lth.se [Solid State Physics, Lund University, Box 118, SE-22100 Lund (Sweden); Sundman, B., E-mail: bo.sundman@gmail.com [INSTN-CEA Saclay, 91191 Gif sur Yvette (France); Fries, S.G., E-mail: suzana.g.fries@ruhr-uni-bochum.de [ICAMS, Interdisciplinary Centre for Advanced Materials Simulation, Ruhr Universitaet Bochum 44801, Bochum (Germany); Johansson, J., E-mail: jonas.johansson@ftf.lth.se [Solid State Physics, Lund University, Box 118, SE-22100 Lund (Sweden)

    2014-07-05

    Highlights: • The first thermodynamic assessment of the Au–In–Ga system has been presented. • Based on recent experimental results, a self-consistent database has been obtained. • A diagram of monovariant lines was calculated and invariant reactions were defined. • An isothermal section at 280 °C and two isoplethal sections were calculated. • Good agreement between the calculations and experimental results was achieved. - Abstract: The Au–In–Ga ternary phase diagram is of importance for understanding the involved thermodynamic processes during the growth of Au-seeded III–V heterostructure nanowires containing In and Ga (e.g. Au-seeded InAs/GaAs nanowires). In this work the Au–In–Ga system has been thermodynamically modeled using the CALPHAD technique based on a recent experimental investigation of the phase equilibria in the system. As a result, a set of self-consistent interaction parameters have been optimized that can reproduce most of the experimental results.

  3. Elementary Continuum Mechanics for Everyone - and Some More

    DEFF Research Database (Denmark)

    Byskov, Esben

    Quite trivially, Continuum mechanics per se deals with the description of deformations of three-dimensional continua i.e. models whose properties are independent of scale in that the continuum does not possess a structure. Thus, continuum mechanics does not try to model the atomic structure...

  4. Elementary Continuum Mechanics for Everyone - And Some More

    DEFF Research Database (Denmark)

    Byskov, Esben

    Quite trivially, Continuum mechanics per se deals with the description of deformations of three-dimensional continua i.e. models whose properties are independent of scale in that the continuum does not possess a structure. Thus, continuum mechanics does not try to model the atomic structure...

  5. Thermodynamic properties for arsenic minerals and aqueous species

    Science.gov (United States)

    Nordstrom, D. Kirk; Majzlan, Juraj; Königsberger, Erich; Bowell, Robert J.; Alpers, Charles N.; Jamieson, Heather E.; Nordstrom, D. Kirk; Majzlan, Juraj

    2014-01-01

    Quantitative geochemical calculations are not possible without thermodynamic databases and considerable advances in the quantity and quality of these databases have been made since the early days of Lewis and Randall (1923), Latimer (1952), and Rossini et al. (1952). Oelkers et al. (2009) wrote, “The creation of thermodynamic databases may be one of the greatest advances in the field of geochemistry of the last century.” Thermodynamic data have been used for basic research needs and for a countless variety of applications in hazardous waste management and policy making (Zhu and Anderson 2002; Nordstrom and Archer 2003; Bethke 2008; Oelkers and Schott 2009). The challenge today is to evaluate thermodynamic data for internal consistency, to reach a better consensus of the most reliable properties, to determine the degree of certainty needed for geochemical modeling, and to agree on priorities for further measurements and evaluations.

  6. Modeling thermodynamic distance, curvature and fluctuations a geometric approach

    CERN Document Server

    Badescu, Viorel

    2016-01-01

    This textbook aims to briefly outline the main directions in which the geometrization of thermodynamics has been developed in the last decades. The textbook is accessible to people trained in thermal sciences but not necessarily with solid formation in mathematics. For this, in the first chapters a summary of the main mathematical concepts is made. In some sense, this makes the textbook self-consistent. The rest of the textbook consists of a collection of results previously obtained in this young branch of thermodynamics. The manner of presentation used throughout the textbook is adapted for ease of access of readers with education in natural and technical sciences.

  7. OBSERVATIONAL STUDY OF THE CONTINUUM AND WATER MASER EMISSION IN THE IRAS 19217+1651 REGION

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Esnard, T.; Trinidad, M. A. [Departamento de Astronomia, Universidad de Guanajuato, Apdo Postal 144, Guanajuato, GTO, Mexico CP 36000 (Mexico); Migenes, V., E-mail: tatiana@iga.cu, E-mail: trinidad@astro.ugto.mx, E-mail: vmigenes@byu.edu [Department of Physics and Astronomy, Brigham Young University, ESC-N145, Provo, UT 84602 (United States)

    2012-12-20

    We report interferometric observations of the high-mass star-forming region IRAS 19217+1651. We observed the radio continuum (1.3 cm and 3.6 cm) and water maser emission using the Very Large Array (VLA-EVLA) in transition mode (configuration A). Two radio continuum sources were detected at both wavelengths, I19217-A and I19217-B. In addition, 17 maser spots were observed distributed mainly in two groups, M1 and M2, and one isolated maser. This latter could be indicating the relative position of another continuum source which we did not detect. The results indicate that I19217-A appears to be consistent with an ultracompact H II region associated with a zero-age main-sequence B0-type star. Furthermore, the 1.3 cm continuum emission of this source suggests a cometary morphology. In addition, I19217-B appears to be an H II region consisting of at least two stars, which may be contributing to its complex structure. It was also found that the H{sub 2}O masers of the group M1 are apparently associated with the continuum source I19217-A. These are tracing motions which are not gravitationally bound according to their spatial distribution and kinematics. They also seem to be describing outflows in the direction of the elongated cometary region. On the other hand, the second maser group, M2, could be tracing the base of a jet. Finally, infrared data from Spitzer, Midcourse Space Experiment, and IRIS show that IRAS 19217+1651 is embedded inside a large open bubble, like a broken ring, which possibly has affected the morphology of the cometary H II region observed at 1.3 cm.

  8. Continuum capture in the three-body problem

    International Nuclear Information System (INIS)

    Sellin, I.A.

    1980-01-01

    The three-body problem, especially the problem of electron capture to the continuum in heavy particle collisions is reviewed. Major topics covered include: second born-induced asymmetry in electron capture to the continuum; historical context, links to other tests of atomic scattering theory; experiments characterizing the velocity distribution of ECC electrons; other atomic physics tests of high velocity Born expansions; atom capture; capture by positrons; and pion capture to the continuum

  9. Universal relation for size dependent thermodynamic properties of metallic nanoparticles.

    Science.gov (United States)

    Xiong, Shiyun; Qi, Weihong; Cheng, Yajuan; Huang, Baiyun; Wang, Mingpu; Li, Yejun

    2011-06-14

    The previous model on surface free energy has been extended to calculate size dependent thermodynamic properties (i.e., melting temperature, melting enthalpy, melting entropy, evaporation temperature, Curie temperature, Debye temperature and specific heat capacity) of nanoparticles. According to the quantitative calculation of size effects on the calculated thermodynamic properties, it is found that most thermodynamic properties of nanoparticles vary linearly with 1/D as a first approximation. In other words, the size dependent thermodynamic properties P(n) have the form of P(n) = P(b)(1 -K/D), in which P(b) is the corresponding bulk value and K is the material constant. This may be regarded as a scaling law for most of the size dependent thermodynamic properties for different materials. The present predictions are consistent literature values. This journal is © the Owner Societies 2011

  10. Thermodynamic theory of dislocation-enabled plasticity

    International Nuclear Information System (INIS)

    Langer, J. S.

    2017-01-01

    The thermodynamic theory of dislocation-enabled plasticity is based on two unconventional hypotheses. The first of these is that a system of dislocations, driven by external forces and irreversibly exchanging heat with its environment, must be characterized by a thermodynamically defined effective temperature that is not the same as the ordinary temperature. The second hypothesis is that the overwhelmingly dominant mechanism controlling plastic deformation is thermally activated depinning of entangled pairs of dislocations. This paper consists of a systematic reformulation of this theory followed by examples of its use in analyses of experimentally observed phenomena including strain hardening, grain-size (Hall-Petch) effects, yielding transitions, and adiabatic shear banding.

  11. Computational Continuum Mechanics

    CERN Document Server

    Shabana, Ahmed A

    2011-01-01

    This text presents the theory of continuum mechanics using computational methods. Ideal for students and researchers, the second edition features a new chapter on computational geometry and finite element analysis.

  12. Magnetomechanical characterization and unified energy model for the quasistatic behavior of ferromagnetic shape memory Ni–Mn–Ga

    International Nuclear Information System (INIS)

    Sarawate, Neelesh N; Dapino, Marcelo J

    2010-01-01

    This paper presents an overview of the characterization and modeling of single crystal ferromagnetic shape memory Ni–Mn–Ga. A continuum thermodynamics model is presented which describes the magnetomechanical characterization of single crystal Ni–Mn–Ga for the following behavior: (i) sensing effect; (ii) actuation effect; (iii) blocked force (stress generation). The thermodynamic potentials, namely the magnetic Gibbs energy and the Gibbs energy, are obtained from the Helmholtz energy in order to arrive at the set of required independent and dependent variables; the potentials include magnetic energy consisting of Zeeman, magnetostatic and anisotropy components, and mechanical energy consisting of elastic and twinning components. Mechanical dissipation and the microstructure of Ni–Mn–Ga are incorporated in the continuum model through the internal state variables volume fraction, domain fraction, and magnetization rotation angle. The constitutive response of the material is obtained by restricting the process through the second law of thermodynamics. The model requires only seven parameters identified from two simple experiments. Several interesting characteristics of Ni–Mn–Ga are examined in concert with the magnetomechanical characterization

  13. Singular limits in thermodynamics of viscous fluids

    CERN Document Server

    Feireisl, Eduard

    2017-01-01

    This book is about singular limits of systems of partial differential equations governing the motion of thermally conducting compressible viscous fluids. "The main aim is to provide mathematically rigorous arguments how to get from the compressible Navier-Stokes-Fourier system several less complex systems of partial differential equations used e.g. in meteorology or astrophysics. However, the book contains also a detailed introduction to the modelling in mechanics and thermodynamics of fluids from the viewpoint of continuum physics. The book is very interesting and important. It can be recommended not only to specialists in the field, but it can also be used for doctoral students and young researches who want to start to work in the mathematical theory of compressible fluids and their asymptotic limits." Milan Pokorný (zbMATH) "This book is of the highest quality from every point of view. It presents, in a unified way, recent research material of fundament al importance. It is self-contained, thanks to Chapt...

  14. Points-Based Safe Path Planning of Continuum Robots

    Directory of Open Access Journals (Sweden)

    Khuram Shahzad

    2015-07-01

    Full Text Available Continuum robots exhibit great potential in a number of challenging applications where traditional rigid link robots pose certain limitations, e.g., working in unstructured environments. In order to enable the usage of continuum robots in safety-critical applications, such as surgery and nuclear decontamination, it is extremely important to ensure a safe path for the robot's movement. Existing algorithms for continuum robot path planning have certain limitations that need to be addressed. These include the fact that none of the algorithms provide safety assurance parameters and control for path planning. They are computationally expensive, applicable to a specific type of continuum robots, and mostly they do not incorporate design and kinematics constraints. In this paper, we propose a points-based path planning (PoPP algorithm for continuum robots that computes the path by imposing safety constraints and improves upon the limitations of existing approaches. In the algorithm, we exploit the constant curvature-bending property of continuum robots in their path planning process. The algorithm is computationally efficient and provides a good tradeoff between accuracy and efficiency that can be implemented to enable the safety-critical application of continuum robots. This algorithm also provides information regarding path volume and flexibility in movement. Simulation results confirm that the algorithm possesses promising potential for all types of continuum robots (following the constant curvature-bending property. We believe that this effectively balances the desired safety and efficiency requirements.

  15. Extended thermodynamics

    CERN Document Server

    Müller, Ingo

    1993-01-01

    Physicists firmly believe that the differential equations of nature should be hyperbolic so as to exclude action at a distance; yet the equations of irreversible thermodynamics - those of Navier-Stokes and Fourier - are parabolic. This incompatibility between the expectation of physicists and the classical laws of thermodynamics has prompted the formulation of extended thermodynamics. After describing the motifs and early evolution of this new branch of irreversible thermodynamics, the authors apply the theory to mon-atomic gases, mixtures of gases, relativistic gases, and "gases" of phonons and photons. The discussion brings into perspective the various phenomena called second sound, such as heat propagation, propagation of shear stress and concentration, and the second sound in liquid helium. The formal mathematical structure of extended thermodynamics is exposed and the theory is shown to be fully compatible with the kinetic theory of gases. The study closes with the testing of extended thermodynamics thro...

  16. Stochastic Thermodynamics: A Dynamical Systems Approach

    Directory of Open Access Journals (Sweden)

    Tanmay Rajpurohit

    2017-12-01

    Full Text Available In this paper, we develop an energy-based, large-scale dynamical system model driven by Markov diffusion processes to present a unified framework for statistical thermodynamics predicated on a stochastic dynamical systems formalism. Specifically, using a stochastic state space formulation, we develop a nonlinear stochastic compartmental dynamical system model characterized by energy conservation laws that is consistent with statistical thermodynamic principles. In particular, we show that the difference between the average supplied system energy and the average stored system energy for our stochastic thermodynamic model is a martingale with respect to the system filtration. In addition, we show that the average stored system energy is equal to the mean energy that can be extracted from the system and the mean energy that can be delivered to the system in order to transfer it from a zero energy level to an arbitrary nonempty subset in the state space over a finite stopping time.

  17. Systematic vibration thermodynamic properties of bromine

    Science.gov (United States)

    Liu, G. Y.; Sun, W. G.; Liao, B. T.

    2015-11-01

    Based on the analysis of the maturity and finiteness of vibrational levels of bromine molecule in ground state and evaluating the effect on statistical computation, according to the elementary principles of quantum statistical theorem, using the full set of bromine molecular vibrational levels determined with algebra method, the statistical contribution for bromine systematical macroscopic thermodynamic properties is discussed. Thermodynamic state functions Helmholtz free energy, entropy and observable vibration heat capacity are calculated. The results show that the determination of full set of vibrational levels and maximum vibrational quantum number is the key in the correct statistical analysis of bromine systematical thermodynamic property. Algebra method results are clearly different from data of simple harmonic oscillator and the related algebra method results are no longer analytical but numerical and are superior to simple harmonic oscillator results. Compared with simple harmonic oscillator's heat capacities, the algebra method's heat capacities are more consistent with the experimental data in the given temperature range of 600-2100 K.

  18. Complexation of amidocarbamoyl phosphine oxides with Ln+3 (Ln = La, Nd, Pm, Sm and Eu) cation series: structural and thermodynamical features

    International Nuclear Information System (INIS)

    Hosseinnejad, Tayebeh; Kazemi, Tayebeh

    2016-01-01

    In the present study, we have mainly investigated the nature of interactions in Ln 3+ (Ln = La, Nd, Pm, Sm, Eu) complexes with amidocarbamoyl methyl phosphine oxide (CMPO) and amidocarbamoyl propyl phosphine oxide (CPPO) ligands based on density functional theory (DFT) approaches. In the first step, thermodynamical properties for complexation of CMPO and CPPO ligands with Ln 3+ cation series have been determined in the gas phase and with the presence of three solvents: n-hexane, chloroform and toluene, via polarized continuum model (PCM) computations. The trend of metal-ligand interaction strength has been analyzed and compared with the trend of ionic hardness within the series of lanthanide cations and different size of alkyl chain of amidocarbamoyl phosphine oxide ligand. The calculated thermochemical results in the gas and solution phases reveals that there is a consistency between increasing trend in the hardness of Ln 3+ cation series and also electron-donating property of alkyl chain with increasing in thermodynamical stability of [Ln-CMPO] 3+ and [Ln-CPPO] 3+ complex series. We have also demonstrated that in the complexation reaction of all complex series, using n-hexane as solvent is more favorable thermodynamically than chloroform and toluene. It should be stated that this issue has been observed in many experiments. Finally, analysis of calculated deformation energies and also the variation in bond order of some selected key bonds in CMPO and CPPO ligands and their corresponded Ln 3+ complexes series show a similar trend with increasing in the hardness of Ln 3+ cation series and electron-donating of alkyl chain of amidocarbamoyl phosphine oxide ligand.

  19. Variational principles of continuum mechanics I fundamentals

    CERN Document Server

    Berdichevskii, V L

    2009-01-01

    This is a concise and understandable book about variational principles of continuum mechanics. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.

  20. Thermodynamic modeling of the Al-U and Co-U systems

    International Nuclear Information System (INIS)

    Wang, J.; Liu, X.J.; Wang, C.P.

    2008-01-01

    The thermodynamic assessments of the Al-U and Co-U systems have been carried out by using the CALPHAD (Calculation of Phase Diagrams) method on the basis of the experimental data including thermodynamic properties and phase equilibria. Gibbs free energies of the solution phases were described by the subregular solution models with the Redlich-Kister equation, and those of the intermetallic compounds described by the sublattice models. A consistent set of thermodynamic parameters has been derived for describing the Gibbs free energies of each solution phase and intermetallic compounds in the Al-U and Co-U binary systems. The calculated phase diagrams and thermodynamic properties in the Al-U and Co-U systems are in good agreement with experimental data

  1. Thermodynamic modelling of shape memory behaviour: some examples

    International Nuclear Information System (INIS)

    Stalmans, R.; Humbeeck, J. van; Delaey, L.

    1995-01-01

    This paper gives a general view of a recently developed thermodynamic model of the thermoelastic martensitic transformation. Unlike existing empirical, mathematical or thermodynamic models, this generalised thermodynamic model can be used to understand and describe quantitatively the overall thermomechanical behaviour of polycrystalline shape memory alloys. Important points of difference between this and previous thermodynamic models are that the contributions of the stored elastic energy and of the crystal defects are also included. In addition, the mathematical approach and the assumptions in this model are selected in such a way that the calculations yield close approximations of the real behaviour and that the final mathematical equations are relatively simple. Several illustrations indicate that this model, in contrast to other models, can be used to understand the shape memory behaviour of complex cases. As an example of quantitative calculations, it is shown that this modelling can be an effective tool in the ''design'' of multifunctional materials consisting of shape memory elements embedded in matrix materials. (orig.)

  2. On the application of thermodynamics of corrosion for service life design of concrete structures

    DEFF Research Database (Denmark)

    Küter, Andre; Geiker, Mette Rica; Møller, Per

    2010-01-01

    There are unexploited possibilities in the application of thermodynamics of corrosion for service life design (SLD) of concrete structures. Thermodynamics provides means for insightful descriptions of corrosion mechanisms and of corrosion protection mechanisms. Strategies for corrosion protection...... of the application of thermodynamics for SLD and gives examples of two applications: description of corrosion processes and design of countermeasures. Emphasis is set on chloride induced corrosion....... can be based on thermodynamically consistent corrosion mechanisms and evaluation of existing and design of new countermeasures can be performed using thermodynamics. Similarly, materials concepts for embedded electrodes can be designed using thermodynamics. The present paper provides a brief outline...

  3. Tale taming radioactive fears: Linking nuclear waste disposal to the "continuum of the good".

    Science.gov (United States)

    Yli-Kauhaluoma, Sari; Hänninen, Hannu

    2014-04-01

    We examine how the constructor of the world's first repository for the final disposal of spent nuclear fuel in Eurajoki, Finland, aims to shape lay understanding of the facility's risks and to tame the nuclear fears of the local community by producing positive associations, imagery and tales. Our empirical material consists of the constructor's newsletters targeted mainly at the local residents. In the narrative analysis, we identified a storyline where the construction of the repository is linked into the "continuum of the good" in the municipality of the construction site and the surrounding areas. The storyline consists of five different themes all emphasizing the "continuum of the good" in the area: cultural heritage, well-being, developing expertise, natural environment, and local families. Our study contributes to the literature on pro-nuclear storytelling by showing how the inclination is towards narratives that are constructed around local symbols, cultural landmarks, and institutions.

  4. Conservation laws and symmetries in stochastic thermodynamics.

    Science.gov (United States)

    Polettini, Matteo; Bulnes-Cuetara, Gregory; Esposito, Massimiliano

    2016-11-01

    Phenomenological nonequilibrium thermodynamics describes how fluxes of conserved quantities, such as matter, energy, and charge, flow from outer reservoirs across a system and how they irreversibly degrade from one form to another. Stochastic thermodynamics is formulated in terms of probability fluxes circulating in the system's configuration space. The consistency of the two frameworks is granted by the condition of local detailed balance, which specifies the amount of physical quantities exchanged with the reservoirs during single transitions between configurations. We demonstrate that the topology of the configuration space crucially determines the number of independent thermodynamic affinities (forces) that the reservoirs generate across the system and provides a general algorithm that produces the fundamental affinities and their conjugate currents contributing to the total dissipation, based on the interplay between macroscopic conservations laws for the currents and microscopic symmetries of the affinities.

  5. Thermodynamically Tuned Nanophase Materials for reversible Hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Ping Liu; John J. Vajo

    2010-02-28

    This program was devoted to significantly extending the limits of hydrogen storage technology for practical transportation applications. To meet the hydrogen capacity goals set forth by the DOE, solid-state materials consisting of light elements were developed. Many light element compounds are known that have high capacities. However, most of these materials are thermodynamically too stable, and they release and store hydrogen much too slowly for practical use. In this project we developed new light element chemical systems that have high hydrogen capacities while also having suitable thermodynamic properties. In addition, we developed methods for increasing the rates of hydrogen exchange in these new materials. The program has significantly advanced (1) the application of combined hydride systems for tuning thermodynamic properties and (2) the use of nanoengineering for improving hydrogen exchange. For example, we found that our strategy for thermodynamic tuning allows both entropy and enthalpy to be favorably adjusted. In addition, we demonstrated that using porous supports as scaffolds to confine hydride materials to nanoscale dimensions could improve rates of hydrogen exchange by > 50x. Although a hydrogen storage material meeting the requirements for commercial development was not achieved, this program has provided foundation and direction for future efforts. More broadly, nanoconfinment using scaffolds has application in other energy storage technologies including batteries and supercapacitors. The overall goal of this program was to develop a safe and cost-effective nanostructured light-element hydride material that overcomes the thermodynamic and kinetic barriers to hydrogen reaction and diffusion in current materials and thereby achieve > 6 weight percent hydrogen capacity at temperatures and equilibrium pressures consistent with DOE target values.

  6. Variational principles of continuum mechanics II applications

    CERN Document Server

    Berdichevsky, Victor L

    2009-01-01

    This concise and understandable book about variational principles of continuum mechanics presents the classical models. The book is accessible to applied mathematicians, physicists and engineers who have an interest in continuum mechanics.

  7. Extension of a hybrid particle-continuum method for a mixture of chemical species

    Science.gov (United States)

    Verhoff, Ashley M.; Boyd, Iain D.

    2012-11-01

    Due to the physical accuracy and numerical efficiency achieved by analyzing transitional, hypersonic flow fields with hybrid particle-continuum methods, this paper describes a Modular Particle-Continuum (MPC) method and its extension to include multiple chemical species. Considerations that are specific to a hybrid approach for simulating gas mixtures are addressed, including a discussion of the Chapman-Enskog velocity distribution function (VDF) for near-equilibrium flows, and consistent viscosity models for the individual CFD and DSMC modules of the MPC method. Representative results for a hypersonic blunt-body flow are then presented, where the flow field properties, surface properties, and computational performance are compared for simulations employing full CFD, full DSMC, and the MPC method.

  8. Patients' experiences with continuum of care across hospitals. A multilevel analysis of Consumer Quality Index Continuum of Care

    NARCIS (Netherlands)

    Kollen, Boudewijn J.; Groenier, Klaas H.; Berendsen, Annette J.

    Objective: Communication between professionals is essential because it contributes to an optimal continuum of care. Whether patients experience adequate continuum of care is uncertain. To address this, a questionnaire was developed to elucidate this care process from a patients' perspective. In this

  9. Chemical thermodynamics of uranium

    International Nuclear Information System (INIS)

    Grenthe, I.; Fuger, J.; Lemire, R.J.; Muller, A.B.; Nguyen-Trung Cregu, C.; Wanner, H.

    1992-01-01

    A comprehensive overview on the chemical thermodynamics of those elements that are of particular importance in the safety assessment of radioactive waste disposal systems is provided. This is the first volume in a series of critical reviews to be published on this subject. The book provides an extensive compilation of chemical thermodynamic data for uranium. A description of procedures for activity corrections and uncertainty estimates is given. A critical discussion of data needed for nuclear waste management assessments, including areas where significant gaps of knowledge exist is presented. A detailed inventory of chemical thermodynamic data for inorganic compounds and complexes of uranium is listed. Data and their uncertainty limits are recommended for 74 aqueous complexes and 199 solid and 31 gaseous compounds containing uranium, and on 52 aqueous and 17 solid auxiliary species containing no uranium. The data are internally consistent and compatible with the CODATA Key Values. The book contains a detailed discussion of procedures used for activity factor corrections in aqueous solution, as well as including methods for making uncertainty estimates. The recommended data have been prepared for use in environmental geochemistry. Containing contributions written by experts the chapters cover various subject areas such a s: oxide and hydroxide compounds and complexes, the uranium nitrides, the solid uranium nitrates and the arsenic-containing uranium compounds, uranates, procedures for consistent estimation of entropies, gaseous and solid uranium halides, gaseous uranium oxides, solid phosphorous-containing uranium compounds, alkali metal uranates, uncertainties, standards and conventions, aqueous complexes, uranium minerals dealing with solubility products and ionic strength corrections. The book is intended for nuclear research establishments and consulting firms dealing with uranium mining and nuclear waste disposal, as well as academic and research institutes

  10. Complexation of amidocarbamoyl phosphine oxides with Ln{sup +3} (Ln = La, Nd, Pm, Sm and Eu) cation series: structural and thermodynamical features

    Energy Technology Data Exchange (ETDEWEB)

    Hosseinnejad, Tayebeh; Kazemi, Tayebeh [Alzahra Univ., Tehran (Iran, Islamic Republic of). Dept. of Chemistry

    2016-05-01

    In the present study, we have mainly investigated the nature of interactions in Ln{sup 3+} (Ln = La, Nd, Pm, Sm, Eu) complexes with amidocarbamoyl methyl phosphine oxide (CMPO) and amidocarbamoyl propyl phosphine oxide (CPPO) ligands based on density functional theory (DFT) approaches. In the first step, thermodynamical properties for complexation of CMPO and CPPO ligands with Ln{sup 3+} cation series have been determined in the gas phase and with the presence of three solvents: n-hexane, chloroform and toluene, via polarized continuum model (PCM) computations. The trend of metal-ligand interaction strength has been analyzed and compared with the trend of ionic hardness within the series of lanthanide cations and different size of alkyl chain of amidocarbamoyl phosphine oxide ligand. The calculated thermochemical results in the gas and solution phases reveals that there is a consistency between increasing trend in the hardness of Ln{sup 3+} cation series and also electron-donating property of alkyl chain with increasing in thermodynamical stability of [Ln-CMPO]{sup 3+} and [Ln-CPPO]{sup 3+} complex series. We have also demonstrated that in the complexation reaction of all complex series, using n-hexane as solvent is more favorable thermodynamically than chloroform and toluene. It should be stated that this issue has been observed in many experiments. Finally, analysis of calculated deformation energies and also the variation in bond order of some selected key bonds in CMPO and CPPO ligands and their corresponded Ln{sup 3+} complexes series show a similar trend with increasing in the hardness of Ln{sup 3+} cation series and electron-donating of alkyl chain of amidocarbamoyl phosphine oxide ligand.

  11. Hawking radiation and thermodynamics of a Vaidya-Bonner black hole

    International Nuclear Information System (INIS)

    Niu Zhenfeng; Liu Wenbiao

    2010-01-01

    Using Parikh's tunneling method, the Hawking radiation on the apparent horizon of a Vaidya-Bonner black hole is calculated. When the back-reaction of particles is neglected, the thermal spectrum can be precisely obtained. Then, the black hole thermodynamics can be calculated successfully on the apparent horizon. When a relativistic perturbation is applied to the apparent horizon, a similar calculation can also lead to a purely thermal spectrum. The first law of thermodynamics can also be derived successfully at the new supersurface near the apparent horizon. When the event horizon is thought of as a deviation from the apparent horizon, the expressions of the characteristic position and temperature are consistent with the previous viewpoint which asserts that the thermodynamics should be based on the event horizon. It is concluded that the thermodynamics should be constructed exactly on the apparent horizon while the event horizon thermodynamics is just one of the perturbations near the apparent horizon.

  12. Thermodynamic assessment of the Nb-W-C system

    International Nuclear Information System (INIS)

    Huang Weiming; Selleby, M.

    1997-01-01

    The phase equilibrium and thermodynamic information of the Nb-W-C system was reviewed and assessed by using thermodynamic models for the Gibbs energy of individual phases. The assessment was based on the recent evaluations of the W-C, Nb-W and Nb-C, which was revised in the present work taking ternary information into account. The model parameters were evaluated by fitting the selected experimental data by means of a computer program. A consistent set of parameters was obtained, which satisfactorily describes most of the experimental information. (orig.)

  13. Aspects of quality assurance in a thermodynamic Mg alloy database

    Energy Technology Data Exchange (ETDEWEB)

    Schmid-Fetzer, R.; Janz, A.; Groebner, J.; Ohno, M. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)

    2005-12-01

    Quality assurance is a major concern for large thermodynamic databases. Examples for standard tests on phase diagrams, thermodynamic functions or parameters will be shown that are of practical use in checking consistency and plausibility. The typical end user, applying the database to a real multicomponent material or process, will generally not have sufficient time, resources, and experience to perform the quality check himself. (Abstract Copyright [2005], Wiley Periodicals, Inc.)

  14. Extrapolation of lattice gauge theories to the continuum limit

    International Nuclear Information System (INIS)

    Duncan, A.; Vaidya, H.

    1978-01-01

    The problem of extrapolating lattice gauge theories from the strong-coupling phase to the continuum critical point is studied for the Abelian (U(1)) and non-Abelian (SU(2)) theories in three (space--time) dimensions. A method is described for obtaining the asymptotic behavior, for large β, of such thermodynamic quantities and correlation functions as the free energy and Wilson loop function. Certain general analyticity and positivity properties (in the complex β-plane) are shown to lead, after appropriate analytic remappings, to a Stieltjes property of these functions. Rigorous theorems then guarantee uniform and monotone convergence of the Pade approximants, with exact pointwise upper and lower bounds. The first three Pade's are computed for both the free energy and the Wilson function. For the free energy, satisfactory agreement is with the asymptotic behavior computed by an explicit lattice calculation. The strong-coupling series for the Wilson function is found to be considerably more unstable in the lower order terms - correspondingly, convergence of the Pade's is found to be slower than in the free-energy case. It is suggested that higher-order calculations may allow a reasonably accurate determination of the string constant for the SU(2) theory. 14 references

  15. Chemical thermodynamics of iron - Part 1 - Chemical thermodynamics volume 13a

    International Nuclear Information System (INIS)

    Lemire, Robert J.; Berner, Urs; Musikas, Claude; Palmer, Donald A.; Taylor, Peter; Tochiyama, Osamu; Perrone, Jane

    2013-01-01

    Volume 13a of the 'Chemical Thermodynamics' (TDB) series, is the first of two volumes describing the selection of chemical thermodynamic data for species of iron. Because of the voluminous information in the literature, it has been more efficient to prepare the review in two (unequal) parts. This larger first part contains assessments of data for the metal, simple ions, aqueous hydroxido, chlorido, sulfido, sulfato and carbonato complexes, and for solid oxides and hydroxides, halides, sulfates, carbonates and simple silicates. The second part will provide assessments of data for other aqueous halido species, sulfide solids, and solid and solution species with nitrate, phosphate and arsenate, as well as some aspects of solid solutions in iron-oxide and iron-sulfide systems. The database system developed at the OECD/NEA Data Bank ensures consistency not only within the recommended data sets of iron, but also among all the data sets published in the series. This volume will be of particular interest to scientists carrying out performance assessments of deep geological disposal sites for radioactive waste

  16. Lattice gravity near the continuum limit

    International Nuclear Information System (INIS)

    Feinberg, G.; Friedberg, R.; Lee, T.D.; Ren, H.C.

    1984-01-01

    We prove that the lattice gravity always approaches the usual continuum limit when the link length l -> 0, provided that certain general boundary conditions are satisfied. This result holds for any lattice, regular or irregular. Furthermore, for a given lattice, the deviation from its continuum limit can be expressed as a power series in l 2 . General formulas for such a perturbative calculation are given, together with a number of illustrative examples, including the graviton propagator. The lattice gravity satisfies all the invariance properties of Einstein's theory of general relativity. In addition, it is symmetric under a new class of transformations that are absent in the usual continuum theory. The possibility that the lattice theory (with a nonzero l) may be more fundamental is discussed. (orig.)

  17. Continuum Level Density in Complex Scaling Method

    International Nuclear Information System (INIS)

    Suzuki, R.; Myo, T.; Kato, K.

    2005-01-01

    A new calculational method of continuum level density (CLD) at unbound energies is studied in the complex scaling method (CSM). It is shown that the CLD can be calculated by employing the discretization of continuum states in the CSM without any smoothing technique

  18. Thermodynamic data for uranium fluorides

    International Nuclear Information System (INIS)

    Leitnaker, J.M.

    1983-03-01

    Self-consistent thermodynamic data have been tabulated for uranium fluorides between UF 4 and UF 6 , including UF 4 (solid and gas), U 4 F 17 (solid), U 2 F 9 (solid), UF 5 (solid and gas), U 2 F 10 (gas), and UF 6 (solid, liquid, and gas). Included are thermal function - the heat capacity, enthalpy, and free energy function, heats of formation, and vaporization behavior

  19. Rational extended thermodynamics

    CERN Document Server

    Müller, Ingo

    1998-01-01

    Ordinary thermodynamics provides reliable results when the thermodynamic fields are smooth, in the sense that there are no steep gradients and no rapid changes. In fluids and gases this is the domain of the equations of Navier-Stokes and Fourier. Extended thermodynamics becomes relevant for rapidly varying and strongly inhomogeneous processes. Thus the propagation of high­ frequency waves, and the shape of shock waves, and the regression of small-scale fluctuation are governed by extended thermodynamics. The field equations of ordinary thermodynamics are parabolic while extended thermodynamics is governed by hyperbolic systems. The main ingredients of extended thermodynamics are • field equations of balance type, • constitutive quantities depending on the present local state and • entropy as a concave function of the state variables. This set of assumptions leads to first order quasi-linear symmetric hyperbolic systems of field equations; it guarantees the well-posedness of initial value problems and f...

  20. Chemical thermodynamic representation of

    International Nuclear Information System (INIS)

    Lindemer, T.B.; Besmann, T.M.

    1984-01-01

    The entire data base for the dependence of the nonstoichiometry, x, on temperature and chemical potential of oxygen (oxygen potential) was retrieved from the literature and represented. This data base was interpreted by least-squares analysis using equations derived from the classical thermodynamic theory for the solid solution of a solute in a solvent. For hyperstoichiometric oxide at oxygen potentials more positive than -266700 + 16.5T kJ/mol, the data were best represented by a [UO 2 ]-[U 3 O 7 ] solution. For O/U ratios above 2 and oxygen potentials below this boundary, a [UO 2 ]-[U 2 O 4 . 5 ] solution represented the data. The data were represented by a [UO 2 ]-[U 1 / 3 ] solution. The resulting equations represent the experimental ln(PO 2 ) - ln(x) behavior and can be used in thermodynamic calculations to predict phase boundary compositions consistent with the literature. Collectively, the present analysis permits a mathematical representation of the behavior of the total data base

  1. RENEWAL OF BASIC LAWS AND PRINCIPLES FOR POLAR CONTINUUM THEORIES (Ⅱ)-MICROMORPHIC CONTINUUM THEORY AND COUPLE STRESS THEORY

    Institute of Scientific and Technical Information of China (English)

    戴天民

    2003-01-01

    The purpose is to reestablish the balance laws of momentum, angular momentumand energy and to derive the corresponding local and nonlocal balance equations formicromorphic continuum mechanics and couple stress theory. The desired results formicromorphic continuum mechanics and couple stress theory are naturally obtained via directtransitions and reductions from the coupled conservation law of energy for micropolarcontinuum theory, respectively. The basic balance laws and equation s for micromorphiccontinuum mechanics and couple stress theory are constituted by combining these resultsderived here and the traditional conservation laws and equations of mass and microinertiaand the entropy inequality. The incomplete degrees of the former related continuum theoriesare clarified. Finally, some special cases are conveniently derived.

  2. Classical and statistical thermodynamics

    CERN Document Server

    Rizk, Hanna A

    2016-01-01

    This is a text book of thermodynamics for the student who seeks thorough training in science or engineering. Systematic and thorough treatment of the fundamental principles rather than presenting the large mass of facts has been stressed. The book includes some of the historical and humanistic background of thermodynamics, but without affecting the continuity of the analytical treatment. For a clearer and more profound understanding of thermodynamics this book is highly recommended. In this respect, the author believes that a sound grounding in classical thermodynamics is an essential prerequisite for the understanding of statistical thermodynamics. Such a book comprising the two wide branches of thermodynamics is in fact unprecedented. Being a written work dealing systematically with the two main branches of thermodynamics, namely classical thermodynamics and statistical thermodynamics, together with some important indexes under only one cover, this treatise is so eminently useful.

  3. Thermodynamic modeling of the Ce-Zn and Pr-Zn systems

    International Nuclear Information System (INIS)

    Wang, C.P.; Chen, X.; Liu, X.J.; Pan, F.S.; Ishida, K.

    2008-01-01

    In order to develop the thermodynamic database of phase equilibria in the Mg-Zn-Re (Re: rare earth element) base alloys, the thermodynamic assessments of the Ce-Zn and Pr-Zn systems were carried out by using the calculation of phase diagrams (CALPHAD) method on the basis of the experimental data including thermodynamic properties and phase equilibria. Based on the available experimental data, Gibbs free energies of the solution phases (liquid, bcc, fcc, hcp and dhcp) were modeled by the subregular solution model with the Redlich-Kister formula, and those of the intermetallic compounds were described by the sublattice model. A consistent set of thermodynamic parameters has been derived for describing the Gibbs free energies of each solution phase and intermetallic compound in the Ce-Zn and Pr-Zn binary systems. An agreement between the present calculated results and experimental data is obtained

  4. Thermodynamic model of a solid with RKKY interaction and magnetoelastic coupling

    Science.gov (United States)

    Balcerzak, T.; Szałowski, K.; Jaščur, M.

    2018-04-01

    Thermodynamic description of a model system with magnetoelastic coupling is presented. The elastic, vibrational, electronic and magnetic energy contributions are taken into account. The long-range RKKY interaction is considered together with the nearest-neighbour direct exchange. The generalized Gibbs potential and the set of equations of state are derived, from which all thermodynamic functions are self-consistently obtained. Thermodynamic properties are calculated numerically for FCC structure for arbitrary external pressure, magnetic field and temperature, and widely discussed. In particular, for some parameters of interaction potential and electron concentration corresponding to antiferromagnetic phase, the existence of negative thermal expansion coefficient is predicted.

  5. Bicontinuous Phases in Diblock Copolymer/Homopolymer Blends: Simulation and Self-Consistent Field Theory

    KAUST Repository

    Martínez-Veracoechea, Francisco J.

    2009-03-10

    A combination of particle-based simulations and self-consistent field theory (SCFT) is used to study the stabilization of multiple ordered bicontinuous phases in blends of a diblock copolymer (DBC) and a homopolymer. The double-diamond phase (DD) and plumber\\'s nightmare phase (P) were spontaneously formed in the range of homopolymer volume fraction simulated via coarse-grained molecular dynamics. To the best of our knowledge, this is the first time that such phases have been obtained in continuum-space molecular simulations of DBC systems. Though tentative phase boundaries were delineated via free-energy calculations, macrophase separation could not be satisfactorily assessed within the framework of particle-based simulations. Therefore, SCFT was used to explore the DBC/homopolymer phase diagram in more detail, showing that although in many cases two-phase coexistence of a DBC-rich phase and a homopolymer-rich phase does precede the stability of complex bicontinuous phases the DD phase can be stable in a relatively wide region of the phase diagram. Whereas the P phase was always metastable with respect to macrophase separation under the thermodynamic conditions explored with SCFT, it was sometimes nearly stable, suggesting that full stability could be achieved in other unexplored regions of parameter space. Moreover, even the predicted DD- and P-phase metastability regions were located significantly far from the spinodal line, suggesting that these phases could be observed in experiments as "long-lived" metastable phases under those conditions. This conjecture is also consistent with large-system molecular dynamics simulations that showed that the time scale of mesophase formation is much faster than that of macrophase separation. © 2009 American Chemical Society.

  6. Advanced dielectric continuum model of preferential solvation

    Science.gov (United States)

    Basilevsky, Mikhail; Odinokov, Alexey; Nikitina, Ekaterina; Grigoriev, Fedor; Petrov, Nikolai; Alfimov, Mikhail

    2009-01-01

    A continuum model for solvation effects in binary solvent mixtures is formulated in terms of the density functional theory. The presence of two variables, namely, the dimensionless solvent composition y and the dimensionless total solvent density z, is an essential feature of binary systems. Their coupling, hidden in the structure of the local dielectric permittivity function, is postulated at the phenomenological level. Local equilibrium conditions are derived by a variation in the free energy functional expressed in terms of the composition and density variables. They appear as a pair of coupled equations defining y and z as spatial distributions. We consider the simplest spherically symmetric case of the Born-type ion immersed in the benzene/dimethylsulfoxide (DMSO) solvent mixture. The profiles of y(R ) and z(R ) along the radius R, which measures the distance from the ion center, are found in molecular dynamics (MD) simulations. It is shown that for a given solute ion z(R ) does not depend significantly on the composition variable y. A simplified solution is then obtained by inserting z(R ), found in the MD simulation for the pure DMSO, in the single equation which defines y(R ). In this way composition dependences of the main solvation effects are investigated. The local density augmentation appears as a peak of z(R ) at the ion boundary. It is responsible for the fine solvation effects missing when the ordinary solvation theories, in which z =1, are applied. These phenomena, studied for negative ions, reproduce consistently the simulation results. For positive ions the simulation shows that z ≫1 (z =5-6 at the maximum of the z peak), which means that an extremely dense solvation shell is formed. In such a situation the continuum description fails to be valid within a consistent parametrization.

  7. Physics of the continuum of borromean nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Vaagen, J S; Rogde, T [Dept. of Physics, Univ. of Bergen (Norway); Danilin, B V [RRC The Kurchatov Inst., Kurchatov, Moscow (Russian Federation); Ershov, S N [JINR, Dubna, Moscow (Russian Federation); Thompson, I J [Dept. of Physics, Univ. of Surrey, Guildford (United Kingdom); Zhukov, M V [Chalmers Univ. of Technology and Goeteborg Univ., Goeteborg (Sweden); RNBT Collaboration

    1998-06-01

    The continuum states of two-neutron halo nuclei are calculated in the method of hyperspherical harmonics. Using DWIA theory appropriate for dilute halo matter we have probed the structure of the low-lying {sup 6}He continuum via calculations of charge-exchange and inelastic scattering. (orig.)

  8. Gamma-ray continuum spectra from heavy ion reactions

    International Nuclear Information System (INIS)

    Beene, J.R.; Halbert, M.L.; Hensley, D.C.; Sarantites, D.G.; Westerberg, L.W.; Geoffroy, K.; Woodward, R.

    1979-01-01

    A detailed quantitative analysis of the yrast continuum was attempted by subtracting the underlying statistical continnuum in a way that makes allowance for ignorance of its detailed shape. This procedure makes it possible to obtain the moment of inertia as a function of spin over a wide range of spins. The results of this continuum spectra shape analysis can be used to calculate the first and second moments of the continuum multiplicity distribution. Continuum spectra were taken during the bombardment of 150 Nd by 115- and 130-MeV beams of 20 Ne, also the first and second moments of the γ-ray multiplicity distribution as a function of the gamma energy. The moment of inertia versus spin and the deduced Yrast continuua are shown. 10 references

  9. Self-consistent approach to the eletronic problem in disordered solids

    International Nuclear Information System (INIS)

    Taguena-Martinez, J.; Barrio, R.A.; Martinez, E.; Yndurain, F.

    1984-01-01

    It is developed a simple formalism which allows us to perform a self consistent non-parametrized calculation in a non-periodic system, by finding out the thermodynamically averaged Green's function of a cluster Bethe lattice system. (Author) [pt

  10. Quantum thermodynamic cycles and quantum heat engines. II.

    Science.gov (United States)

    Quan, H T

    2009-04-01

    We study the quantum-mechanical generalization of force or pressure, and then we extend the classical thermodynamic isobaric process to quantum-mechanical systems. Based on these efforts, we are able to study the quantum version of thermodynamic cycles that consist of quantum isobaric processes, such as the quantum Brayton cycle and quantum Diesel cycle. We also consider the implementation of the quantum Brayton cycle and quantum Diesel cycle with some model systems, such as single particle in a one-dimensional box and single-mode radiation field in a cavity. These studies lay the microscopic (quantum-mechanical) foundation for Szilard-Zurek single-molecule engine.

  11. Thermodynamic assessment of the Pr-Zn binary system

    International Nuclear Information System (INIS)

    Huang, X.M.; Liu, L.B.; Zhang, L.G.; Jia, B.R.; Jin, Z.P.; Zheng, F.

    2008-01-01

    On the basis of available experimental data of phase diagram and thermodynamic properties, the Pr-Zn binary system has been optimized using the CALPHAD approach. The phases, including liquid and bcc A 2(βPr) were treated as substitutional solutions, while the intermetallic compounds, including PrZn, PrZn 2 , PrZn 3 , Pr 3 Zn 11 , Pr 13 Zn 58 , Pr 3 Zn 22 , Pr 2 Zn 17 and PrZn 11 were modeled as stoichiometric compounds. As the result of optimization, a set of self-consistent thermodynamic parameters has been obtained, which can be used to reproduce the reported experimental data

  12. Thermodynamic modelling of alkali-activated slag cements

    International Nuclear Information System (INIS)

    Myers, Rupert J.; Lothenbach, Barbara; Bernal, Susan A.; Provis, John L.

    2015-01-01

    Highlights: • A thermodynamic modelling analysis of alkali-activated slag cements is presented. • Thermodynamic database describes zeolites, alkali carbonates, C–(N–)A–S–H gel. • Updated thermodynamic model for Mg–Al layered double hydroxides. • Description of phase assemblages in Na 2 SiO 3 - and Na 2 CO 3 -activated slag cements. • Phase diagrams for NaOH-activated and Na 2 SiO 3 -activated slag cements are simulated. - Abstract: This paper presents a thermodynamic modelling analysis of alkali-activated slag-based cements, which are high performance and potentially low-CO 2 binders relative to Portland cement. The thermodynamic database used here contains a calcium (alkali) aluminosilicate hydrate ideal solid solution model (CNASH-ss), alkali carbonate and zeolite phases, and an ideal solid solution model for a hydrotalcite-like Mg–Al layered double hydroxide phase. Simulated phase diagrams for NaOH- and Na 2 SiO 3 -activated slag-based cements demonstrate the high stability of zeolites and other solid phases in these materials. Thermodynamic modelling provides a good description of the chemical compositions and types of phases formed in Na 2 SiO 3 -activated slag cements over the most relevant bulk chemical composition range for these cements, and the simulated volumetric properties of the cement paste are consistent with previously measured and estimated values. Experimentally determined and simulated solid phase assemblages for Na 2 CO 3 -activated slag cements were also found to be in good agreement. These results can be used to design the chemistry of alkali-activated slag-based cements, to further promote the uptake of this technology and valorisation of metallurgical slags

  13. Loop quantization as a continuum limit

    International Nuclear Information System (INIS)

    Manrique, Elisa; Oeckl, Robert; Weber, Axel; Zapata, Jose A

    2006-01-01

    We present an implementation of Wilson's renormalization group and a continuum limit tailored for loop quantization. The dynamics of loop-quantized theories is constructed as a continuum limit of the dynamics of effective theories. After presenting the general formalism we show as a first explicit example the 2D Ising field theory, an interacting relativistic quantum field theory with local degrees of freedom quantized by loop quantization techniques

  14. Continuum emission from classical nova winds

    International Nuclear Information System (INIS)

    Harkness, R.P.

    1983-01-01

    The emergent continuum of a slow classical nova during outburst is considered in the quasi-steady optically thick, transonic wind model. Models are presented for various steady mass loss rates and are related to the evolution of slow novae during decline and early post-maximum. The continuum emission is found to depart radically from a blackbody spectrum and to exhibit features common to highly extended stellar atmospheres. (author)

  15. Continuum solutions of the Klein-Gordon equation

    International Nuclear Information System (INIS)

    Jansen, G.; Pusch, M.; Soff, G.

    1987-10-01

    We construct explicit solutions of the Klein-Gordon equation for continuum states. The role of the energy in the single-particle Klein-Gordon theory is elucidated. Special emphasis is laid on the determination of resonance states in the continuum for overcritical potentials. As examples for long-range interaction we depict solutions for the Coulomb potential of a point-like nucleus as an extended nucleus. The square-well potential and the exponential potential are treated to exemplify pecularities of short-range interactions. We also derive continuum solutions for a scalar interaction of square-well type. Finally we discuss the behaviour of a spin-0 particle in an external homogeneous magnetic field. (orig.)

  16. Is the Quilted Multiverse Consistent with a Thermodynamic Arrow of Time?

    Science.gov (United States)

    Aharonov, Yakir; Cohen, Eliahu; Shushi, Tomer

    2018-02-01

    Theoretical achievements, as well as much controversy, surround multiverse theory. Various types of multiverses, with an increasing amount of complexity, were suggested and thoroughly discussed in literature by now. While these types are very different, they all share the same basic idea: our physical reality consists of more than just one universe. Each universe within a possibly huge multiverse might be slightly or even very different from the others. The quilted multiverse is one of these types, whose uniqueness arises from the postulate that every possible event will occur infinitely many times in infinitely many universes. In this paper we show that the quilted multiverse is not self-consistent due to the instability of entropy decrease under small perturbations. We therefore propose a modified version of the quilted multiverse which might overcome this shortcoming. It includes only those universes where the minimal entropy occurs at the same instant of (cosmological) time. Only these universes whose initial conditions are fine-tuned within a small phase-space region would evolve consistently to form their "close"' states at present. A final boundary condition on the multiverse may further lower the amount of possible, consistent universes. Finally, some related observations regarding the many-worlds interpretation of quantum mechanics and the emergence of classicality are discussed.

  17. Is the Quilted Multiverse Consistent with a Thermodynamic Arrow of Time?

    Directory of Open Access Journals (Sweden)

    Yakir Aharonov

    2018-02-01

    Full Text Available Theoretical achievements, as well as much controversy, surround multiverse theory. Various types of multiverses, with an increasing amount of complexity, were suggested and thoroughly discussed in literature by now. While these types are very different, they all share the same basic idea: our physical reality consists of more than just one universe. Each universe within a possibly huge multiverse might be slightly or even very different from the others. The quilted multiverse is one of these types, whose uniqueness arises from the postulate that every possible event will occur infinitely many times in infinitely many universes. In this paper we show that the quilted multiverse is not self-consistent due to the instability of entropy decrease under small perturbations. We therefore propose a modified version of the quilted multiverse which might overcome this shortcoming. It includes only those universes where the minimal entropy occurs at the same instant of (cosmological time. Only these universes whose initial conditions are fine-tuned within a small phase-space region would evolve consistently to form their “close” states at present. A final boundary condition on the multiverse may further lower the amount of possible, consistent universes. Finally, some related observations regarding the many-worlds interpretation of quantum mechanics and the emergence of classicality are discussed.

  18. High order ADER schemes for a unified first order hyperbolic formulation of continuum mechanics: Viscous heat-conducting fluids and elastic solids

    Energy Technology Data Exchange (ETDEWEB)

    Dumbser, Michael, E-mail: michael.dumbser@unitn.it [Department of Civil, Environmental and Mechanical Engineering, University of Trento, Via Mesiano 77, 38123 Trento (Italy); Peshkov, Ilya, E-mail: peshkov@math.nsc.ru [Open and Experimental Center for Heavy Oil, Université de Pau et des Pays de l' Adour, Avenue de l' Université, 64012 Pau (France); Romenski, Evgeniy, E-mail: evrom@math.nsc.ru [Sobolev Institute of Mathematics, 4 Acad. Koptyug Avenue, 630090 Novosibirsk (Russian Federation); Novosibirsk State University, 2 Pirogova Str., 630090 Novosibirsk (Russian Federation); Zanotti, Olindo, E-mail: olindo.zanotti@unitn.it [Department of Civil, Environmental and Mechanical Engineering, University of Trento, Via Mesiano 77, 38123 Trento (Italy)

    2016-06-01

    Highlights: • High order schemes for a unified first order hyperbolic formulation of continuum mechanics. • The mathematical model applies simultaneously to fluid mechanics and solid mechanics. • Viscous fluids are treated in the frame of hyper-elasticity as generalized visco-plastic solids. • Formal asymptotic analysis reveals the connection with the Navier–Stokes equations. • The distortion tensor A in the model appears to be well-suited for flow visualization. - Abstract: This paper is concerned with the numerical solution of the unified first order hyperbolic formulation of continuum mechanics recently proposed by Peshkov and Romenski [110], further denoted as HPR model. In that framework, the viscous stresses are computed from the so-called distortion tensor A, which is one of the primary state variables in the proposed first order system. A very important key feature of the HPR model is its ability to describe at the same time the behavior of inviscid and viscous compressible Newtonian and non-Newtonian fluids with heat conduction, as well as the behavior of elastic and visco-plastic solids. Actually, the model treats viscous and inviscid fluids as generalized visco-plastic solids. This is achieved via a stiff source term that accounts for strain relaxation in the evolution equations of A. Also heat conduction is included via a first order hyperbolic system for the thermal impulse, from which the heat flux is computed. The governing PDE system is hyperbolic and fully consistent with the first and the second principle of thermodynamics. It is also fundamentally different from first order Maxwell–Cattaneo-type relaxation models based on extended irreversible thermodynamics. The HPR model represents therefore a novel and unified description of continuum mechanics, which applies at the same time to fluid mechanics and solid mechanics. In this paper, the direct connection between the HPR model and the classical hyperbolic–parabolic Navier

  19. High order ADER schemes for a unified first order hyperbolic formulation of continuum mechanics: Viscous heat-conducting fluids and elastic solids

    International Nuclear Information System (INIS)

    Dumbser, Michael; Peshkov, Ilya; Romenski, Evgeniy; Zanotti, Olindo

    2016-01-01

    Highlights: • High order schemes for a unified first order hyperbolic formulation of continuum mechanics. • The mathematical model applies simultaneously to fluid mechanics and solid mechanics. • Viscous fluids are treated in the frame of hyper-elasticity as generalized visco-plastic solids. • Formal asymptotic analysis reveals the connection with the Navier–Stokes equations. • The distortion tensor A in the model appears to be well-suited for flow visualization. - Abstract: This paper is concerned with the numerical solution of the unified first order hyperbolic formulation of continuum mechanics recently proposed by Peshkov and Romenski [110], further denoted as HPR model. In that framework, the viscous stresses are computed from the so-called distortion tensor A, which is one of the primary state variables in the proposed first order system. A very important key feature of the HPR model is its ability to describe at the same time the behavior of inviscid and viscous compressible Newtonian and non-Newtonian fluids with heat conduction, as well as the behavior of elastic and visco-plastic solids. Actually, the model treats viscous and inviscid fluids as generalized visco-plastic solids. This is achieved via a stiff source term that accounts for strain relaxation in the evolution equations of A. Also heat conduction is included via a first order hyperbolic system for the thermal impulse, from which the heat flux is computed. The governing PDE system is hyperbolic and fully consistent with the first and the second principle of thermodynamics. It is also fundamentally different from first order Maxwell–Cattaneo-type relaxation models based on extended irreversible thermodynamics. The HPR model represents therefore a novel and unified description of continuum mechanics, which applies at the same time to fluid mechanics and solid mechanics. In this paper, the direct connection between the HPR model and the classical hyperbolic–parabolic Navier

  20. Incomplete nonextensive statistics and the zeroth law of thermodynamics

    International Nuclear Information System (INIS)

    Huang Zhi-Fu; Ou Cong-Jie; Chen Jin-Can

    2013-01-01

    On the basis of the entropy of incomplete statistics (IS) and the joint probability factorization condition, two controversial problems existing in IS are investigated: one is what expression of the internal energy is reasonable for a composite system and the other is whether the traditional zeroth law of thermodynamics is suitable for IS. Some new equivalent expressions of the internal energy of a composite system are derived through accurate mathematical calculation. Moreover, a self-consistent calculation is used to expound that the zeroth law of thermodynamics is also suitable for IS, but it cannot be proven theoretically. Finally, it is pointed out that the generalized zeroth law of thermodynamics for incomplete nonextensive statistics is unnecessary and the nonextensive assumptions for the composite internal energy will lead to mathematical contradiction. (general)

  1. Correct thermodynamic forces in Tsallis thermodynamics: connection with Hill nanothermodynamics

    International Nuclear Information System (INIS)

    Garcia-Morales, Vladimir; Cervera, Javier; Pellicer, Julio

    2005-01-01

    The equivalence between Tsallis thermodynamics and Hill's nanothermodynamics is established. The correct thermodynamic forces in Tsallis thermodynamics are pointed out. Through this connection we also find a general expression for the entropic index q which we illustrate with two physical examples, allowing in both cases to relate q to the underlying dynamics of the Hamiltonian systems

  2. Investigation of the sensitivity of visible continuum Zeff(0) to edge radiation

    International Nuclear Information System (INIS)

    Telesca, G.; Oost, G. Van; Ongena, J.; Leys, C.; Schoon, N.

    1992-01-01

    The determination of Z eff from visible continuum radiation is based on the assumption that the line-integrated continuum signal is mostly composed of bremsstrahlung radiation. In practice a wavelength window relatively free of spectral lines is selected, and the line-integrated continuum signal along different chords from the edge up to the central plasma is measured. The local emissivity ε(r) is then calculated using an Abel inversion procedure, and the Z eff profile can be obtained. Although theory and techniques are well established, in any experimental device there remains an uncertainty in the calculated value of Z eff due to the non-bremsstrahlung radiation from the cooler edge plasma (e.g. emission from recombination and molecular bands). As a consequence, the local bremsstrahlung emissivity in the outer region of the plasma cannot be determined and the signal measured along every chord through the plasma contains a spurious contribution. In this paper the error in the value of the central plasma emissivity (and Z eff ) due to edge radiation has been investigated. Qualitative analytical considerations have been complemented by a qualitative analysis, consisting of the comparison of test emissivity profiles with Abel-inverted profiles obtained from the integrals along central chords only. (author) 5 refs., 5 figs

  3. Thermodynamics and heat power

    CERN Document Server

    Granet, Irving

    2014-01-01

    Fundamental ConceptsIntroductionThermodynamic SystemsTemperatureForce and MassElementary Kinetic Theory of GasesPressureReviewKey TermsEquations Developed in This ChapterQuestionsProblemsWork, Energy, and HeatIntroductionWorkEnergyInternal EnergyPotential EnergyKinetic EnergyHeatFlow WorkNonflow WorkReviewKey TermsEquations Developed in This ChapterQuestionsProblemsFirst Law of ThermodynamicsIntroductionFirst Law of ThermodynamicsNonflow SystemSteady-Flow SystemApplications of First Law of ThermodynamicsReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Second Law of ThermodynamicsIntroductionReversibility-Second Law of ThermodynamicsThe Carnot CycleEntropyReviewKey TermsEquations Developed in This ChapterQuestionsProblemsProperties of Liquids and GasesIntroductionLiquids and VaporsThermodynamic Properties of SteamComputerized PropertiesThermodynamic DiagramsProcessesReviewKey TermsEquations Developed in This ChapterQuestionsProblemsThe Ideal GasIntroductionBasic ConsiderationsSpecific Hea...

  4. Thermodynamics and economics

    International Nuclear Information System (INIS)

    Mansson, B.A.

    1990-01-01

    Economics, as the social science most concerned with the use and distribution of natural resources, must start to make use of the knowledge at hand in the natural sciences about such resources. In this, thermodynamics is an essential part. In a physicists terminology, human economic activity may be described as a dissipative system which flourishes by transforming and exchanging resources, goods and services. All this involves complex networks of flows of energy and materials. This implies that thermodynamics, the physical theory of energy and materials flows, must have implications for economics. On another level, thermodynamics has been recognized as a physical theory of value, with value concepts similar to those of economic theory. This paper discusses some general aspects of the significance of non-equilibrium thermodynamics for economics. The role of exergy, probably the most important of the physical measures of value, is elucidated. Two examples of integration of thermodynamics with economic theory are reviewed. First, a simple model of a steady-state production system is sued to illustrate the effects of thermodynamic process constraints. Second, the framework of a simple macroeconomic growth model is used to illustrate how some thermodynamic limitations may be integrated in macroeconomic theory

  5. Heat and thermodynamics

    CERN Document Server

    Saxena, A K

    2014-01-01

    Heat and thermodynamics aims to serve as a textbook for Physics, Chemistry and Engineering students. The book covers basic ideas of Heat and Thermodynamics, Kinetic Theory and Transport Phenomena, Real Gases, Liquafaction and Production and Measurement of very Low Temperatures, The First Law of Thermodynamics, The Second and Third Laws of Thermodynamics and Heat Engines and Black Body Radiation. KEY FEATURES Emphasis on concepts Contains 145 illustrations (drawings), 9 Tables and 48 solved examples At the end of chapter exercises and objective questions

  6. Continuum of active nuclei of galaxies

    International Nuclear Information System (INIS)

    Boisson, C.; Durret, F.

    1987-01-01

    Most of the luminosity of active galactic nuclei (NAG) is radiated in the form of a continuum extending from radio to X-ray energies. It is important to understand the origin of this continuum in order to explain the relative importance of thermal and non-thermal processes in the different classes of NAG. We present here the observational aspect. A detailed study of the mechanisms will be presented by J.L. Masnou [fr

  7. EquilTheTA: Thermodynamic and transport properties of complex equilibrium plasmas

    International Nuclear Information System (INIS)

    Colonna, G.; D'Angola, A.

    2012-01-01

    EquilTheTA (EQUILibrium for plasma THErmodynamics and Transport Applications) is a web-based software which calculates chemical equilibrium product concentrations from any set of reactants and determines thermodynamic and transport properties for the product mixture in wide temperature and pressure ranges. The program calculates chemical equilibrium by using a hierarchical approach, thermodynamic properties and transport coefficients starting from recent and accurate databases of atomic and molecular energy levels and collision integrals. In the calculations, Debye length and cut-off are consistently updated and virial corrections (up to third order) can be considered. Transport coefficients are calculated by using high order approximations of the Chapman-Enskog method.

  8. Numerical modeling of large field-induced strains in ferroelastic bodies: a continuum approach

    International Nuclear Information System (INIS)

    Raikher, Yu L; Stolbov, O V

    2008-01-01

    A consistent continuum model of a soft magnetic elastomer (SME) is presented and developed for the case of finite strain. The numeric algorithm enabling one to find the field-induced shape changes of an SME body is described. The reliability of the method is illustrated by several examples revealing specifics of the magnetostriction effect in SME samples of various geometries

  9. Thermodynamics of Bioreactions.

    Science.gov (United States)

    Held, Christoph; Sadowski, Gabriele

    2016-06-07

    Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions.

  10. Statistical thermodynamics of nonequilibrium processes

    CERN Document Server

    Keizer, Joel

    1987-01-01

    The structure of the theory ofthermodynamics has changed enormously since its inception in the middle of the nineteenth century. Shortly after Thomson and Clausius enunciated their versions of the Second Law, Clausius, Maxwell, and Boltzmann began actively pursuing the molecular basis of thermo­ dynamics, work that culminated in the Boltzmann equation and the theory of transport processes in dilute gases. Much later, Onsager undertook the elucidation of the symmetry oftransport coefficients and, thereby, established himself as the father of the theory of nonequilibrium thermodynamics. Com­ bining the statistical ideas of Gibbs and Langevin with the phenomenological transport equations, Onsager and others went on to develop a consistent statistical theory of irreversible processes. The power of that theory is in its ability to relate measurable quantities, such as transport coefficients and thermodynamic derivatives, to the results of experimental measurements. As powerful as that theory is, it is linear and...

  11. Improved continuum lowering calculations in screened hydrogenic model with l-splitting for high energy density systems

    Science.gov (United States)

    Ali, Amjad; Shabbir Naz, G.; Saleem Shahzad, M.; Kouser, R.; Aman-ur-Rehman; Nasim, M. H.

    2018-03-01

    The energy states of the bound electrons in high energy density systems (HEDS) are significantly affected due to the electric field of the neighboring ions. Due to this effect bound electrons require less energy to get themselves free and move into the continuum. This phenomenon of reduction in potential is termed as ionization potential depression (IPD) or the continuum lowering (CL). The foremost parameter to depict this change is the average charge state, therefore accurate modeling for CL is imperative in modeling atomic data for computation of radiative and thermodynamic properties of HEDS. In this paper, we present an improved model of CL in the screened hydrogenic model with l-splitting (SHML) proposed by G. Faussurier and C. Blancard, P. Renaudin [High Energy Density Physics 4 (2008) 114] and its effect on average charge state. We propose the level charge dependent calculation of CL potential energy and inclusion of exchange and correlation energy in SHML. By doing this, we made our model more relevant to HEDS and free from CL empirical parameter to the plasma environment. We have implemented both original and modified model of SHML in our code named OPASH and benchmark our results with experiments and other state-of-the-art simulation codes. We compared our results of average charge state for Carbon, Beryllium, Aluminum, Iron and Germanium against published literature and found a very reasonable agreement between them.

  12. Thermodynamic analysis of energy conversion and transfer in hybrid system consisting of wind turbine and advanced adiabatic compressed air energy storage

    International Nuclear Information System (INIS)

    Zhang, Yuan; Yang, Ke; Li, Xuemei; Xu, Jianzhong

    2014-01-01

    A simulation model consisting of wind speed, wind turbine and AA-CAES (advanced adiabatic compressed air energy storage) system is developed in this paper, and thermodynamic analysis on energy conversion and transfer in hybrid system is carried out. The impacts of stable wind speed and unstable wind speed on the hybrid system are analyzed and compared from the viewpoint of energy conversion and system efficiency. Besides, energy conversion relationship between wind turbine and AA-CAES system is investigated on the basis of process analysis. The results show that there are several different forms of energy in hybrid system, which have distinct conversion relationship. As to wind turbine, power coefficient determines wind energy utilization efficiency, and in AA-CAES system, it is compressor efficiency that mainly affects energy conversion efficiencies of other components. The strength and fluctuation of wind speed have a direct impact on energy conversion efficiencies of components of hybrid system, and within proper wind speed scope, the maximum of system efficiency could be expected. - Highlights: • A hybrid system consisting of wind, wind turbine and AA-CAES system is established. • Energy conversion in hybrid system with stable and unstable wind speed is analyzed. • Maximum efficiency of hybrid system can be reached within proper wind speed scope. • Thermal energy change in hybrid system is more sensitive to wind speed change. • Compressor efficiency can affect other efficiencies in AA-CAES system

  13. A consistency assessment of coupled cohesive zone models for mixed-mode debonding problems

    Directory of Open Access Journals (Sweden)

    R. Dimitri

    2014-07-01

    Full Text Available Due to their simplicity, cohesive zone models (CZMs are very attractive to describe mixed-mode failure and debonding processes of materials and interfaces. Although a large number of coupled CZMs have been proposed, and despite the extensive related literature, little attention has been devoted to ensuring the consistency of these models for mixed-mode conditions, primarily in a thermodynamical sense. A lack of consistency may affect the local or global response of a mechanical system. This contribution deals with the consistency check for some widely used exponential and bilinear mixed-mode CZMs. The coupling effect on stresses and energy dissipation is first investigated and the path-dependance of the mixed-mode debonding work of separation is analitically evaluated. Analytical predictions are also compared with results from numerical implementations, where the interface is described with zero-thickness contact elements. A node-to-segment strategy is here adopted, which incorporates decohesion and contact within a unified framework. A new thermodynamically consistent mixed-mode CZ model based on a reformulation of the Xu-Needleman model as modified by van den Bosch et al. is finally proposed and derived by applying the Coleman and Noll procedure in accordance with the second law of thermodynamics. The model holds monolithically for loading and unloading processes, as well as for decohesion and contact, and its performance is demonstrated through suitable examples.

  14. Thermodynamic mechanism of density anomaly of liquid water

    Directory of Open Access Journals (Sweden)

    Makoto eYasutomi

    2015-03-01

    Full Text Available Although density anomaly of liquid water has long been studied by many different authors up to now, it is not still cleared what thermodynamic mechanism induces the anomaly. The thermodynamic properties of substances are determined by interparticle interactions. We analyze what characteristics of pair potential cause the density anomaly on the basis of statistical mechanics and thermodynamics using a thermodynamically self-consistent Ornstein-Zernike approximation (SCOZA. We consider a fluid of spherical particles with a pair potential given by a hard-core repulsion plus a soft-repulsion and an attraction. We show that the density anomaly occurs when the value of the soft-repulsive potential at hard-core contact is in some proper range, and the range depends on the attraction. Further, we show that the behavior of the excess internal energy plays an essential role in the density anomaly and the behavior is mainly determined by the values of the soft-repulsive potential, especially near the hard core contact. Our results show that most of ideas put forward up to now are not the direct causes of the density anomaly of liquid water.

  15. Design of thermodynamic experiments and analyses of thermodynamic relationships

    International Nuclear Information System (INIS)

    Oezer Arnas, A.

    2009-01-01

    In teaching of thermodynamics, a certain textbook is followed internationally whatever language it is written in. However, although some do a very good job, most are not correct and precise and furthermore NONE discuss at all the need for and importance of designing thermodynamic experiments although experimentation in engineering is considered to be the back bone of analyses, not pursued much these days, or numerical studies, so very predominant these days. Here some thermodynamic experiments along with physical interpretation of phenomena through simple mathematics will be discussed that are straightforward, meaningful and which can be performed by any undergraduate/graduate student. Another important topic for discussion is the fact that the thermodynamic state principle demands uniqueness of results. It has been found in literature that this fact is not well understood by those who attempt to apply it loosely and end up with questionable results. Thermodynamics is the fundamental science that clarifies all these issues if well understood, applied and interpreted. The attempt of this paper is to clarify these situations and offer alternative methods for analyses. (author)

  16. Thermodynamics of quark gas

    Energy Technology Data Exchange (ETDEWEB)

    Biswas, S. N.

    1980-07-01

    The application of quantum statistical mechanics to a system of particles consisting of quarks is considered. Realistic theoretical investigations have been underway to understand highly dense objects such as white dwarfs and neutron stars. The various possibilities in the case of very high densities such as 10/sup 15/ or 10/sup 16/ g/cm/sup 3/ are enumerated. The thermodynamics of a phase transition from neutron matter phase to quark matter phase is analysed. Preliminary results based on quantum chromodynamics and other phenomenological models are reported.

  17. Thermodynamic modeling of the Sc-Zn system coupled with first-principles calculation

    Directory of Open Access Journals (Sweden)

    Tang C.

    2012-01-01

    Full Text Available The Sc-Zn system has been critically reviewed and assessed by means of CALPHAD (CALculation of PHAse Diagram approach. By means of first-principles calculation, the enthalpies of formation at 0 K for the ScZn, ScZn2, Sc17Zn58, Sc3Zn17 and ScZn12 have been computed with the desire to assist thermodynamic modeling. A set of self-consistent thermodynamic parameters for the Sc-Zn system is then obtained. The calculated phase diagram and thermodynamic properties agree well with the experimental data and first-principles calculations, respectively.

  18. Continuum simulations of water flow past fullerene molecules

    DEFF Research Database (Denmark)

    Popadic, A.; Praprotnik, M.; Koumoutsakos, P.

    2015-01-01

    We present continuum simulations of water flow past fullerene molecules. The governing Navier-Stokes equations are complemented with the Navier slip boundary condition with a slip length that is extracted from related molecular dynamics simulations. We find that several quantities of interest...... as computed by the present model are in good agreement with results from atomistic and atomistic-continuum simulations at a fraction of the cost. We simulate the flow past a single fullerene and an array of fullerenes and demonstrate that such nanoscale flows can be computed efficiently by continuum flow...

  19. Kinetic and thermodynamic modelling of TBP synthesis processes

    International Nuclear Information System (INIS)

    Azzouz, A.; Attou, M.

    1989-02-01

    The present paper deals with kinetic and thermodynamic modellisation of tributylphosphate (TBP) synthesis processes. Its aim consists in a purely comparative study of two different synthesis ways i.e. direct and indirect estirification of butanol. The methodology involves two steps. The first step consists in approximating curves which describe the process evolution and their dependence on the main parameters. The results gave a kinetic model of the process rate yielding in TBP. Further, on the basis of thermodynamic data concerning the various involved compounds a theoretical model was achieved. The calculations were carried out in Basic language and an interpolation mathematical method was applied to approximate the kinetic curves. The thermodynamic calculations were achieved on the basis of GIBBS' free energy using a VAX type computer and a VT240 terminal. The calculations accuracy was reasonable and within the norms. For each process, the confrontation of both models leads to an appreciable accord. In the two processes, the thermodynamic models were similar although the kinetic equations present different reaction orders. Hence the reaction orders were determined by a mathematical method which conists in searching the minimal difference between an empiric relation and a kinetic model with fixed order. This corresponds in fact in testing the model proposed at various reaction order around the suspected value. The main idea which results from such a work is that this kind of processes is well fitting with the model without taking into account the side chain reactions. The process behaviour is like that of a single reaction having a quasi linear dependence of the rate yielding and the reaction time for both processes

  20. An introduction to equilibrium thermodynamics

    CERN Document Server

    Morrill, Bernard; Hartnett, James P; Hughes, William F

    1973-01-01

    An Introduction to Equilibrium Thermodynamics discusses classical thermodynamics and irreversible thermodynamics. It introduces the laws of thermodynamics and the connection between statistical concepts and observable macroscopic properties of a thermodynamic system. Chapter 1 discusses the first law of thermodynamics while Chapters 2 through 4 deal with statistical concepts. The succeeding chapters describe the link between entropy and the reversible heat process concept of entropy; the second law of thermodynamics; Legendre transformations and Jacobian algebra. Finally, Chapter 10 provides a

  1. Methods of thermodynamics

    CERN Document Server

    Reiss, Howard

    1997-01-01

    Since there is no shortage of excellent general books on elementary thermodynamics, this book takes a different approach, focusing attention on the problem areas of understanding of concept and especially on the overwhelming but usually hidden role of ""constraints"" in thermodynamics, as well as on the lucid exposition of the significance, construction, and use (in the case of arbitrary systems) of the thermodynamic potential. It will be especially useful as an auxiliary text to be used along with any standard treatment.Unlike some texts, Methods of Thermodynamics does not use statistical m

  2. Thermodynamic calculation of phase equilibria of the U-Ga and U-W systems

    International Nuclear Information System (INIS)

    Wang, J.; Liu, X.J.; Wang, C.P.

    2008-01-01

    The thermodynamic assessments of the U-Ga and U-W systems have been carried out by using the CALPHAD (calculation of phase diagrams) method using experimental data including thermodynamic properties and phase equilibria. Gibbs free energies of the solution phases were described by the subregular solution models with the Redlich-Kister equation, and those of the intermetallic compounds were described by the sublattice models. A consistent set of thermodynamic parameters has been derived for the Gibbs free energy of each phase in the U-Ga and U-W binary systems, respectively. The calculated phase diagrams and thermodynamic properties in the U-Ga and U-W systems are in good agreement with experimental data

  3. Thermodynamic assessment of the K-Na and Cr-V system

    International Nuclear Information System (INIS)

    Odusote, Y.A.

    2008-01-01

    The assessment of the thermodynamic properties of K-Na and Cr-V molten alloys has been theoretically examined using a simple statistical mechanical model based on pairwise interaction to obtain higher-order conditional probabilities that describe the occupation of the neighbouring atoms in molten binary alloys. The optimised values of order energy ω obtained are used to describe a number of thermodynamic quantities computed for different concentrations in the alloys at 384 and 1550 K, respectively. The study shows that there is a tendency for homocoordination (like atoms pairing as nearest neighbour) in K-Na and the existence of heterocoordination in Cr-V at all concentrations. Thus, the consistency between calculated and reported experimental thermodynamic values enforces the legitimacy of the findings

  4. Continuum mechanics for engineers

    CERN Document Server

    Mase, G Thomas; Mase, George E

    2009-01-01

    Continuum TheoryContinuum MechanicsStarting OverNotationEssential MathematicsScalars, Vectors and Cartesian TensorsTensor Algebra in Symbolic Notation - Summation ConventionIndicial NotationMatrices and DeterminantsTransformations of Cartesian TensorsPrincipal Values and Principal DirectionsTensor Fields, Tensor CalculusIntegral Theorems of Gauss and StokesStress PrinciplesBody and Surface Forces, Mass DensityCauchy Stress PrincipleThe Stress TensorForce and Moment Equilibrium; Stress Tensor SymmetryStress Transformation LawsPrincipal Stresses; Principal Stress DirectionsMaximum and Minimum Stress ValuesMohr's Circles For Stress Plane StressDeviator and Spherical Stress StatesOctahedral Shear StressKinematics of Deformation and MotionParticles, Configurations, Deformations and MotionMaterial and Spatial CoordinatesLangrangian and Eulerian DescriptionsThe Displacement FieldThe Material DerivativeDeformation Gradients, Finite Strain TensorsInfinitesimal Deformation TheoryCompatibility EquationsStretch RatiosRot...

  5. A self-consistent theory of the magnetic polaron

    International Nuclear Information System (INIS)

    Marvakov, D.I.; Kuzemsky, A.L.; Vlahov, J.P.

    1984-10-01

    A finite temperature self-consistent theory of magnetic polaron in the s-f model of ferromagnetic semiconductors is developed. The calculations are based on the novel approach of the thermodynamic two-time Green function methods. This approach consists in the introduction of the ''irreducible'' Green functions (IGF) and derivation of the exact Dyson equation and exact self-energy operator. It is shown that IGF method gives a unified and natural approach for a calculation of the magnetic polaron states by taking explicitly into account the damping effects and finite lifetime. (author)

  6. Mathematical foundations of thermodynamics

    CERN Document Server

    Giles, R; Stark, M; Ulam, S

    2013-01-01

    Mathematical Foundations of Thermodynamics details the core concepts of the mathematical principles employed in thermodynamics. The book discusses the topics in a way that physical meanings are assigned to the theoretical terms. The coverage of the text includes the mechanical systems and adiabatic processes; topological considerations; and equilibrium states and potentials. The book also covers Galilean thermodynamics; symmetry in thermodynamics; and special relativistic thermodynamics. The book will be of great interest to practitioners and researchers of disciplines that deal with thermodyn

  7. Development of Advanced Continuum Models that Incorporate Nanomechanical Deformation into Engineering Analysis.

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, Jonathan A.; Jones, Reese E.; Templeton, Jeremy Alan; McDowell, David L.; Mayeur, Jason R.; Tucker, Garritt J.; Bammann, Douglas J.; Gao, Huajian

    2008-09-01

    Materials with characteristic structures at nanoscale sizes exhibit significantly different mechani-cal responses from those predicted by conventional, macroscopic continuum theory. For example,nanocrystalline metals display an inverse Hall-Petch effect whereby the strength of the materialdecreases with decreasing grain size. The origin of this effect is believed to be a change in defor-mation mechanisms from dislocation motion across grains and pileup at grain boundaries at mi-croscopic grain sizes to rotation of grains and deformation within grain boundary interface regionsfor nanostructured materials. These rotational defects are represented by the mathematical conceptof disclinations. The ability to capture these effects within continuum theory, thereby connectingnanoscale materials phenomena and macroscale behavior, has eluded the research community.The goal of our project was to develop a consistent theory to model both the evolution ofdisclinations and their kinetics. Additionally, we sought to develop approaches to extract contin-uum mechanical information from nanoscale structure to verify any developed continuum theorythat includes dislocation and disclination behavior. These approaches yield engineering-scale ex-pressions to quantify elastic and inelastic deformation in all varieties of materials, even those thatpossess highly directional bonding within their molecular structures such as liquid crystals, cova-lent ceramics, polymers and biological materials. This level of accuracy is critical for engineeringdesign and thermo-mechanical analysis is performed in micro- and nanosystems. The researchproposed here innovates on how these nanoscale deformation mechanisms should be incorporatedinto a continuum mechanical formulation, and provides the foundation upon which to develop ameans for predicting the performance of advanced engineering materials.4 AcknowledgmentThe authors acknowledge helpful discussions with Farid F. Abraham, Youping Chen, Terry J

  8. WATEQ3 geochemical model: thermodynamic data for several additional solids

    International Nuclear Information System (INIS)

    Krupka, K.M.; Jenne, E.A.

    1982-09-01

    Geochemical models such as WATEQ3 can be used to model the concentrations of water-soluble pollutants that may result from the disposal of nuclear waste and retorted oil shale. However, for a model to competently deal with these water-soluble pollutants, an adequate thermodynamic data base must be provided that includes elements identified as important in modeling these pollutants. To this end, several minerals and related solid phases were identified that were absent from the thermodynamic data base of WATEQ3. In this study, the thermodynamic data for the identified solids were compiled and selected from several published tabulations of thermodynamic data. For these solids, an accepted Gibbs free energy of formation, ΔG 0 /sub f,298/, was selected for each solid phase based on the recentness of the tabulated data and on considerations of internal consistency with respect to both the published tabulations and the existing data in WATEQ3. For those solids not included in these published tabulations, Gibbs free energies of formation were calculated from published solubility data (e.g., lepidocrocite), or were estimated (e.g., nontronite) using a free-energy summation method described by Mattigod and Sposito (1978). The accepted or estimated free energies were then combined with internally consistent, ancillary thermodynamic data to calculate equilibrium constants for the hydrolysis reactions of these minerals and related solid phases. Including these values in the WATEQ3 data base increased the competency of this geochemical model in applications associated with the disposal of nuclear waste and retorted oil shale. Additional minerals and related solid phases that need to be added to the solubility submodel will be identified as modeling applications continue in these two programs

  9. EMPIRICAL PREDICTIONS FOR (SUB-)MILLIMETER LINE AND CONTINUUM DEEP FIELDS

    Energy Technology Data Exchange (ETDEWEB)

    Da Cunha, Elisabete; Walter, Fabian; Decarli, Roberto; Rix, Hans-Walter [Max-Planck-Institut fuer Astronomie, Koenigstuhl 17, D-69117 Heidelberg (Germany); Bertoldi, Frank [Argelander Institute for Astronomy, University of Bonn, Auf dem Huegel 71, D-53121 Bonn (Germany); Carilli, Chris [National Radio Astronomy Observatory, Pete V. Domenici Array Science Center, P.O. Box O, Socorro, NM 87801 (United States); Daddi, Emanuele; Elbaz, David; Sargent, Mark [Laboratoire AIM, CEA/DSM-CNRS-Universite Paris Diderot, Irfu/Service d' Astrophysique, CEA Saclay, Orme des Merisiers, F-91191 Gif-sur-Yvette Cedex (France); Ivison, Rob [UK Astronomy Technology Centre, Royal Observatory, Blackford Hill, Edinburgh EH9 3HJ (United Kingdom); Maiolino, Roberto [Cavendish Laboratory, University of Cambridge, 19 J.J. Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Riechers, Dominik [Astronomy Department, California Institute of Technology, MC 249-17, 1200 East California Boulevard, Pasadena, CA 91125 (United States); Smail, Ian [Institute for Computational Cosmology, Durham University, South Road, Durham DH1 3LE (United Kingdom); Weiss, Axel, E-mail: cunha@mpia.de [Max-Planck-Institut fuer Radioastronomie, Auf dem Huegel 69, D-53121 Bonn (Germany)

    2013-03-01

    Modern (sub-)millimeter/radio interferometers such as ALMA, JVLA, and the PdBI successor NOEMA will enable us to measure the dust and molecular gas emission from galaxies that have luminosities lower than the Milky Way, out to high redshifts and with unprecedented spatial resolution and sensitivity. This will provide new constraints on the star formation properties and gas reservoir in galaxies throughout cosmic times through dedicated deep field campaigns targeting the CO/[C II] lines and dust continuum emission in the (sub-)millimeter regime. In this paper, we present empirical predictions for such line and continuum deep fields. We base these predictions on the deepest available optical/near-infrared Advanced Camera for Surveys and NICMOS data on the Hubble Ultra Deep Field (over an area of about 12 arcmin{sup 2}). Using a physically motivated spectral energy distribution model, we fit the observed optical/near-infrared emission of 13,099 galaxies with redshifts up to z = 5, and obtain median-likelihood estimates of their stellar mass, star formation rate, dust attenuation, and dust luminosity. We combine the attenuated stellar spectra with a library of infrared emission models spanning a wide range of dust temperatures to derive statistical constraints on the dust emission in the infrared and (sub-)millimeter which are consistent with the observed optical/near-infrared emission in terms of energy balance. This allows us to estimate, for each galaxy, the (sub-)millimeter continuum flux densities in several ALMA, PdBI/NOEMA, and JVLA bands. As a consistency check, we verify that the 850 {mu}m number counts and extragalactic background light derived using our predictions are consistent with previous observations. Using empirical relations between the observed CO/[C II] line luminosities and the infrared luminosity of star-forming galaxies, we infer the luminosity of the CO(1-0) and [C II] lines from the estimated infrared luminosity of each galaxy in our sample

  10. Thermodynamics of Radiation Modes

    Science.gov (United States)

    Pina, Eduardo; de la Selva, Sara Maria Teresa

    2010-01-01

    We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…

  11. A New Perspective on Thermodynamics

    CERN Document Server

    Lavenda, Bernard H

    2010-01-01

    Dr. Bernard H. Lavenda has written A New Perspective on Thermodynamics to combine an old look at thermodynamics with a new foundation. The book presents a historical perspective, which unravels the current presentation of thermodynamics found in standard texts, and which emphasizes the fundamental role that Carnot played in the development of thermodynamics. A New Perspective on Thermodynamics will: Chronologically unravel the development of the principles of thermodynamics and how they were conceived by their discoverers Bring the theory of thermodynamics up to the present time and indicate areas of further development with the union of information theory and the theory of means and their inequalities. New areas include nonextensive thermodynamics, the thermodynamics of coding theory, multifractals, and strange attractors. Reintroduce important, yet nearly forgotten, teachings of N.L. Sardi Carnot Highlight conceptual flaws in timely topics such as endoreversible engines, finite-time thermodynamics, geometri...

  12. Thermodynamics and the structure of quantum theory

    International Nuclear Information System (INIS)

    Krumm, Marius; Müller, Markus P; Barnum, Howard; Barrett, Jonathan

    2017-01-01

    Despite its enormous empirical success, the formalism of quantum theory still raises fundamental questions: why is nature described in terms of complex Hilbert spaces, and what modifications of it could we reasonably expect to find in some regimes of physics? Here we address these questions by studying how compatibility with thermodynamics constrains the structure of quantum theory. We employ two postulates that any probabilistic theory with reasonable thermodynamic behaviour should arguably satisfy. In the framework of generalised probabilistic theories, we show that these postulates already imply important aspects of quantum theory, like self-duality and analogues of projective measurements, subspaces and eigenvalues. However, they may still admit a class of theories beyond quantum mechanics. Using a thought experiment by von Neumann, we show that these theories admit a consistent thermodynamic notion of entropy, and prove that the second law holds for projective measurements and mixing procedures. Furthermore, we study additional entropy-like quantities based on measurement probabilities and convex decomposition probabilities, and uncover a relation between one of these quantities and Sorkin’s notion of higher-order interference. (paper)

  13. Thermodynamic assessment of the Pb-Sr system

    Directory of Open Access Journals (Sweden)

    Zhang H.

    2017-01-01

    Full Text Available The Pb-Sr system has been critically reviewed and modeled by means of the CALPHAD (CALculation of PHAse Diagrams approach. It contains seven stoichiometric compounds, i.e. SrPb3, Sr3Pb5, Sr2Pb3, SrPb, Sr5Pb4, Sr5Pb3 and Sr2Pb, in which the SrPb3 and Sr2Pb phases melt congruently, and the other five phases form via peritectic reactions. The enthalpies of formation for the intermetallic compounds at 0 K are provided by first-principles calculations. The liquid, fcc and bcc phases are modeled as substitutional solution phases. Both Redlich-Kister and exponential polynomials are used to describe the excess Gibbs energy of the liquid. Two sets of self-consistent thermodynamic parameters are obtained by considering reliable experimental data and the computed enthalpies of formation. Comprehensive comparisons between the calculated and measured phase diagram and thermodynamic data show that the experimental information is satisfactorily accounted for by the present thermodynamic description.

  14. Contact symmetries and Hamiltonian thermodynamics

    International Nuclear Information System (INIS)

    Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.

    2015-01-01

    It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production

  15. Defining and testing a granular continuum element

    Energy Technology Data Exchange (ETDEWEB)

    Rycroft, Chris H.; Kamrin, Ken; Bazant, Martin Z.

    2007-12-03

    Continuum mechanics relies on the fundamental notion of amesoscopic volume "element" in which properties averaged over discreteparticles obey deterministic relationships. Recent work on granularmaterials suggests a continuum law may be inapplicable, revealinginhomogeneities at the particle level, such as force chains and slow cagebreaking. Here, we analyze large-scale Discrete-Element Method (DEM)simulations of different granular flows and show that a "granularelement" can indeed be defined at the scale of dynamical correlations,roughly three to five particle diameters. Its rheology is rather subtle,combining liquid-like dependence on deformation rate and solid-likedependence on strain. Our results confirm some aspects of classicalplasticity theory (e.g., coaxiality of stress and deformation rate),while contradicting others (i.e., incipient yield), and can guide thedevelopment of more realistic continuum models.

  16. German activities towards a thermodynamic reference data base

    Energy Technology Data Exchange (ETDEWEB)

    Herbert, H.J.; Hagemann, S. [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Braunschweig (Germany); Brendler, V. [Forschungszentrum Rossendorf, Institut fur Radiochemie, Dresden (Germany); Marquardt, Ch. [Forschungszentrum Karlsruhe, Institut fur Nukleare Entsorgung, Karlsruhe (Germany); Voigt, W. [Technische Univ. Bergakademie Freiberg, Freiberg (Germany); Wilhelm, S. [Colenco Power Engineering, Baden (Switzerland)

    2006-07-01

    Leading research centres in the field of radioactive waste disposal in Germany have decided to combine their efforts in order to achieve a common goal, the development of a comprehensive and consistent thermodynamic reference database. All the thermodynamic data needed for the modelling of geochemical near- and far field processes in the geological media for high level waste repositories presently under discussion in Germany (salt, clay, granite) shall be collected and qualified in a single database. The partners participating in the project are a group of experts, who are generating, collecting and evaluating thermodynamic data of all relevant radionuclides and matrix elements according to uniform previously established and internationally accepted criteria. Special attention will be given to complete documentation and traceability of all data entries in the database. Existing data from international databases such as those of NEA, NAGRA, YMP will be integrated. Ion interaction coefficients (SIT, Pitzer) needed for modelling in a high saline environment will be included also. (authors)

  17. German activities towards a thermodynamic reference data base

    International Nuclear Information System (INIS)

    Herbert, H.J.; Hagemann, S.; Brendler, V.; Marquardt, Ch.; Voigt, W.; Wilhelm, S.

    2006-01-01

    Leading research centres in the field of radioactive waste disposal in Germany have decided to combine their efforts in order to achieve a common goal, the development of a comprehensive and consistent thermodynamic reference database. All the thermodynamic data needed for the modelling of geochemical near- and far field processes in the geological media for high level waste repositories presently under discussion in Germany (salt, clay, granite) shall be collected and qualified in a single database. The partners participating in the project are a group of experts, who are generating, collecting and evaluating thermodynamic data of all relevant radionuclides and matrix elements according to uniform previously established and internationally accepted criteria. Special attention will be given to complete documentation and traceability of all data entries in the database. Existing data from international databases such as those of NEA, NAGRA, YMP will be integrated. Ion interaction coefficients (SIT, Pitzer) needed for modelling in a high saline environment will be included also. (authors)

  18. On the continuum mechanics approach for the analysis of single walled carbon nanotubes

    Science.gov (United States)

    Chaudhry, M. S.; Czekanski, A.

    2016-04-01

    Today carbon nanotubes have found various applications in structural, thermal and almost every field of engineering. Carbon nanotubes provide great strength, stiffness resilience properties. Evaluating the structural behavior of nanoscale materials is an important task. In order to understand the materialistic behavior of nanotubes, atomistic models provide a basis for continuum mechanics modelling. Although the properties of bulk materials are consistent with the size and depends mainly on the material but the properties when we are in Nano-range, continuously change with the size. Such models start from the modelling of interatomic interaction. Modelling and simulation has advantage of cost saving when compared with the experiments. So in this project our aim is to use a continuum mechanics model of carbon nanotubes from atomistic perspective and analyses some structural behaviors of nanotubes. It is generally recognized that mechanical properties of nanotubes are dependent upon their structural details. The properties of nanotubes vary with the varying with the interatomic distance, angular orientation, radius of the tube and many such parameters. Based on such models one can analyses the variation of young's modulus, strength, deformation behavior, vibration behavior and thermal behavior. In this study some of the structural behaviors of the nanotubes are analyzed with the help of continuum mechanics models. Using the properties derived from the molecular mechanics model a Finite Element Analysis of carbon nanotubes is performed and results are verified. This study provides the insight on continuum mechanics modelling of nanotubes and hence the scope to study the effect of various parameters on some structural behavior of nanotubes.

  19. Introduction to applied thermodynamics

    CERN Document Server

    Helsdon, R M; Walker, G E

    1965-01-01

    Introduction to Applied Thermodynamics is an introductory text on applied thermodynamics and covers topics ranging from energy and temperature to reversibility and entropy, the first and second laws of thermodynamics, and the properties of ideal gases. Standard air cycles and the thermodynamic properties of pure substances are also discussed, together with gas compressors, combustion, and psychrometry. This volume is comprised of 16 chapters and begins with an overview of the concept of energy as well as the macroscopic and molecular approaches to thermodynamics. The following chapters focus o

  20. Twenty lectures on thermodynamics

    CERN Document Server

    Buchdahl, H A

    2013-01-01

    Twenty Lectures on Thermodynamics is a course of lectures, parts of which the author has given various times over the last few years. The book gives the readers a bird's eye view of phenomenological and statistical thermodynamics. The book covers many areas in thermodynamics such as states and transition; adiabatic isolation; irreversibility; the first, second, third and Zeroth laws of thermodynamics; entropy and entropy law; the idea of the application of thermodynamics; pseudo-states; the quantum-static al canonical and grand canonical ensembles; and semi-classical gaseous systems. The text

  1. Eternal inflation and a thermodynamic treatment of Einstein's equations

    Energy Technology Data Exchange (ETDEWEB)

    Ghersi, José Tomás Gálvez [Facultad de Ciencias, Universidad Nacional de Ingeniería, Lima, Perú (Peru); Geshnizjani, Ghazal; Shandera, Sarah [Perimeter Institute for Theoretical Physics, Waterloo, Ontario (Canada); Piazza, Federico, E-mail: jotogalgher@gmail.com, E-mail: ggeshnizjani@perimeterinstitute.ca, E-mail: fpiazza@apc.univ-paris7.fr, E-mail: sshandera@perimeterinstitute.ca [PCCP and APC, CNRS (UMR7164), Université Denis Diderot Paris 7, Batiment Condorcet, 10 rue Alice Domon et Léonie Duquet, 75205 Paris (France)

    2011-06-01

    In pursuing the intriguing resemblance of the Einstein equations to thermodynamic equations, most sharply seen in systems possessing horizons, we suggest that eternal inflation of the stochastic type may be a fruitful phenomenon to explore. We develop a thermodynamic first law for quasi-de Sitter space, valid on the horizon of a single observer's Hubble patch and explore consistancy with previous proposals for horizons of various types in dynamic and static situations. We use this framework to demonstrate that for the local observer fluctuations of the type necessary for stochastic eternal inflation fall within the regime where the thermodynamic approach is believed to apply. This scenario is interesting because of suggestive parallels with black hole evaporation.

  2. Finite-size polyelectrolyte bundles at thermodynamic equilibrium

    Science.gov (United States)

    Sayar, M.; Holm, C.

    2007-01-01

    We present the results of extensive computer simulations performed on solutions of monodisperse charged rod-like polyelectrolytes in the presence of trivalent counterions. To overcome energy barriers we used a combination of parallel tempering and hybrid Monte Carlo techniques. Our results show that for small values of the electrostatic interaction the solution mostly consists of dispersed single rods. The potential of mean force between the polyelectrolyte monomers yields an attractive interaction at short distances. For a range of larger values of the Bjerrum length, we find finite-size polyelectrolyte bundles at thermodynamic equilibrium. Further increase of the Bjerrum length eventually leads to phase separation and precipitation. We discuss the origin of the observed thermodynamic stability of the finite-size aggregates.

  3. Thermodynamics aspects of noise-induced phase synchronization.

    Science.gov (United States)

    Pinto, Pedro D; Oliveira, Fernando A; Penna, André L A

    2016-05-01

    In this article, we present an approach for the thermodynamics of phase oscillators induced by an internal multiplicative noise. We analytically derive the free energy, entropy, internal energy, and specific heat. In this framework, the formulation of the first law of thermodynamics requires the definition of a synchronization field acting on the phase oscillators. By introducing the synchronization field, we have consistently obtained the susceptibility and analyzed its behavior. This allows us to characterize distinct phases in the system, which we have denoted as synchronized and parasynchronized phases, in analogy with magnetism. The system also shows a rich complex behavior, exhibiting ideal gas characteristics for low temperatures and susceptibility anomalies that are similar to those present in complex fluids such as water.

  4. Thermodynamics aspects of noise-induced phase synchronization

    Science.gov (United States)

    Pinto, Pedro D.; Oliveira, Fernando A.; Penna, André L. A.

    2016-05-01

    In this article, we present an approach for the thermodynamics of phase oscillators induced by an internal multiplicative noise. We analytically derive the free energy, entropy, internal energy, and specific heat. In this framework, the formulation of the first law of thermodynamics requires the definition of a synchronization field acting on the phase oscillators. By introducing the synchronization field, we have consistently obtained the susceptibility and analyzed its behavior. This allows us to characterize distinct phases in the system, which we have denoted as synchronized and parasynchronized phases, in analogy with magnetism. The system also shows a rich complex behavior, exhibiting ideal gas characteristics for low temperatures and susceptibility anomalies that are similar to those present in complex fluids such as water.

  5. SEACAS Theory Manuals: Part II. Nonlinear Continuum Mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Attaway, S.W.; Laursen, T.A.; Zadoks, R.I.

    1998-09-01

    This report summarizes the key continuum mechanics concepts required for the systematic prescription and numerical solution of finite deformation solid mechanics problems. Topics surveyed include measures of deformation appropriate for media undergoing large deformations, stress measures appropriate for such problems, balance laws and their role in nonlinear continuum mechanics, the role of frame indifference in description of large deformation response, and the extension of these theories to encompass two dimensional idealizations, structural idealizations, and rigid body behavior. There are three companion reports that describe the problem formulation, constitutive modeling, and finite element technology for nonlinear continuum mechanics systems.

  6. Crack layer theory

    Science.gov (United States)

    Chudnovsky, A.

    1987-01-01

    A damage parameter is introduced in addition to conventional parameters of continuum mechanics and consider a crack surrounded by an array of microdefects within the continuum mechanics framework. A system consisting of the main crack and surrounding damage is called crack layer (CL). Crack layer propagation is an irreversible process. The general framework of the thermodynamics of irreversible processes are employed to identify the driving forces (causes) and to derive the constitutive equation of CL propagation, that is, the relationship between the rates of the crack growth and damage dissemination from one side and the conjugated thermodynamic forces from another. The proposed law of CL propagation is in good agreement with the experimental data on fatigue CL propagation in various materials. The theory also elaborates material toughness characterization.

  7. Thermodynamic data for uranium fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Leitnaker, J.M.

    1983-03-01

    Self-consistent thermodynamic data have been tabulated for uranium fluorides between UF/sub 4/ and UF/sub 6/, including UF/sub 4/ (solid and gas), U/sub 4/F/sub 17/ (solid), U/sub 2/F/sub 9/ (solid), UF/sub 5/ (solid and gas), U/sub 2/F/sub 10/ (gas), and UF/sub 6/ (solid, liquid, and gas). Included are thermal function - the heat capacity, enthalpy, and free energy function, heats of formation, and vaporization behavior.

  8. Thermodynamic holography

    Science.gov (United States)

    Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao

    2015-01-01

    The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics. PMID:26478214

  9. Influence of gyroradius and dissipation on the Alfven-wave continuum

    International Nuclear Information System (INIS)

    Connor, J.W.; Tang, W.M.; Taylor, J.B.

    1982-01-01

    It is well known that in ideal magnetohydrodynamics there is a continuous spectrum of real frequencies associated with a singularity of the shear Alfven waves on the surface k/sub parallel to/v/sub A/ = omega. It is also known that the introduction of first-order gyroradius effects eliminates the continuum. In the present work we examine the influence of the full gyroradius response and of dissipation on the continuum. In the absence of dissipation we first confirm that if only first-order gyroradius effects are incorporated, the continuum disappears. However, when the full gyroradius response is included, this discrete spectrum vanishes, and a new continuum (associated with singularities at k/sub parallel to/v/sub A/ = 0) appears. The introduction of collisional dissipation removes the original MHD continuum leaving discrete modes whose frequency tends to zero with the collision rate as ν/sup 1/3/. collisions also remove the new continuum of the full gyroradius model leaving discrete modes whose frequency tends to zero as (log ν) -1 . Collisionless Landau damping has a similar effect

  10. Critical evaluation and thermodynamic optimization of the U-Pb and U-Sb binary systems

    International Nuclear Information System (INIS)

    Wang, Jian; Jin, Liling; Chen, Chuchu; Rao, Weifeng; Wang, Cuiping; Liu, Xingjun

    2016-01-01

    A complete literature review, critical evaluation and thermodynamic optimization of the phase diagrams and thermodynamic properties of U-Pb and U-Sb binary systems are presented. The CALculation of PHAse Diagrams (CALPHAD) method was used for the thermodynamic optimization, the results of which can reproduce all available reliable experimental phase equilibria and thermodynamic data. The modified quasi-chemical model in the pair approximation (MQMPA) was used for modeling the liquid solution. The Gibbs energies of all terminal solid solutions and intermetallic compounds were described by the compound energy formalism (CEF) model. All reliable experimental data of the U-Pb and U-Sb systems have been reproduced. A self-consistent thermodynamic database has been constructed for these binary systems; this database can be used in liquid-metal fuel reactor (LMFR) research.

  11. Advanced classical thermodynamics

    International Nuclear Information System (INIS)

    Emanuel, G.

    1987-01-01

    The theoretical and mathematical foundations of thermodynamics are presented in an advanced text intended for graduate engineering students. Chapters are devoted to definitions and postulates, the fundamental equation, equilibrium, the application of Jacobian theory to thermodynamics, the Maxwell equations, stability, the theory of real gases, critical-point theory, and chemical thermodynamics. Diagrams, graphs, tables, and sample problems are provided. 38 references

  12. Nonlocal effects in nonisothermal hydrodynamics from the perspective of beyond-equilibrium thermodynamics.

    Science.gov (United States)

    Hütter, Markus; Brader, Joseph M

    2009-06-07

    We examine the origins of nonlocality in a nonisothermal hydrodynamic formulation of a one-component fluid of particles that exhibit long-range correlations, e.g., due to a spherically symmetric, long-range interaction potential. In order to furnish the continuum modeling with physical understanding of the microscopic interactions and dynamics, we make use of systematic coarse graining from the microscopic to the continuum level. We thus arrive at a thermodynamically admissible and closed set of evolution equations for the densities of momentum, mass, and internal energy. From the consideration of an illustrative special case, the following main conclusions emerge. There are two different source terms in the momentum balance. The first is a body force, which in special circumstances can be related to the functional derivative of a nonlocal Helmholtz free energy density with respect to the mass density. The second source term is proportional to the temperature gradient, multiplied by the nonlocal entropy density. These two source terms combine into a pressure gradient only in the absence of long-range effects. In the irreversible contributions to the time evolution, the nonlocal contributions arise since the self-correlations of the stress tensor and heat flux, respectively, are nonlocal as a result of the microscopic nonlocal correlations. Finally, we point out specific points that warrant further discussions.

  13. A Behavioral Continuum: A Look at Personality Disorders.

    Science.gov (United States)

    Harris, George; Kirk, Nancy A.

    1985-01-01

    Suggests that narcissistic, borderline, and antisocial personality disorders are not discrete diagnostic categories, but that they lie along a continuum and have in common the dimensions of degree of self-centeredness and degree of differentiation. Presents evidence supporting existence of continuum of behavior rather than discrete diagnostic…

  14. Fluctuating Thermodynamics for Biological Processes

    Science.gov (United States)

    Ham, Sihyun

    Because biomolecular processes are largely under thermodynamic control, dynamic extension of thermodynamics is necessary to uncover the mechanisms and driving factors of fluctuating processes. The fluctuating thermodynamics technology presented in this talk offers a practical means for the thermodynamic characterization of conformational dynamics in biomolecules. The use of fluctuating thermodynamics has the potential to provide a comprehensive picture of fluctuating phenomena in diverse biological processes. Through the application of fluctuating thermodynamics, we provide a thermodynamic perspective on the misfolding and aggregation of the various proteins associated with human diseases. In this talk, I will present the detailed concepts and applications of the fluctuating thermodynamics technology for elucidating biological processes. This work was supported by Samsung Science and Technology Foundation under Project Number SSTF-BA1401-13.

  15. Computer codes used in the calculation of high-temperature thermodynamic properties of sodium

    International Nuclear Information System (INIS)

    Fink, J.K.

    1979-12-01

    Three computer codes - SODIPROP, NAVAPOR, and NASUPER - were written in order to calculate a self-consistent set of thermodynamic properties for saturated, subcooled, and superheated sodium. These calculations incorporate new critical parameters (temperature, pressure, and density) and recently derived single equations for enthalpy and vapor pressure. The following thermodynamic properties have been calculated in these codes: enthalpy, heat capacity, entropy, vapor pressure, heat of vaporization, density, volumetric thermal expansion coefficient, compressibility, and thermal pressure coefficient. In the code SODIPROP, these properties are calculated for saturated and subcooled liquid sodium. Thermodynamic properties of saturated sodium vapor are calculated in the code NAVAPOR. The code NASUPER calculates thermodynamic properties for super-heated sodium vapor only for low (< 1644 K) temperatures. No calculations were made for the supercritical region

  16. Thermodynamics of nuclear materials

    International Nuclear Information System (INIS)

    1979-01-01

    Full text: The science of chemical thermodynamics has substantially contributed to the understanding of the many problems encountered in nuclear and reactor technology. These problems include reaction of materials with their surroundings and chemical and physical changes of fuels. Modern reactor technology, by its very nature, has offered new fields of investigations for the scientists and engineers concerned with the design of nuclear fuel elements. Moreover, thermodynamics has been vital in predicting the behaviour of new materials for fission as well as fusion reactors. In this regard, the Symposium was organized to provide a mechanism for review and discussion of recent thermodynamic investigations of nuclear materials. The Symposium was held in the Juelich Nuclear Research Centre, at the invitation of the Government of the Federal Republic of Germany. The International Atomic Energy Agency has given much attention to the thermodynamics of nuclear materials, as is evidenced by its sponsorship of four international symposia in 1962, 1965, 1967, and 1974. The first three meetings were primarily concerned with the fundamental thermodynamics of nuclear materials; as with the 1974 meeting, this last Symposium was primarily aimed at the thermodynamic behaviour of nuclear materials in actual practice, i.e., applied thermodynamics. Many advances have been made since the 1974 meeting, both in fundamental and applied thermodynamics of nuclear materials, and this meeting provided opportunities for an exchange of new information on this topic. The Symposium dealt in part with the thermodynamic analysis of nuclear materials under conditions of high temperatures and a severe radiation environment. Several sessions were devoted to the thermodynamic studies of nuclear fuels and fission and fusion reactor materials under adverse conditions. These papers and ensuing discussions provided a better understanding of the chemical behaviour of fuels and materials under these

  17. Horizon thermodynamics and gravitational field equations in Horava-Lifshitz gravity

    International Nuclear Information System (INIS)

    Cai Ronggen; Ohta, Nobuyoshi

    2010-01-01

    We explore the relationship between the first law of thermodynamics and gravitational field equation at a static, spherically symmetric black hole horizon in Horava-Lifshitz theory with/without detailed balance. It turns out that as in the cases of Einstein gravity and Lovelock gravity, the gravitational field equation can be cast to a form of the first law of thermodynamics at the black hole horizon. This way we obtain the expressions for entropy and mass in terms of black hole horizon, consistent with those from other approaches. We also define a generalized Misner-Sharp energy for static, spherically symmetric spacetimes in Horava-Lifshitz theory. The generalized Misner-Sharp energy is conserved in the case without matter field, and its variation gives the first law of black hole thermodynamics at the black hole horizon.

  18. Self-consistent calculation of 208Pb spectrum

    International Nuclear Information System (INIS)

    Pal'chik, V.V.; Pyatov, N.I.; Fayans, S.A.

    1981-01-01

    The self-consistent model with exact accounting for one-particle continuum is applied to calculate all discrete particle-hole natural parity states with 2 208 Pb nucleus (up to the neutron emission threshold, 7.4 MeV). Contributions to the energy-weighted sum rules S(EL) of the first collective levels and total contributions of all discrete levels are evaluated. Most strongly the collectivization is manifested for octupole states. With multipolarity growth L contributions of discrete levels are sharply reduced. The results are compared with other models and the experimental data obtained in (e, e'), (p, p') reactions and other data [ru

  19. Thermodynamic treatment of nonphysical systems: formalism and an example (single-lane traffic)

    International Nuclear Information System (INIS)

    Reiss, H.; Hammerich, A.D.; Montroll, E.W.

    1986-01-01

    An effort is made to introduce thermodynamic and statistical thermodynamic methods into the treatment of nonphysical (e.g., social, economic, etc.) systems. Emphasis is placed on the use of the entire thermodynamic framework, not merely entropy. Entropy arises naturally, related in a simple manner to other measurables, but does not occupy a primary position in the theory. However, the maximum entropy formalism is a convenient procedure for deriving the thermodynamic analog framework in which undetermined multipliers are thermodynamic-like variables which summarize the collective behavior of the system. The authors discuss the analysis of Levine and his coworkers showing that the maximum entropy formalism is the unique algorithm for achieving consistent inference of probabilities. The thermodynamic-like formalism for treating a single lane of vehicular traffic is developed and applied to traffic in which the interaction between cars is chosen to be a particular form of the ''follow-the-leader'' type. The equation of state of the traffic, the distributions of velocity and headway, and the various thermodynamic-like parameters, e.g., temperature (collective sensitivity), pressure, etc. are determined for the example of the Holland Tunnel. Nearest-neighbor and pair correlation functions for the vehicles are also determined. Interesting and suggestive results are obtained

  20. Teaching Continuum Mechanics in a Mechanical Engineering Program

    Science.gov (United States)

    Liu, Yucheng

    2011-01-01

    This paper introduces a graduate course, continuum mechanics, which is designed for and taught to graduate students in a Mechanical Engineering (ME) program. The significance of continuum mechanics in engineering education is demonstrated and the course structure is described. Methods used in teaching this course such as topics, class…

  1. The CO2 absorption spectrum in the 2.3 μm transparency window by high sensitivity CRDS: (II) Self-absorption continuum

    Science.gov (United States)

    Mondelain, D.; Vasilchenko, S.; Čermák, P.; Kassi, S.; Campargue, A.

    2017-01-01

    The CO2 absorption continuum near 2.3 μm is determined for a series of sub atmospheric pressures (250-750 Torr) by high sensitivity Cavity Ring Down Spectroscopy. An experimental procedure consisting in injecting successively a gas flow of CO2 and synthetic air, keeping constant the gas pressure in the CRDS cell, has been developed. This procedure insures a high stability of the spectra baseline by avoiding changes of the optical alignment due to pressure changes. The CO2 continuum was obtained as the difference between the CO2 absorption coefficient and a local lines simulation using a Voigt profile truncated at ±25 cm-1. Following the results of the preceding analysis of the CO2 rovibrational lines (Vasilchenko S et al. J Quant Spectrosc Radiat Transfer 10.1016/j.jqsrt.2016.07.002, a CO2 line list with intensities obtained by variational calculations and empirical line positions was preferred to the HITRAN line list. A quadratic pressure dependence of the absorption continuum is observed, with an average binary absorption coefficient increasing from 2 to 4×10-8 cm-1 amagat-2 between 4320 and 4380 cm-1. The obtained continuum is found in good agreement with a previous measurement using much higher densities (20 amagat) and a low resolution grating spectrograph and is consistent with values currently used in the analysis of Venus spectra.

  2. Thermodynamics-based Metabolite Sensitivity Analysis in metabolic networks.

    Science.gov (United States)

    Kiparissides, A; Hatzimanikatis, V

    2017-01-01

    The increasing availability of large metabolomics datasets enhances the need for computational methodologies that can organize the data in a way that can lead to the inference of meaningful relationships. Knowledge of the metabolic state of a cell and how it responds to various stimuli and extracellular conditions can offer significant insight in the regulatory functions and how to manipulate them. Constraint based methods, such as Flux Balance Analysis (FBA) and Thermodynamics-based flux analysis (TFA), are commonly used to estimate the flow of metabolites through genome-wide metabolic networks, making it possible to identify the ranges of flux values that are consistent with the studied physiological and thermodynamic conditions. However, unless key intracellular fluxes and metabolite concentrations are known, constraint-based models lead to underdetermined problem formulations. This lack of information propagates as uncertainty in the estimation of fluxes and basic reaction properties such as the determination of reaction directionalities. Therefore, knowledge of which metabolites, if measured, would contribute the most to reducing this uncertainty can significantly improve our ability to define the internal state of the cell. In the present work we combine constraint based modeling, Design of Experiments (DoE) and Global Sensitivity Analysis (GSA) into the Thermodynamics-based Metabolite Sensitivity Analysis (TMSA) method. TMSA ranks metabolites comprising a metabolic network based on their ability to constrain the gamut of possible solutions to a limited, thermodynamically consistent set of internal states. TMSA is modular and can be applied to a single reaction, a metabolic pathway or an entire metabolic network. This is, to our knowledge, the first attempt to use metabolic modeling in order to provide a significance ranking of metabolites to guide experimental measurements. Copyright © 2016 International Metabolic Engineering Society. Published by Elsevier

  3. Thermodynamic properties of lithium hydride, lithium deuteride, lithium tritide, and their solutions with lithium

    International Nuclear Information System (INIS)

    Shpil'rain, E.E.; Yakimovich, K.A.

    1981-01-01

    The paper reviews briefly experimental determinations of thermodynamic properties of the LiH-Li system. Relationships fitted to the experimental data are presented and discussed, with the aim of determining a consistent set of thermodynamic properties (enthalpy, heat capacity) for the systems Li-(LiH, LiD, LiT) in the solid state and in the melt. (author)

  4. Atmospheric thermodynamics

    CERN Document Server

    Iribarne, J V

    1973-01-01

    The thermodynamics of the atmosphere is the subject of several chapters in most textbooks on dynamic meteorology, but there is no work in English to give the subject a specific and more extensive treatment. In writing the present textbook, we have tried to fill this rather remarkable gap in the literature related to atmospheric sciences. Our aim has been to provide students of meteorology with a book that can playa role similar to the textbooks on chemical thermodynamics for the chemists. This implies a previous knowledge of general thermodynamics, such as students acquire in general physics courses; therefore, although the basic principles are reviewed (in the first four chapters), they are only briefly discussed, and emphasis is laid on those topics that will be useful in later chapters, through their application to atmospheric problems. No attempt has been made to introduce the thermodynamics of irreversible processes; on the other hand, consideration of heterogeneous and open homogeneous systems permits a...

  5. Fe-solubility of Ni7S6 and Ni9S8: Thermodynamic analysis

    International Nuclear Information System (INIS)

    Waldner, P.

    2011-01-01

    Experimental data on phase equilibria have been used for thermodynamic analysis of the iron solubility of the nickel sulfides Ni 7 S 6 and Ni 9 S 8 . For both compounds, a two-sublattice approach within the framework of the compound energy formalism has been applied to perform Gibbs free energy modelling at 0.1 MPa total pressure consistently embedded in recent thermodynamic assessment studies of other iron-nickel-sulfides. The predicted maxima of iron solubility around 3 at% of Ni 7 S 6 and 5.5 at% of Ni 9 S 8 are confirmed by experimental data. The calculations of complex ternary phase relations with Fe-bearing Ni 7 S 6 and Ni 9 S 8 gain further improvement. The first internally consistent description of all thermodynamically stable phases known in the literature for the iron-nickel-sulfur system is completed.

  6. The Co-creation Continuum

    DEFF Research Database (Denmark)

    Ind, Nicholas; Iglesias, Oriol; Markovic, Stefan

    2017-01-01

    -creation - from tactical market research tool to strategic collaborative innovation method, and shows that brands can be positioned along a continuum between these two polarities. This article also presents the implications for those that want to seize the potential of co-creation....

  7. Effects of continuum breakdown on hypersonic aerothermodynamics for reacting flow

    Science.gov (United States)

    Holman, Timothy D.; Boyd, Iain D.

    2011-02-01

    This study investigates the effects of continuum breakdown on the surface aerothermodynamic properties (pressure, stress, and heat transfer rate) of a sphere in a Mach 25 flow of reacting air in regimes varying from continuum to a rarefied gas. Results are generated using both continuum [computational fluid dynamics (CFD)] and particle [direct simulation Monte Carlo (DSMC)] approaches. The DSMC method utilizes a chemistry model that calculates the backward rates from an equilibrium constant. A preferential dissociation model is modified in the CFD method to better compare with the vibrationally favored dissociation model that is utilized in the DSMC method. Tests of these models are performed to confirm their validity and to compare the chemistry models in both numerical methods. This study examines the effect of reacting air flow on continuum breakdown and the surface properties of the sphere. As the global Knudsen number increases, the amount of continuum breakdown in the flow and on the surface increases. This increase in continuum breakdown significantly affects the surface properties, causing an increase in the differences between CFD and DSMC. Explanations are provided for the trends observed.

  8. Gravity as a thermodynamic phenomenon

    OpenAIRE

    Moustos, Dimitris

    2017-01-01

    The analogy between the laws of black hole mechanics and the laws of thermodynamics led Bekenstein and Hawking to argue that black holes should be considered as real thermodynamic systems that are characterised by entropy and temperature. Black hole thermodynamics indicates a deeper connection between thermodynamics and gravity. We review and examine in detail the arguments that suggest an interpretation of gravity itself as a thermodynamic theory.

  9. Bursts and shocks in a continuum shell model

    DEFF Research Database (Denmark)

    Andersen, Ken Haste; Bohr, Tomas; Jensen, M.H.

    1998-01-01

    We study a burst event, i.e., the evolution of an initial condition having support only in a finite interval of k-space, in the continuum shell model due to Parisi. We show that the continuum equation without forcing or dissipation can be explicitly written in characteristic form and that the right...

  10. Development of thermodynamic databases for geochemical calculations

    Energy Technology Data Exchange (ETDEWEB)

    Arthur, R.C. [Monitor Scientific, L.L.C., Denver, Colorado (United States); Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu [Japan Nuclear Cycle Development Inst., Tokai, Ibaraki (Japan); Neyama, Atsushi [Computer Software Development Corp., Tokyo (Japan)

    1999-09-01

    Two thermodynamic databases for geochemical calculations supporting research and development on geological disposal concepts for high level radioactive waste are described in this report. One, SPRONS.JNC, is compatible with thermodynamic relations comprising the SUPCRT model and software, which permits calculation of the standard molal and partial molal thermodynamic properties of minerals, gases, aqueous species and reactions from 1 to 5000 bars and 0 to 1000degC. This database includes standard molal Gibbs free energies and enthalpies of formation, standard molal entropies and volumes, and Maier-Kelly heat capacity coefficients at the reference pressure (1 bar) and temperature (25degC) for 195 minerals and 16 gases. It also includes standard partial molal Gibbs free energies and enthalpies of formation, standard partial molal entropies, and Helgeson, Kirkham and Flowers (HKF) equation-of-state coefficients at the reference pressure and temperature for 1147 inorganic and organic aqueous ions and complexes. SPRONS.JNC extends similar databases described elsewhere by incorporating new and revised data published in the peer-reviewed literature since 1991. The other database, PHREEQE.JNC, is compatible with the PHREEQE series of geochemical modeling codes. It includes equilibrium constants at 25degC and l bar for mineral-dissolution, gas-solubility, aqueous-association and oxidation-reduction reactions. Reaction enthalpies, or coefficients in an empirical log K(T) function, are also included in this database, which permits calculation of equilibrium constants between 0 and 100degC at 1 bar. All equilibrium constants, reaction enthalpies, and log K(T) coefficients in PHREEQE.JNC are calculated using SUPCRT and SPRONS.JNC, which ensures that these two databases are mutually consistent. They are also internally consistent insofar as all the data are compatible with basic thermodynamic definitions and functional relations in the SUPCRT model, and because primary

  11. Development of thermodynamic databases for geochemical calculations

    International Nuclear Information System (INIS)

    Arthur, R.C.; Sasamoto, Hiroshi; Shibata, Masahiro; Yui, Mikazu; Neyama, Atsushi

    1999-09-01

    Two thermodynamic databases for geochemical calculations supporting research and development on geological disposal concepts for high level radioactive waste are described in this report. One, SPRONS.JNC, is compatible with thermodynamic relations comprising the SUPCRT model and software, which permits calculation of the standard molal and partial molal thermodynamic properties of minerals, gases, aqueous species and reactions from 1 to 5000 bars and 0 to 1000degC. This database includes standard molal Gibbs free energies and enthalpies of formation, standard molal entropies and volumes, and Maier-Kelly heat capacity coefficients at the reference pressure (1 bar) and temperature (25degC) for 195 minerals and 16 gases. It also includes standard partial molal Gibbs free energies and enthalpies of formation, standard partial molal entropies, and Helgeson, Kirkham and Flowers (HKF) equation-of-state coefficients at the reference pressure and temperature for 1147 inorganic and organic aqueous ions and complexes. SPRONS.JNC extends similar databases described elsewhere by incorporating new and revised data published in the peer-reviewed literature since 1991. The other database, PHREEQE.JNC, is compatible with the PHREEQE series of geochemical modeling codes. It includes equilibrium constants at 25degC and l bar for mineral-dissolution, gas-solubility, aqueous-association and oxidation-reduction reactions. Reaction enthalpies, or coefficients in an empirical log K(T) function, are also included in this database, which permits calculation of equilibrium constants between 0 and 100degC at 1 bar. All equilibrium constants, reaction enthalpies, and log K(T) coefficients in PHREEQE.JNC are calculated using SUPCRT and SPRONS.JNC, which ensures that these two databases are mutually consistent. They are also internally consistent insofar as all the data are compatible with basic thermodynamic definitions and functional relations in the SUPCRT model, and because primary

  12. Lyman continuum observations of solar flares

    Science.gov (United States)

    Machado, M. E.; Noyes, R. W.

    1978-01-01

    A study is made of Lyman continuum observations of solar flares, using data obtained by the EUV spectroheliometer on the Apollo Telescope Mount. It is found that there are two main types of flare regions: an overall 'mean' flare coincident with the H-alpha flare region, and transient Lyman continuum kernels which can be identified with the H-alpha and X-ray kernels observed by other authors. It is found that the ground level hydrogen population in flares is closer to LTE than in the quiet sun and active regions, and that the level of Lyman continuum formation is lowered in the atmosphere from a mass column density .000005 g/sq cm in the quiet sun to .0003 g/sq cm in the mean flare, and to .001 g/sq cm in kernels. From these results the amount of chromospheric material 'evaporated' into the high temperature region is derived, which is found to be approximately 10 to the 15th g, in agreement with observations of X-ray emission measures.

  13. Thermodynamic modeling of the Eu–Te and Te–Yb systems

    Energy Technology Data Exchange (ETDEWEB)

    Ghamri, H., E-mail: ghamri.houda@hotmail.fr; Djaballah, Y.; Belgacem-Bouzida, A.

    2015-09-15

    Highlights: • The Eu–Te and Te–Yb binary systems were not previously thermodynamically assessed. • The Eu–Te and Te–Yb systems were assessed by using the CALPHAD technique. • A coherent set of thermodynamic parameters was obtained for both systems. • An agreement between the calculated results and experimental data was obtained for both systems. - Abstract: In this work, thermodynamic assessments of the Eu–Te and Te–Yb binary systems were carried out by using the CALculation of PHase Diagrams (CALPHAD) method based on the available experimental data including thermodynamic properties and phase equilibria. Reasonable models were constructed for all the phases of the two systems. The liquid phases were described by the substitutional solution model with the Redlich–Kister polynomial. The three intermetallic compounds, Eu{sub 4}Te{sub 7}, Eu{sub 3}Te{sub 7} and TeYb in the two systems, were treated as stoichiometric phases, while the non-stoichiometric phase (EuTe), which has an homogeneity range, was treated by a two-sublattice model following the schema: (Eu,Te){sub 0.5}(Te){sub 0.5}. A consistent set of thermodynamic parameters leading to reasonable agreement between the calculated results and experimental data was obtained.

  14. Thermodynamic estimation: Ionic materials

    International Nuclear Information System (INIS)

    Glasser, Leslie

    2013-01-01

    Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy

  15. Tables of thermodynamic properties of helium magnet coolant

    International Nuclear Information System (INIS)

    McAshan, M.

    1992-07-01

    The most complete treatment of the thermodynamic properties of helium at the present time is the monograph by McCarty: ''Thermodynamic Properties of Helium 4 from 2 to 1500 K at Pressures to 10 8 Pa'', Robert D. McCarty, Journal of Physical and Chemical Reference Data, Vol. 2, page 923--1040 (1973). In this work the complete range of data on helium is examined and the P-V-T surface is described by an equation of state consisting of three functions P(r,T) covering different regions together with rules for making the transition from one region to another. From this thermodynamic compilation together with correlations of the transport properties of helium was published the well-known NBS Technical Note: ''Thermophysical Properties of Helium 4 from 2 to 1500 K with pressures to 1000 Atmospheres'', Robert D. McCarty, US Department of Commerce, National Bureau of Standards Technical Note 631 (1972). This is the standard reference for helium cryogenics. The NBS 631 tables cover a wide range of temperature and pressure, and as a consequence, the number of points tabulated in the region of the single phase coolant for the SSC magnets are relatively few. The present work sets out to cover the range of interest in more detail in a way that is consistent with NBS 631. This new table is essentially identical to the older one and can be used as an auxiliary to it

  16. A Coupling Tool for Parallel Molecular Dynamics-Continuum Simulations

    KAUST Repository

    Neumann, Philipp; Tchipev, Nikola

    2012-01-01

    We present a tool for coupling Molecular Dynamics and continuum solvers. It is written in C++ and is meant to support the developers of hybrid molecular - continuum simulations in terms of both realisation of the respective coupling algorithm

  17. Geometric continuum regularization of quantum field theory

    International Nuclear Information System (INIS)

    Halpern, M.B.

    1989-01-01

    An overview of the continuum regularization program is given. The program is traced from its roots in stochastic quantization, with emphasis on the examples of regularized gauge theory, the regularized general nonlinear sigma model and regularized quantum gravity. In its coordinate-invariant form, the regularization is seen as entirely geometric: only the supermetric on field deformations is regularized, and the prescription provides universal nonperturbative invariant continuum regularization across all quantum field theory. 54 refs

  18. The CO_2 absorption spectrum in the 2.3 µm transparency window by high sensitivity CRDS: (II) Self-absorption continuum

    International Nuclear Information System (INIS)

    Mondelain, D.; Vasilchenko, S.; Čermák, P.; Kassi, S.; Campargue, A.

    2017-01-01

    The CO_2 absorption continuum near 2.3 µm is determined for a series of sub atmospheric pressures (250–750 Torr) by high sensitivity Cavity Ring Down Spectroscopy. An experimental procedure consisting in injecting successively a gas flow of CO_2 and synthetic air, keeping constant the gas pressure in the CRDS cell, has been developed. This procedure insures a high stability of the spectra baseline by avoiding changes of the optical alignment due to pressure changes. The CO_2 continuum was obtained as the difference between the CO_2 absorption coefficient and a local lines simulation using a Voigt profile truncated at ±25 cm"−"1. Following the results of the preceding analysis of the CO_2 rovibrational lines (Vasilchenko S et al. J Quant Spectrosc Radiat Transfer (10.1016/j.jqsrt.2016.07.002), a CO_2 line list with intensities obtained by variational calculations and empirical line positions was preferred to the HITRAN line list. A quadratic pressure dependence of the absorption continuum is observed, with an average binary absorption coefficient increasing from 2 to 4×10"−"8 cm"−"1 amagat"−"2 between 4320 and 4380 cm"−"1. The obtained continuum is found in good agreement with a previous measurement using much higher densities (20 amagat) and a low resolution grating spectrograph and is consistent with values currently used in the analysis of Venus spectra. - Highlights: • The CO_2 absorption continuum is measured by CRDS in the 2.3 µm window. • The achieved sensitivity and stability allow measurements at sub-atmospheric pressure. • The absorption coefficient is on the order of 3×10"−"8 cm"−"1 amagat"−"2 near 4350 cm"−"1. • A good agreement is obtained with previous results at much higher density (20 amagat).

  19. Phase equilibria and thermodynamic functions for Ag–Hg and Cu–Hg binary systems

    International Nuclear Information System (INIS)

    Liu, Yajun; Wang, Guan; Wang, Jiang; Chen, Yang; Long, Zhaohui

    2012-01-01

    Highlights: ► The thermodynamic properties of Ag–Hg and Cu–Hg are explored in order to facilitate dental materials design. ► A self-consistent set of thermodynamic parameters is obtained. ► The experimental information can be well reproduced by the optimized thermodynamic data. - Abstract: In order to facilitate the computational design of new amalgams for novel dental alloys, the phase equilibria, phase diagrams and thermodynamic functions for Ag–Hg and Cu–Hg binary systems are explored in this work, based on the CALPHAD framework and experimental characterizations. The Gibbs free energies of the solution phases as well as the stoichiometric phases are calculated, with the aid of enthalpies of mixing, activities, enthalpies of formation, and phase equilibrium data. The thermodynamic descriptions provided in this work enable the stabilities of each phase at various temperatures and compositions to be well described, which contribute to the establishment of a general database to design novel metallic dental materials.

  20. Phase equilibria and thermodynamic functions for Ag-Hg and Cu-Hg binary systems

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Yajun, E-mail: yajunliu@gatech.edu [School of Materials and Energy, Guangdong University of Technology, Guangzhou, Guangdong 510006 (China); Wang, Guan [School of Electromechanical Engineering, Guangdong University of Technology, Guangzhou, Guangdong 510006 (China); Wang, Jiang [School of Materials Science and Engineering, Guilin University of Electronic Technology, Guilin, Guangxi 541004 (China); Chen, Yang [Mining, Metallurgy and Materials Research Department, General Research Institute for Nonferrous Metals, Beijing 100088 (China); Long, Zhaohui [School of Mechanical Engineering, Xiangtan University, Xiangtan, Hunan 411105 (China)

    2012-11-10

    Highlights: Black-Right-Pointing-Pointer The thermodynamic properties of Ag-Hg and Cu-Hg are explored in order to facilitate dental materials design. Black-Right-Pointing-Pointer A self-consistent set of thermodynamic parameters is obtained. Black-Right-Pointing-Pointer The experimental information can be well reproduced by the optimized thermodynamic data. - Abstract: In order to facilitate the computational design of new amalgams for novel dental alloys, the phase equilibria, phase diagrams and thermodynamic functions for Ag-Hg and Cu-Hg binary systems are explored in this work, based on the CALPHAD framework and experimental characterizations. The Gibbs free energies of the solution phases as well as the stoichiometric phases are calculated, with the aid of enthalpies of mixing, activities, enthalpies of formation, and phase equilibrium data. The thermodynamic descriptions provided in this work enable the stabilities of each phase at various temperatures and compositions to be well described, which contribute to the establishment of a general database to design novel metallic dental materials.

  1. Assessing continuum postulates in simulations of granular flow

    Energy Technology Data Exchange (ETDEWEB)

    Rycroft, Chris; Kamrin, Ken; Bazant, Martin

    2008-08-26

    Continuum mechanics relies on the fundamental notion of a mesoscopic volume"element" in which properties averaged over discrete particles obey deterministic relationships. Recent work on granular materials suggests a continuum law may be inapplicable, revealing inhomogeneities at the particle level, such as force chains and slow cage breaking. Here, we analyze large-scale three-dimensional Discrete-Element Method (DEM) simulations of different granular flows and show that an approximate"granular element" defined at the scale of observed dynamical correlations (roughly three to five particle diameters) has a reasonable continuum interpretation. By viewing all the simulations as an ensemble of granular elements which deform and move with the flow, we can track material evolution at a local level. Our results confirm some of the hypotheses of classical plasticity theory while contradicting others and suggest a subtle physical picture of granular failure, combining liquid-like dependence on deformation rate and solid-like dependence on strain. Our computational methods and results can be used to guide the development of more realistic continuum models, based on observed local relationships betweenaverage variables.

  2. One millimeter continuum observations of high redshift quasars

    International Nuclear Information System (INIS)

    Ennis, D.J.; Soifer, B.T.

    1981-01-01

    Upper limits to the one-millimeter continuum flux densities of the high redshift quasars B2 1225 + 31, Ton 490, and PHL 957 are presented. The upper limit to the power observed from these quasars at 1 mm is, on the average, one half of the observed power in the continuum at L-alpha. These observations are used to constrain the temperature of a hypothetical dust shell which reddens the quasar line and continuum emission by an extinction optical depth sufficient to account for the anomalously low L-alpha/H-alpha emission line ratio observed in each of these quasars. For the quasars studied, dust shell temperatures between 25 K and 50 to 95 K are prohibited by the present data. A dust shell at a temperature within this span reradiating all the power absorbed from the quasar ultraviolet continuum would produce a one-millimeter flux density greater than the measured upper limit. The average radius of the model dust shell cannot be between 70 kpc and 1 Mpc

  3. Thermodynamics of event horizons in (2+1)-dimensional gravity

    International Nuclear Information System (INIS)

    Reznik, B.

    1992-01-01

    Although gravity in 2+1 dimensions is very different in nature from gravity in 3+1 dimensions, it is shown that the laws of thermodynamics for event horizons can be manifested also for (2+1)-dimensional gravity. The validity of the classical laws of horizon mechanics is verified in general and exemplified for the (2+1)-dimensional analogues of Reissner-Nordstroem and Schwarzschild--de Sitter spacetimes. We find that the entropy is given by 1/4L, where L is the length of the horizon. A consequence of having consistent thermodynamics is that the second law fixes the sign of Newton's constant to be positive

  4. Classical or equilibrium thermodynamics: basic conceptual aspects

    Directory of Open Access Journals (Sweden)

    Luiz Augusto Calvo Tiritan

    2008-08-01

    Full Text Available The Classical or Equilibrium Thermodynamics is one of the most consolidated fields of Physics. It is synthesized by a well-known and self coherent knowledge structure. The essence of the Classical Thermodynamics theoretical structure consists of a set of natural laws that rule the macroscopic physical systems behavior. These laws were formulated based on observations generalizations and are mostly independent of any hypotheses concerning the microscopic nature of the matter. In general, the approaches established for the Classical Thermodynamics follow one of the following alternatives: the historical approach that describes chronologically the evolution of ideas, concepts and facts, and the postulational approach in which postulates are formulated but are not demonstrated a priori but can be confirmed a posteriori. In this work, a brief review of the pre-classical historical approach conceptual evolution is elaborated, from the beginning of the seventeenth century to the middle of the nineteenth century. As for this, the following themes are dealt with in an evolutionary and phenomenological way: heat nature, thermometry, calorimetry, Carnot’s heat engine, heat mechanical equivalent and the first and second laws. The Zeroth law that was formulated afterwards is included in the discussion.

  5. Thermodynamic assessment of the CoOx-CrO1.5 system

    DEFF Research Database (Denmark)

    Östby, Jonas Allan; Chen, Ming

    2009-01-01

    By application of the CALPHAD method, a consistent set of thermodynamic model parameters is optimized for the oxide phases in the Co–Cr–O system. Cobalt chromium spinel is described as a normal spinel at room temperature and with cation redistribution at high temperature. All the solid oxide...... solution phases are described using the compound energy model, and the liquid phase is described using the two-sublattice model for ionic liquids. Calculated phase diagrams are presented, and values for the thermodynamic properties are compared with experimental data....

  6. Review and recommended thermodynamic properties of FeCO3

    DEFF Research Database (Denmark)

    Fosbøl, Philip Loldrup; Thomsen, Kaj; Stenby, Erling Halfdan

    2010-01-01

    An extensive review of entropy, enthalpy of formation and Gibbs energy of formation, heat capacity, aqueous solubility and solubility constant of FeCO3 is given. A consistent set of thermodynamic properties for FeCO3 and relevant aqeous species is selected and recommended for use. Speciation...

  7. Thermodynamics of strange quark matter with the density-dependent bag constant

    Institute of Scientific and Technical Information of China (English)

    2009-01-01

    The thermodynamics of strange quark matter with density dependent bag constant are studied self-consistently in the framework of the general ensemble theory and the MIT bag model.In our treatment,an additional term is found in the expression of pressure.With the additional term,the zero pressure locates exactly at the lowest energy state,indicating that our treatment is a self-consistently thermodynamic treatment.The self-consistent equations of state of strange quark matter in both the normal and color-flavor-locked phase are derived.They are both softer than the inconsistent ones.Strange stars in both the normal and color-flavor locked phase have smaller masses and radii in our treatment.It is also interesting to find that the energy density at a star surface in our treatment is much higher than that in the inconsistent treatment for both phases.Consequently,the surface properties and the corresponding observational properties of strange stars in our treatment are different from those in the inconsistent treatment.

  8. Quantum thermodynamics of the resonant-level model with driven system-bath coupling

    Science.gov (United States)

    Haughian, Patrick; Esposito, Massimiliano; Schmidt, Thomas L.

    2018-02-01

    We study nonequilibrium thermodynamics in a fermionic resonant-level model with arbitrary coupling strength to a fermionic bath, taking the wide-band limit. In contrast to previous theories, we consider a system where both the level energy and the coupling strength depend explicitly on time. We find that, even in this generalized model, consistent thermodynamic laws can be obtained, up to the second order in the drive speed, by splitting the coupling energy symmetrically between system and bath. We define observables for the system energy, work, heat, and entropy, and calculate them using nonequilibrium Green's functions. We find that the observables fulfill the laws of thermodynamics, and connect smoothly to the known equilibrium results.

  9. A Hamiltonian approach to Thermodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Baldiotti, M.C., E-mail: baldiotti@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86051-990, Londrina-PR (Brazil); Fresneda, R., E-mail: rodrigo.fresneda@ufabc.edu.br [Universidade Federal do ABC, Av. dos Estados 5001, 09210-580, Santo André-SP (Brazil); Molina, C., E-mail: cmolina@usp.br [Escola de Artes, Ciências e Humanidades, Universidade de São Paulo, Av. Arlindo Bettio 1000, CEP 03828-000, São Paulo-SP (Brazil)

    2016-10-15

    In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

  10. A Hamiltonian approach to Thermodynamics

    International Nuclear Information System (INIS)

    Baldiotti, M.C.; Fresneda, R.; Molina, C.

    2016-01-01

    In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

  11. Treatise on irreversible and statistical thermodynamics an introduction to nonclassical thermodynamics

    CERN Document Server

    Yourgrau, Wolfgang; Raw, Gough

    2002-01-01

    Extensively revised edition of a much-respected work examines thermodynamics of irreversible processes, general principles of statistical thermodynamics, assemblies of noninteracting structureless particles, and statistical theory. 1966 edition.

  12. Structure and thermodynamic properties of molten rubidium chloride

    International Nuclear Information System (INIS)

    Ballone, P.; Pastore, G.; Tosi, M.P.; Trieste Univ.

    1984-02-01

    Self-consistent calculations of partial pair distribution functions and thermodynamic properties are presented for molten RbCl in a non-polarizable-ion model and compared with computer simulation data. The theory, which is quantitatively very successful, hinges on an empirical evaluation of bridge diagrams including both excluded-volume effects and long-range Coulomb effects. (author)

  13. Generalized laws of thermodynamics in the presence of correlations.

    Science.gov (United States)

    Bera, Manabendra N; Riera, Arnau; Lewenstein, Maciej; Winter, Andreas

    2017-12-19

    The laws of thermodynamics, despite their wide range of applicability, are known to break down when systems are correlated with their environments. Here we generalize thermodynamics to physical scenarios which allow presence of correlations, including those where strong correlations are present. We exploit the connection between information and physics, and introduce a consistent redefinition of heat dissipation by systematically accounting for the information flow from system to bath in terms of the conditional entropy. As a consequence, the formula for the Helmholtz free energy is accordingly modified. Such a remedy not only fixes the apparent violations of Landauer's erasure principle and the second law due to anomalous heat flows, but also leads to a generally valid reformulation of the laws of thermodynamics. In this information-theoretic approach, correlations between system and environment store work potential. Thus, in this view, the apparent anomalous heat flows are the refrigeration processes driven by such potentials.

  14. On deformation of complex continuum immersed in a plane space

    Science.gov (United States)

    Kovalev, V. A.; Murashkin, E. V.; Radayev, Y. N.

    2018-05-01

    The present paper is devoted to mathematical modelling of complex continua deformations considered as immersed in an external plane space. The complex continuum is defined as a differential manifold supplied with metrics induced by the external space. A systematic derivation of strain tensors by notion of isometric immersion of the complex continuum into a plane space of a higher dimension is proposed. Problem of establishing complete systems of irreducible objective strain and extrastrain tensors for complex continuum immersed in an external plane space is resolved. The solution to the problem is obtained by methods of the field theory and the theory of rational algebraic invariants. Strain tensors of the complex continuum are derived as irreducible algebraic invariants of contravariant vectors of the external space emerging as functional arguments in the complex continuum action density. Present analysis is restricted to rational algebraic invariants. Completeness of the considered systems of rational algebraic invariants is established for micropolar elastic continua. Rational syzygies for non-quadratic invariants are discussed. Objective strain tensors (indifferent to frame rotations in the external plane space) for micropolar continuum are alternatively obtained by properly combining multipliers of polar decompositions of deformation and extra-deformation gradients. The latter is realized only for continua immersed in a plane space of the equal mathematical dimension.

  15. Continuum gamma-ray spectroscopy

    International Nuclear Information System (INIS)

    Diamond, R.M.

    1981-06-01

    When angular momentum is added to a nucleus, it is, of course, carried by the individual nucleons, but two limiting types of behavior may be distinguished: (1) a small number of high-j particles align with the rotation axis and (2) the nucleus is deformed and rotates as a whole. At high spin all nuclei seem to show a compromise utilizing both motions. The excited nuclei left as products of (HI,xn) reactions have so many pathways down that none of the γ-ray transitions have enough intensity to be seen individually until the population gathers near the yrast line. This occurs usually between spin 20 to 40 h-bar. All our information on the higher states comes from their continuum spectra. With the new techniques that are developing, including the use of multiplicity filters, total-energy spectrometers, energy correlation studies, crystal balls, and observation of giant dipole resonances in the continuum spectra, there is hope to learn much about the nature of the high-spin states

  16. Nonlocal continuum field theories

    CERN Document Server

    2002-01-01

    Nonlocal continuum field theories are concerned with material bodies whose behavior at any interior point depends on the state of all other points in the body -- rather than only on an effective field resulting from these points -- in addition to its own state and the state of some calculable external field. Nonlocal field theory extends classical field theory by describing the responses of points within the medium by functionals rather than functions (the "constitutive relations" of classical field theory). Such considerations are already well known in solid-state physics, where the nonlocal interactions between the atoms are prevalent in determining the properties of the material. The tools developed for crystalline materials, however, do not lend themselves to analyzing amorphous materials, or materials in which imperfections are a major part of the structure. Nonlocal continuum theories, by contrast, can describe these materials faithfully at scales down to the lattice parameter. This book presents a unif...

  17. STATCONT: A statistical continuum level determination method for line-rich sources

    Science.gov (United States)

    Sánchez-Monge, Á.; Schilke, P.; Ginsburg, A.; Cesaroni, R.; Schmiedeke, A.

    2018-01-01

    STATCONT is a python-based tool designed to determine the continuum emission level in spectral data, in particular for sources with a line-rich spectrum. The tool inspects the intensity distribution of a given spectrum and automatically determines the continuum level by using different statistical approaches. The different methods included in STATCONT are tested against synthetic data. We conclude that the sigma-clipping algorithm provides the most accurate continuum level determination, together with information on the uncertainty in its determination. This uncertainty can be used to correct the final continuum emission level, resulting in the here called `corrected sigma-clipping method' or c-SCM. The c-SCM has been tested against more than 750 different synthetic spectra reproducing typical conditions found towards astronomical sources. The continuum level is determined with a discrepancy of less than 1% in 50% of the cases, and less than 5% in 90% of the cases, provided at least 10% of the channels are line free. The main products of STATCONT are the continuum emission level, together with a conservative value of its uncertainty, and datacubes containing only spectral line emission, i.e., continuum-subtracted datacubes. STATCONT also includes the option to estimate the spectral index, when different files covering different frequency ranges are provided.

  18. Technical Work Plan for: Thermodynamic Databases for Chemical Modeling

    International Nuclear Information System (INIS)

    C.F. Jovecolon

    2006-01-01

    The objective of the work scope covered by this Technical Work Plan (TWP) is to correct and improve the Yucca Mountain Project (YMP) thermodynamic databases, to update their documentation, and to ensure reasonable consistency among them. In addition, the work scope will continue to generate database revisions, which are organized and named so as to be transparent to internal and external users and reviewers. Regarding consistency among databases, it is noted that aqueous speciation and mineral solubility data for a given system may differ according to how solubility was determined, and the method used for subsequent retrieval of thermodynamic parameter values from measured data. Of particular concern are the details of the determination of ''infinite dilution'' constants, which involve the use of specific methods for activity coefficient corrections. That is, equilibrium constants developed for a given system for one set of conditions may not be consistent with constants developed for other conditions, depending on the species considered in the chemical reactions and the methods used in the reported studies. Hence, there will be some differences (for example in log K values) between the Pitzer and ''B-dot'' database parameters for the same reactions or species

  19. Near-infrared water vapour self-continuum at close to room temperature

    International Nuclear Information System (INIS)

    Ptashnik, I.V.; Petrova, T.M.; Ponomarev, Yu.N.; Shine, K.P.; Solodov, A.A.; Solodov, A.M.

    2013-01-01

    The gaseous absorption of solar radiation within near-infrared atmospheric windows in the Earth's atmosphere is dominated by the water vapour continuum. Recent measurements by Baranov et al. (2011) [17] in 2500 cm −1 (4 μm) window and by Ptashnik et al. (2011) [18] in a few near-infrared windows revealed that the self-continuum absorption is typically an order of magnitude stronger than given by the MT C KD continuum model prior to version 2.5. Most of these measurements, however, were made at elevated temperatures, which makes their application to atmospheric conditions difficult. Here we report new laboratory measurements of the self-continuum absorption at 289 and 318 K in the near-infrared spectral region 1300–8000 cm −1 , using a multipass 30 m base cell with total optical path 612 m. Our results confirm the main conclusions of the previous measurements both within bands and in windows. Of particular note is that we present what we believe to be the first near-room temperature measurement using Fourier Transform Spectrometry of the self-continuum in the 6200 cm −1 (1.6 μm) window, which provides tentative evidence that, at such temperatures, the water vapour continuum absorption may be as strong as it is in 2.1 μm and 4 μm windows and up to 2 orders of magnitude stronger than the MT C KD-2.5 continuum. We note that alternative methods of measuring the continuum in this window have yielded widely differing assessment of its strength, which emphasises the need for further measurements. -- Highlights: ► New lab measurements of the near-infrared water vapour self-continuum absorption. ► First room-temperature data on the self-continuum in the 1.6 μm window. ► In the 1.6 μm window the new data exceed MT C KD-2.5 model by 2 orders of magnitude

  20. Applied chemical engineering thermodynamics

    CERN Document Server

    Tassios, Dimitrios P

    1993-01-01

    Applied Chemical Engineering Thermodynamics provides the undergraduate and graduate student of chemical engineering with the basic knowledge, the methodology and the references he needs to apply it in industrial practice. Thus, in addition to the classical topics of the laws of thermodynamics,pure component and mixture thermodynamic properties as well as phase and chemical equilibria the reader will find: - history of thermodynamics - energy conservation - internmolecular forces and molecular thermodynamics - cubic equations of state - statistical mechanics. A great number of calculated problems with solutions and an appendix with numerous tables of numbers of practical importance are extremely helpful for applied calculations. The computer programs on the included disk help the student to become familiar with the typical methods used in industry for volumetric and vapor-liquid equilibria calculations.

  1. Ionic Solution: What Goes Right and Wrong with Continuum Solvation Modeling.

    Science.gov (United States)

    Wang, Changhao; Ren, Pengyu; Luo, Ray

    2017-12-14

    Solvent-mediated electrostatic interactions were well recognized to be important in the structure and function of molecular systems. Ionic interaction is an important component in electrostatic interactions, especially in highly charged molecules, such as nucleic acids. Here, we focus on the quality of the widely used Poisson-Boltzmann surface area (PBSA) continuum models in modeling ionic interactions by comparing with both explicit solvent simulations and the experiment. In this work, the molality-dependent chemical potentials for sodium chloride (NaCl) electrolyte were first simulated in the SPC/E explicit solvent. Our high-quality simulation agrees well with both the previous study and the experiment. Given the free-energy simulations in SPC/E as the benchmark, we used the same sets of snapshots collected in the SPC/E solvent model for PBSA free-energy calculations in the hope to achieve the maximum consistency between the two solvent models. Our comparative analysis shows that the molality-dependent chemical potentials of NaCl were reproduced well with both linear PB and nonlinear PB methods, although nonlinear PB agrees better with SPC/E and the experiment. Our free-energy simulations also show that the presence of salt increases the hydrophobic effect in a nonlinear fashion, in qualitative agreement with previous theoretical studies of Onsager and Samaras. However, the lack of molality-dependency in the nonelectrostatics continuum models dramatically reduces the overall quality of PBSA methods in modeling salt-dependent energetics. These analyses point to further improvements needed for more robust modeling of solvent-mediated interactions by the continuum solvation frameworks.

  2. Thermodynamics in Curved Space-Time and Its Application to Holography

    Directory of Open Access Journals (Sweden)

    Yong Xiao

    2015-03-01

    Full Text Available The thermodynamic behaviors of a system living in a curved space-time are different from those of a system in a flat space-time. We have investigated the thermodynamics for a system consisting of relativistic massless bosons. We show that a strongly curved metric will produce a large enhancement of the degrees of freedom in the formulae of energy and entropy of the system, as a comparison to the case in a flat space-time. We are mainly concerned with its implications to holography, including the derivations of holographic entropy and holographic screen.

  3. Consistent estimation of Gibbs energy using component contributions.

    Directory of Open Access Journals (Sweden)

    Elad Noor

    Full Text Available Standard Gibbs energies of reactions are increasingly being used in metabolic modeling for applying thermodynamic constraints on reaction rates, metabolite concentrations and kinetic parameters. The increasing scope and diversity of metabolic models has led scientists to look for genome-scale solutions that can estimate the standard Gibbs energy of all the reactions in metabolism. Group contribution methods greatly increase coverage, albeit at the price of decreased precision. We present here a way to combine the estimations of group contribution with the more accurate reactant contributions by decomposing each reaction into two parts and applying one of the methods on each of them. This method gives priority to the reactant contributions over group contributions while guaranteeing that all estimations will be consistent, i.e. will not violate the first law of thermodynamics. We show that there is a significant increase in the accuracy of our estimations compared to standard group contribution. Specifically, our cross-validation results show an 80% reduction in the median absolute residual for reactions that can be derived by reactant contributions only. We provide the full framework and source code for deriving estimates of standard reaction Gibbs energy, as well as confidence intervals, and believe this will facilitate the wide use of thermodynamic data for a better understanding of metabolism.

  4. Experimental investigation and thermodynamic calculation of the Mg-Sr-Zr system

    International Nuclear Information System (INIS)

    Zhou, Hua; Chen, Chong; Du, Yong; Central South Univ., Hunan; Gong, Haoran

    2016-01-01

    Both experimental investigation and thermodynamic calculation were performed for the Mg-Sr-Zr system. Four decisive alloys were firstly selected and prepared using a powder metallurgy method to measure the isothermal section at 400 C via a combination of X-ray diffraction and electron probe microanalysis. No ternary compound has been observed for this ternary system. Four three-phase regions, (Mg) + (αZr) + Mg 17 Sr 2 , Mg 17 Sr 2 + (αZr) + Mg 38 Sr 9 , Mg 38 Sr 9 + (αZr) + Mg 23 Sr 6 , and Mg 23 Sr 6 + (αZr) + Mg 2 Sr, have been identified at 400 C. No appreciable ternary solubility has been detected in the binary Mg-Sr compounds. Phase transition temperatures of the Mg-Sr-Zr alloys were measured by means of differential scanning calorimetry. The thermodynamic calculations match well with the experimental data in the present work, indicating that no ternary thermodynamic parameters are needed for the thermodynamic description of this ternary system. In order to verify the reliability of the current thermodynamic calculations of the Mg-Sr-Zr system, eight as-cast alloys in the Mg-rich corner were also prepared. The calculated liquidus projection is consistent with the observed primary phase regions. The present thermodynamic calculations are reliable and can be used in the development of Mg alloys.

  5. Emerging of Stochastic Dynamical Equalities and Steady State Thermodynamics from Darwinian Dynamics

    International Nuclear Information System (INIS)

    Ao, P.

    2008-01-01

    The evolutionary dynamics first conceived by Darwin and Wallace, referring to as Darwinian dynamics in the present paper, has been found to be universally valid in biology. The statistical mechanics and thermodynamics, while enormous successful in physics, have been in an awkward situation of wanting a consistent dynamical understanding. Here we present from a formal point of view an exploration of the connection between thermodynamics and Darwinian dynamics and a few related topics. We first show that the stochasticity in Darwinian dynamics implies the existence temperature, hence the canonical distribution of Boltzmann-Gibbs type. In term of relative entropy the Second Law of thermodynamics is dynamically demonstrated without detailed balance condition, and is valid regardless of size of the system. In particular, the dynamical component responsible for breaking detailed balance condition does not contribute to the change of the relative entropy. Two types of stochastic dynamical equalities of current interest are explicitly discussed in the present approach: One is based on Feynman-Kac formula and another is a generalization of Einstein relation. Both are directly accessible to experimental tests. Our demonstration indicates that Darwinian dynamics represents logically a simple and straightforward starting point for statistical mechanics and thermodynamics and is complementary to and consistent with conservative dynamics that dominates the physical sciences. Present exploration suggests the existence of a unified stochastic dynamical framework both near and far from equilibrium

  6. Thermodynamic modelling of fast dopant diffusion in Si

    Science.gov (United States)

    Saltas, V.; Chroneos, A.; Vallianatos, F.

    2018-04-01

    In the present study, nickel and copper fast diffusion in silicon is investigated in the framework of the cBΩ thermodynamic model, which connects point defect parameters with the bulk elastic and expansion properties. All the calculated point defect thermodynamic properties (activation Gibbs free energy, activation enthalpy, activation entropy, and activation volume) exhibit temperature dependence due to the non-linear anharmonic behavior of the isothermal bulk modulus of Si. Calculated activation enthalpies (0.15-0.16 eV for Ni and 0.17-0.19 eV for Cu) are in agreement with the reported experimental results. Small values of calculated activation volumes for both dopants (˜4% of the mean atomic volume) are consistent with the interstitial diffusion of Ni and Cu in Si.

  7. Solid-Liquid Interface Thermal Resistance Affects the Evaporation Rate of Droplets from a Surface: A Study of Perfluorohexane on Chromium Using Molecular Dynamics and Continuum Theory.

    Science.gov (United States)

    Han, Haoxue; Schlawitschek, Christiane; Katyal, Naman; Stephan, Peter; Gambaryan-Roisman, Tatiana; Leroy, Frédéric; Müller-Plathe, Florian

    2017-05-30

    We study the role of solid-liquid interface thermal resistance (Kapitza resistance) on the evaporation rate of droplets on a heated surface by using a multiscale combination of molecular dynamics (MD) simulations and analytical continuum theory. We parametrize the nonbonded interaction potential between perfluorohexane (C 6 F 14 ) and a face-centered-cubic solid surface to reproduce the experimental wetting behavior of C 6 F 14 on black chromium through the solid-liquid work of adhesion (quantity directly related to the wetting angle). The thermal conductances between C 6 F 14 and (100) and (111) solid substrates are evaluated by a nonequilibrium molecular dynamics approach for a liquid pressure lower than 2 MPa. Finally, we examine the influence of the Kapitza resistance on evaporation of droplets in the vicinity of a three-phase contact line with continuum theory, where the thermal resistance of liquid layer is comparable with the Kapitza resistance. We determine the thermodynamic conditions under which the Kapitza resistance plays an important role in correctly predicting the evaporation heat flux.

  8. Continuum of Care (COC) Areas

    Data.gov (United States)

    Department of Housing and Urban Development — The purpose of the Continuum of Care (CoC) Homeless Assistance Programs is to reduce the incidence of homelessness in CoC communities by assisting homeless...

  9. Thermodynamics of nuclear materials

    International Nuclear Information System (INIS)

    Rand, M.H.

    1975-01-01

    A report is presented of the Fourth International Symposium on Thermodynamics of Nuclear Materials held in Vienna, 21-25 October 1974. The technological theme of the Symposium was the application of thermodynamics to the understanding of the chemistry of irradiated nuclear fuels and to safety assessments for hypothetical accident conditions in reactors. The first four sessions were devoted to these topics and they were followed by four more sessions on the more basic thermodynamics, phase diagrams and the thermodynamic properties of a wide range of nuclear materials. Sixty-seven papers were presented

  10. Thermodynamic Properties and Thermodynamic Geometries of Black p-Branes

    International Nuclear Information System (INIS)

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

    2016-01-01

    The heat capacity and the electric capacitance of the black p-branes (BPB) are generally defined, then they are calculated for some special processes. It is found that the Ruppeiner thermodynamic geometry of BPB is flat. Finally, we give some discussions for the flatness of the Ruppeiner thermodynamic geometry of BPB and some black holes. (paper)

  11. Thermodynamic assessment of the Sn–Sr system supported by first-principles calculations

    International Nuclear Information System (INIS)

    Zhao, Jingrui; Du, Yong; Zhang, Lijun; Wang, Aijun; Zhou, Liangcai; Zhao, Dongdong; Liang, Jianlie

    2012-01-01

    Highlights: ► All the literature data of Sn–Sr system is critically reviewed. ► First-principles calculation of enthalpy of formation is carried out for each compound. ► Thermodynamic parameters for Sn–Sr system are obtained by CALPHAD method. ► A hybrid approach of CALPHAD and first-principles calculations is recommended. - Abstract: A hybrid approach of CALPHAD and first-principles calculations was employed to perform a thermodynamic modeling of the Sn–Sr system. The experimental phase diagram and thermodynamic data available in the literature were critically reviewed. The enthalpies of formation for the 6 stoichiometric compounds (i.e. Sr 2 Sn, Sr 5 Sn 3 , SrSn, Sr 3 Sn 5 , SrSn 3 and SrSn 4 ) at 0 K were computed by means of first-principles calculations. These data were used as the experimental values in the optimization module PARROT in the subsequent CALPHAD assessment to provide thermodynamic parameters with sound physical meaning. A set of self-consistent thermodynamic parameters was finally obtained by considering reliable literature data and the first-principles computed results. Comprehensive comparisons between the calculated and measured quantities indicate that all the reliable experimental information can be satisfactorily accounted for by the present thermodynamic description.

  12. General thermodynamics

    CERN Document Server

    Olander, Donald

    2007-01-01

    The book’s methodology is unified, concise, and multidisciplinary, allowing students to understand how the principles of thermodynamics apply to all technical fields that touch upon this most fundamental of scientific theories. It also offers a rigorous approach to the quantitative aspects of thermodynamics, accompanied by clear explanations to help students transition smoothly from the physical concepts to their mathematical representations

  13. Theoretical and experimental study: the size dependence of decomposition thermodynamics of nanomaterials

    International Nuclear Information System (INIS)

    Cui, Zixiang; Duan, Huijuan; Li, Wenjiao; Xue, Yongqiang

    2015-01-01

    In the processes of preparation and application of nanomaterials, the decomposition reactions of nanomaterials are often involved. However, there is a dramatic difference in decomposition thermodynamics between nanomaterials and the bulk counterparts, and the difference depends on the size of the particles that compose the nanomaterials. In this paper, the decomposition model of a nanoparticle was built, the theory of decomposition thermodynamics of nanomaterials was proposed, and the relations of the size dependence of thermodynamic quantities for the decomposition reactions were deduced. In experiment, taking the thermal decomposition of nano-Cu 2 (OH) 2 CO 3 with different particle sizes (the range of radius is at 8.95–27.4 nm) as a system, the reaction thermodynamic quantities were determined, and the regularities of size dependence of the quantities were summarized. These experimental regularities consist with the above thermodynamic relations. The results show that there is a significant effect of the size of particles composing a nanomaterial on the decomposition thermodynamics. When all the decomposition products are gases, the differences in thermodynamic quantities of reaction between the nanomaterials and the bulk counterparts depend on the particle size; while when one of the decomposition products is a solid, the differences depend on both the initial particle size of the nanoparticle and the decomposition ratio. When the decomposition ratio is very small, these differences are only related to the initial particle size; and when the radius of the nanoparticles approaches or exceeds 10 nm, the reaction thermodynamic functions and the logarithm of the equilibrium constant are linearly associated with the reciprocal of radius, respectively. The thermodynamic theory can quantificationally describe the regularities of the size dependence of thermodynamic quantities for decomposition reactions of nanomaterials, and contribute to the researches and the

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

    International Nuclear Information System (INIS)

    Wu, Wei; Wang, Jin

    2014-01-01

    We have established a general non-equilibrium thermodynamic formalism consistently applicable to both spatially homogeneous and, more importantly, spatially inhomogeneous systems, governed by the Langevin and Fokker-Planck stochastic dynamics with multiple state transition mechanisms, using the potential-flux landscape framework as a bridge connecting stochastic dynamics with non-equilibrium thermodynamics. A set of non-equilibrium thermodynamic equations, quantifying the relations of the non-equilibrium entropy, entropy flow, entropy production, and other thermodynamic quantities, together with their specific expressions, is constructed from a set of dynamical decomposition equations associated with the potential-flux landscape framework. The flux velocity plays a pivotal role on both the dynamic and thermodynamic levels. On the dynamic level, it represents a dynamic force breaking detailed balance, entailing the dynamical decomposition equations. On the thermodynamic level, it represents a thermodynamic force generating entropy production, manifested in the non-equilibrium thermodynamic equations. The Ornstein-Uhlenbeck process and more specific examples, the spatial stochastic neuronal model, in particular, are studied to test and illustrate the general theory. This theoretical framework is particularly suitable to study the non-equilibrium (thermo)dynamics of spatially inhomogeneous systems abundant in nature. This paper is the second of a series

  15. Nonequilibrium thermodynamics transport and rate processes in physical, chemical and biological systems

    CERN Document Server

    Demirel, Yasar

    2014-01-01

    Natural phenomena consist of simultaneously occurring transport processes and chemical reactions. These processes may interact with each other and may lead to self-organized structures, fluctuations, instabilities, and evolutionary systems. Nonequilibrium Thermodynamics, 3rd edition emphasizes the unifying role of thermodynamics in analyzing the natural phenomena. This third edition updates and expands on the first and second editions by focusing on the general balance equations for coupled processes of physical, chemical, and biological systems. The new edition contains a new chapte

  16. Non-equilibrium thermodynamics

    CERN Document Server

    De Groot, Sybren Ruurds

    1984-01-01

    The study of thermodynamics is especially timely today, as its concepts are being applied to problems in biology, biochemistry, electrochemistry, and engineering. This book treats irreversible processes and phenomena - non-equilibrium thermodynamics.S. R. de Groot and P. Mazur, Professors of Theoretical Physics, present a comprehensive and insightful survey of the foundations of the field, providing the only complete discussion of the fluctuating linear theory of irreversible thermodynamics. The application covers a wide range of topics: the theory of diffusion and heat conduction, fluid dyn

  17. Advanced thermodynamics engineering

    CERN Document Server

    Annamalai, Kalyan; Jog, Milind A

    2011-01-01

    Thermolab Excel-Based Software for Thermodynamic Properties and Flame Temperatures of Fuels IntroductionImportance, Significance and LimitationsReview of ThermodynamicsMathematical BackgroundOverview of Microscopic/NanothermodynamicsSummaryAppendix: Stokes and Gauss Theorems First Law of ThermodynamicsZeroth LawFirst Law for a Closed SystemQuasi Equilibrium (QE) and Nonquasi-equilibrium (NQE) ProcessesEnthalpy and First LawAdiabatic Reversible Process for Ideal Gas with Constant Specific HeatsFirst Law for an Open SystemApplications of First Law for an Open SystemIntegral and Differential Form

  18. Modern engineering thermodynamics

    CERN Document Server

    Balmer, Robert T

    2010-01-01

    Designed for use in a standard two-semester engineering thermodynamics course sequence. The first half of the text contains material suitable for a basic Thermodynamics course taken by engineers from all majors. The second half of the text is suitable for an Applied Thermodynamics course in mechanical engineering programs. The text has numerous features that are unique among engineering textbooks, including historical vignettes, critical thinking boxes, and case studies. All are designed to bring real engineering applications into a subject that can be somewhat abstract and mathematica

  19. Mapping ‘hydroscapes’ along the iso- to anisohydric continuum of stomatal regulation of plant water status

    Science.gov (United States)

    Frederick C. Meinzer; David R. Woodruff; Danielle E. Marias; Duncan D. Smith; Katherine A. McCulloh; Ava R. Howard; Alicia L. Magedman; Josep Penuelas

    2016-01-01

    The concept of iso- vs. anisohydry has been used to describe the stringency of stomatal regulation of plant water potential (ψ). However, metrics that accurately and consistently quantify species’ operating ranges along a continuum of iso- to anisohydry have been elusive. Additionally, most approaches to quantifying iso/anisohydry require labour-intensive measurements...

  20. Continuum methods of physical modeling continuum mechanics, dimensional analysis, turbulence

    CERN Document Server

    Hutter, Kolumban

    2004-01-01

    The book unifies classical continuum mechanics and turbulence modeling, i.e. the same fundamental concepts are used to derive model equations for material behaviour and turbulence closure and complements these with methods of dimensional analysis. The intention is to equip the reader with the ability to understand the complex nonlinear modeling in material behaviour and turbulence closure as well as to derive or invent his own models. Examples are mostly taken from environmental physics and geophysics.

  1. Continuum Thinking and the Contexts of Personal Information Management

    Science.gov (United States)

    Huvila, Isto; Eriksen, Jon; Häusner, Eva-Maria; Jansson, Ina-Maria

    2014-01-01

    Introduction: Recent personal information management literature has underlined the significance of the contextuality of personal information and its use. The present article discusses the applicability of the records continuum model and its generalisation, continuum thinking, as a theoretical framework for explicating the overlap and evolution of…

  2. Lattice Boltzmann method for multi-component, non-continuum mass diffusion

    International Nuclear Information System (INIS)

    Joshi, Abhijit S; Peracchio, Aldo A; Grew, Kyle N; Chiu, Wilson K S

    2007-01-01

    Recently, there has been a great deal of interest in extending the lattice Boltzmann method (LBM) to model transport phenomena in the non-continuum regime. Most of these studies have focused on single-component flows through simple geometries. This work examines an ad hoc extension of a recently developed LBM model for multi-component mass diffusion (Joshi et al 2007 J. Phys. D: Appl. Phys. 40 2961) to model mass diffusion in the non-continuum regime. In order to validate the method, LBM results for ternary diffusion in a two-dimensional channel are compared with predictions of the dusty gas model (DGM) over a range of Knudsen numbers. A calibration factor based on the DGM is used in the LBM to correlate Knudsen diffusivity to pore size. Results indicate that the LBM can be a useful tool for predicting non-continuum mass diffusion (Kn > 0.001), but additional research is needed to extend the range of applicability of the algorithm for a larger parameter space. Guidelines are given on using the methodology described in this work to model non-continuum mass transport in more complex geometries where the DGM is not easily applicable. In addition, the non-continuum LBM methodology can be extended to three-dimensions. An envisioned application of this technique is to model non-continuum mass transport in porous solid oxide fuel cell electrodes

  3. Thermodynamic modeling of the Na-X (X = Si, Ag, Cu, Cr systems

    Directory of Open Access Journals (Sweden)

    Hao D.

    2012-01-01

    Full Text Available The Na-X (X = Si, Ag, Cu, Cr systems have been critically reviewed and modeled by means of the CALPHAD approach. The two compounds, NaSi and Ag2Na, are treated as stoichiometric ones. By means of first-principles calculations, the enthalpies of formation at 0 K for the LT-NaSi (low temperature form of NaSi and Ag2Na have been computed to be -5210 and -29821.8 Jmol-1, respectively, with the desire to assist thermodynamic modeling. One set of self-consistent thermodynamic parameters is obtained for each of these binary systems. Comparisons between calculated and measured phase diagrams show that most of the experimental information can be satisfactorily accounted for by the present thermodynamic descriptions.

  4. Liquid Methane Testing With a Large-Scale Spray Bar Thermodynamic Vent System

    Science.gov (United States)

    Hastings, L. J.; Bolshinskiy, L. G.; Hedayat, A.; Flachbart, R. H.; Sisco, J. D.; Schnell. A. R.

    2014-01-01

    NASA's Marshall Space Flight Center conducted liquid methane testing in November 2006 using the multipurpose hydrogen test bed outfitted with a spray bar thermodynamic vent system (TVS). The basic objective was to identify any unusual or unique thermodynamic characteristics associated with densified methane that should be considered in the design of space-based TVSs. Thirteen days of testing were performed with total tank heat loads ranging from 720 to 420 W at a fill level of approximately 90%. It was noted that as the fluid passed through the Joule-Thompson expansion, thermodynamic conditions consistent with the pervasive presence of metastability were indicated. This Technical Publication describes conditions that correspond with metastability and its detrimental effects on TVS performance. The observed conditions were primarily functions of methane densification and helium pressurization; therefore, assurance must be provided that metastable conditions have been circumvented in future applications of thermodynamic venting to in-space methane storage.

  5. Bethe ansatz approach to quantum sine Gordon thermodynamics and finite temperature excitations

    International Nuclear Information System (INIS)

    Zotos, X.

    1982-01-01

    Takahashi and Suzuki (TS) using the Bethe ansatz method developed a formalism for the thermodynamics of the XYZ spin chain. Translating their formalism to the quantum sine-Gordon system, the thermodynamics and finite temperature elementary excitations are analyzed. Criteria imposed by TS on the allowed states simply correspond to the condition of normalizability of the wave functions. A set of coupled nonlinear integral equations for the thermodynamic equilibrium densities for particular values of the coupling constant in the attractive regime is derived. Solving numerically these Bethe ansatz equations, curves of the specific heat as a function of temperature are obtained. The soliton contribution peaks at a temperature of about 0.4 soliton masses shifting downward as the classical limit is approached. The weak coupling regime is analyzed by deriving the Bethe ansatz equations including the charged vacuum excitations. It is shown that they are necessary for a consistent presentation of the thermodynamics

  6. Computation of Thermodynamic Equilibria Pertinent to Nuclear Materials in Multi-Physics Codes

    Science.gov (United States)

    Piro, Markus Hans Alexander

    Nuclear energy plays a vital role in supporting electrical needs and fulfilling commitments to reduce greenhouse gas emissions. Research is a continuing necessity to improve the predictive capabilities of fuel behaviour in order to reduce costs and to meet increasingly stringent safety requirements by the regulator. Moreover, a renewed interest in nuclear energy has given rise to a "nuclear renaissance" and the necessity to design the next generation of reactors. In support of this goal, significant research efforts have been dedicated to the advancement of numerical modelling and computational tools in simulating various physical and chemical phenomena associated with nuclear fuel behaviour. This undertaking in effect is collecting the experience and observations of a past generation of nuclear engineers and scientists in a meaningful way for future design purposes. There is an increasing desire to integrate thermodynamic computations directly into multi-physics nuclear fuel performance and safety codes. A new equilibrium thermodynamic solver is being developed with this matter as a primary objective. This solver is intended to provide thermodynamic material properties and boundary conditions for continuum transport calculations. There are several concerns with the use of existing commercial thermodynamic codes: computational performance; limited capabilities in handling large multi-component systems of interest to the nuclear industry; convenient incorporation into other codes with quality assurance considerations; and, licensing entanglements associated with code distribution. The development of this software in this research is aimed at addressing all of these concerns. The approach taken in this work exploits fundamental principles of equilibrium thermodynamics to simplify the numerical optimization equations. In brief, the chemical potentials of all species and phases in the system are constrained by estimates of the chemical potentials of the system

  7. Thermodynamics I essentials

    CERN Document Server

    REA, The Editors of

    2012-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics I includes review of properties and states of a pure substance, work and heat, energy and the first law of thermodynamics, entropy and the second law of thermodynamics

  8. Integrable motion of curves in self-consistent potentials: Relation to spin systems and soliton equations

    Energy Technology Data Exchange (ETDEWEB)

    Myrzakulov, R.; Mamyrbekova, G.K.; Nugmanova, G.N.; Yesmakhanova, K.R. [Eurasian International Center for Theoretical Physics and Department of General and Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan); Lakshmanan, M., E-mail: lakshman@cnld.bdu.ac.in [Centre for Nonlinear Dynamics, School of Physics, Bharathidasan University, Tiruchirapalli 620 024 (India)

    2014-06-13

    Motion of curves and surfaces in R{sup 3} lead to nonlinear evolution equations which are often integrable. They are also intimately connected to the dynamics of spin chains in the continuum limit and integrable soliton systems through geometric and gauge symmetric connections/equivalence. Here we point out the fact that a more general situation in which the curves evolve in the presence of additional self-consistent vector potentials can lead to interesting generalized spin systems with self-consistent potentials or soliton equations with self-consistent potentials. We obtain the general form of the evolution equations of underlying curves and report specific examples of generalized spin chains and soliton equations. These include principal chiral model and various Myrzakulov spin equations in (1+1) dimensions and their geometrically equivalent generalized nonlinear Schrödinger (NLS) family of equations, including Hirota–Maxwell–Bloch equations, all in the presence of self-consistent potential fields. The associated gauge equivalent Lax pairs are also presented to confirm their integrability. - Highlights: • Geometry of continuum spin chain with self-consistent potentials explored. • Mapping on moving space curves in R{sup 3} in the presence of potential fields carried out. • Equivalent generalized nonlinear Schrödinger (NLS) family of equations identified. • Integrability of identified nonlinear systems proved by deducing appropriate Lax pairs.

  9. Thermodynamic assessments and inter-relationships between systems involving Al, Am, Ga, Pu, and U

    Energy Technology Data Exchange (ETDEWEB)

    Perron, A., E-mail: perron1@llnl.gov [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Turchi, P.E.A.; Landa, A. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Oudot, B.; Ravat, B.; Delaunay, F. [CEA-Centre de Valduc, 21120, Is sur Tille (France)

    2016-12-15

    A newly developed self-consistent CALPHAD thermodynamic database involving Al, Am, Ga, Pu, and U is presented. A first optimization of the slightly characterized Am-Al and completely unknown Am-Ga phase diagrams is proposed. To this end, phase diagram features as crystal structures, stoichiometric compounds, solubility limits, and melting temperatures have been studied along the U-Al → Pu-Al → Am-Al, and U-Ga → Pu-Ga → Am-Ga series, and the thermodynamic assessments involving Al and Ga alloying are compared. In addition, two distinct optimizations of the Pu-Al phase diagram are proposed to account for the low temperature and Pu-rich region controversy. The previously assessed thermodynamics of the other binary systems (Am-Pu, Am-U, Pu-U, and Al-Ga) is also included in the database and is briefly described in the present work. Finally, predictions on phase stability of ternary and quaternary systems of interest are reported to check the consistency of the database.

  10. Shock structure in continuum models of gas dynamics: stability and bifurcation analysis

    International Nuclear Information System (INIS)

    Simić, Srboljub S

    2009-01-01

    The problem of shock structure in gas dynamics is analysed through a comparative study of two continuum models: the parabolic Navier–Stokes–Fourier model and the hyperbolic system of 13 moments equations modeling viscous, heat-conducting monatomic gases within the context of extended thermodynamics. When dissipative phenomena are neglected these models both reduce to classical Euler's equations of gas dynamics. The shock profile solution, assumed in the form of a planar travelling wave, reduces the problem to a system of ordinary differential equations, and equilibrium states appear to be stationary points of the system. It is shown that in both models an upstream equilibrium state suffers an exchange of stability when the shock speed crosses the critical value which coincides with the highest characteristic speed of the Euler's system. At the same time a downstream equilibrium state could be seen as a steady bifurcating solution, while the shock profile represents a heteroclinic orbit connecting the two stationary points. Using centre manifold reduction it is demonstrated that both models, although mathematically different, obey the same transcritical bifurcation pattern in the neighbourhood of the bifurcation point corresponding to the critical value of shock speed, the speed of sound

  11. Application of a Modular Particle-Continuum Method to Partially Rarefied, Hypersonic Flow

    Science.gov (United States)

    Deschenes, Timothy R.; Boyd, Iain D.

    2011-05-01

    The Modular Particle-Continuum (MPC) method is used to simulate partially-rarefied, hypersonic flow over a sting-mounted planetary probe configuration. This hybrid method uses computational fluid dynamics (CFD) to solve the Navier-Stokes equations in regions that are continuum, while using direct simulation Monte Carlo (DSMC) in portions of the flow that are rarefied. The MPC method uses state-based coupling to pass information between the two flow solvers and decouples both time-step and mesh densities required by each solver. It is parallelized for distributed memory systems using dynamic domain decomposition and internal energy modes can be consistently modeled to be out of equilibrium with the translational mode in both solvers. The MPC results are compared to both full DSMC and CFD predictions and available experimental measurements. By using DSMC in only regions where the flow is nonequilibrium, the MPC method is able to reproduce full DSMC results down to the level of velocity and rotational energy probability density functions while requiring a fraction of the computational time.

  12. Statistical Thermodynamics and Microscale Thermophysics

    Science.gov (United States)

    Carey, Van P.

    1999-08-01

    Many exciting new developments in microscale engineering are based on the application of traditional principles of statistical thermodynamics. In this text Van Carey offers a modern view of thermodynamics, interweaving classical and statistical thermodynamic principles and applying them to current engineering systems. He begins with coverage of microscale energy storage mechanisms from a quantum mechanics perspective and then develops the fundamental elements of classical and statistical thermodynamics. Subsequent chapters discuss applications of equilibrium statistical thermodynamics to solid, liquid, and gas phase systems. The remainder of the book is devoted to nonequilibrium thermodynamics of transport phenomena and to nonequilibrium effects and noncontinuum behavior at the microscale. Although the text emphasizes mathematical development, Carey includes many examples and exercises to illustrate how the theoretical concepts are applied to systems of scientific and engineering interest. In the process he offers a fresh view of statistical thermodynamics for advanced undergraduate and graduate students, as well as practitioners, in mechanical, chemical, and materials engineering.

  13. Total joint arthroplasty: practice variation of physiotherapy across the continuum of care in Alberta

    Directory of Open Access Journals (Sweden)

    C. Allyson Jones

    2016-11-01

    Full Text Available Abstract Background Comprehensive and timely rehabilitation for total joint arthroplasty (TJA is needed to maximize recovery from this elective surgical procedure for hip and knee arthritis. Administrative data do not capture the variation of treatment for rehabilitation across the continuum of care for TJA, so we conducted a survey for physiotherapists to report practice for TJA across the continuum of care. The primary objective was to describe the reported practice of physiotherapy for TJA across the continuum of care within the context of a provincial TJA clinical pathway and highlight possible gaps in care. Method A cross-sectional on-line survey was accessible to licensed physiotherapists in Alberta, Canada for 11 weeks. Physiotherapists who treated at least five patients with TJA annually were asked to complete the survey. The survey consisted of 58 questions grouped into pre-operative, acute care and post-acute rehabilitation. Variation of practice was described in terms of number, duration and type of visits along with goals of care and program delivery methods. Results Of the 80 respondents, 26 (33 % stated they worked in small centres or rural settings in Alberta with the remaining respondents working in two large urban sites. The primary treatment goal differed for each phase across the continuum of care in that pre-operative phase was directed at improving muscle strength, functional activities were commonly reported for acute care, and post-acute phase was directed at improving joint range-of-motion. Proportionally, more physiotherapists from rural areas treated patients in out-patient hospital departments (59 %, whereas a higher proportion in urban physiotherapists saw patients in private clinics (48 %. Across the continuum of care, treatment was primarily delivered on an individual basis rather than in a group format. Conclusions Variation of practice reported with pre-and post-operative care in the community will stimulate

  14. Total joint arthroplasty: practice variation of physiotherapy across the continuum of care in Alberta.

    Science.gov (United States)

    Jones, C Allyson; Martin, Ruben San; Westby, Marie D; Beaupre, Lauren A

    2016-11-04

    Comprehensive and timely rehabilitation for total joint arthroplasty (TJA) is needed to maximize recovery from this elective surgical procedure for hip and knee arthritis. Administrative data do not capture the variation of treatment for rehabilitation across the continuum of care for TJA, so we conducted a survey for physiotherapists to report practice for TJA across the continuum of care. The primary objective was to describe the reported practice of physiotherapy for TJA across the continuum of care within the context of a provincial TJA clinical pathway and highlight possible gaps in care. A cross-sectional on-line survey was accessible to licensed physiotherapists in Alberta, Canada for 11 weeks. Physiotherapists who treated at least five patients with TJA annually were asked to complete the survey. The survey consisted of 58 questions grouped into pre-operative, acute care and post-acute rehabilitation. Variation of practice was described in terms of number, duration and type of visits along with goals of care and program delivery methods. Of the 80 respondents, 26 (33 %) stated they worked in small centres or rural settings in Alberta with the remaining respondents working in two large urban sites. The primary treatment goal differed for each phase across the continuum of care in that pre-operative phase was directed at improving muscle strength, functional activities were commonly reported for acute care, and post-acute phase was directed at improving joint range-of-motion. Proportionally, more physiotherapists from rural areas treated patients in out-patient hospital departments (59 %), whereas a higher proportion in urban physiotherapists saw patients in private clinics (48 %). Across the continuum of care, treatment was primarily delivered on an individual basis rather than in a group format. Variation of practice reported with pre-and post-operative care in the community will stimulate dialogue within the profession as to what is the minimal

  15. Continuum mechanics using Mathematica fundamentals, methods, and applications

    CERN Document Server

    Romano, Antonio

    2014-01-01

    This textbook's methodological approach familiarizes readers with the mathematical tools required to correctly define and solve problems in continuum mechanics. Covering essential principles and fundamental applications, this second edition of Continuum Mechanics using Mathematica® provides a solid basis for a deeper study of more challenging and specialized problems related to nonlinear elasticity, polar continua, mixtures, piezoelectricity, ferroelectricity, magneto-fluid mechanics, and state changes (see A. Romano, A. Marasco, Continuum Mechanics: Advanced Topics and Research Trends, Springer (Birkhäuser), 2010, ISBN 978-0-8176-4869-5). Key topics and features: * Concise presentation strikes a balance between fundamentals and applications * Requisite mathematical background carefully collected in two introductory chapters and one appendix * Recent developments highlighted through coverage of more significant applications to areas such as wave propagation, fluid mechanics, porous media, linear elasticity....

  16. ICMS Workshop on Differential Geometry and Continuum Mechanics

    CERN Document Server

    Grinfeld, Michael; Knops, R

    2015-01-01

    This book examines the exciting interface between differential geometry and continuum mechanics, now recognised as being of increasing technological significance. Topics discussed include isometric embeddings in differential geometry and the relation with microstructure in nonlinear elasticity, the use of manifolds in the description of microstructure in continuum mechanics, experimental measurement of microstructure, defects, dislocations, surface energies, and nematic liquid crystals. Compensated compactness in partial differential equations is also treated. The volume is intended for specialists and non-specialists in pure and applied geometry, continuum mechanics, theoretical physics, materials and engineering sciences, and partial differential equations. It will also be of interest to postdoctoral scientists and advanced postgraduate research students. These proceedings include revised written versions of the majority of papers presented by leading experts at the ICMS Edinburgh Workshop on Differential G...

  17. Thermodynamic matchers for the construction of the cuckoo RNA family.

    Science.gov (United States)

    Reinkensmeier, Jan; Giegerich, Robert

    2015-01-01

    RNA family models describe classes of functionally related, non-coding RNAs based on sequence and structure conservation. The most important method for modeling RNA families is the use of covariance models, which are stochastic models that serve in the discovery of yet unknown, homologous RNAs. However, the performance of covariance models in finding remote homologs is poor for RNA families with high sequence conservation, while for families with high structure but low sequence conservation, these models are difficult to built in the first place. A complementary approach to RNA family modeling involves the use of thermodynamic matchers. Thermodynamic matchers are RNA folding programs, based on the established thermodynamic model, but tailored to a specific structural motif. As thermodynamic matchers focus on structure and folding energy, they unfold their potential in discovering homologs, when high structure conservation is paired with low sequence conservation. In contrast to covariance models, construction of thermodynamic matchers does not require an input alignment, but requires human design decisions and experimentation, and hence, model construction is more laborious. Here we report a case study on an RNA family that was constructed by means of thermodynamic matchers. It starts from a set of known but structurally different members of the same RNA family. The consensus secondary structure of this family consists of 2 to 4 adjacent hairpins. Each hairpin loop carries the same motif, CCUCCUCCC, while the stems show high variability in their nucleotide content. The present study describes (1) a novel approach for the integration of the structurally varying family into a single RNA family model by means of the thermodynamic matcher methodology, and (2) provides the results of homology searches that were conducted with this model in a wide spectrum of bacterial species.

  18. A self-consistent model for thermodynamics of multicomponent solid solutions

    International Nuclear Information System (INIS)

    Svoboda, J.; Fischer, F.D.

    2016-01-01

    The self-consistent concept recently published in this journal (108, 27–30, 2015) is extended from a binary to a multicomponent system. This is possible by exploiting the trapping concept as basis for including the interaction of atoms in terms of pairs (e.g. A–A, B–B, C–C…) and couples (e.g. A–B, B–C, …) in a multicomponent system with A as solvent and B, C, … as dilute solutes. The model results in a formulation of Gibbs-energy, which can be minimized. Examples show that the couple and pair formation may influence the equilibrium Gibbs energy markedly.

  19. Flare continuum

    International Nuclear Information System (INIS)

    Robinson, R.D.

    1985-01-01

    This paper reviews the metre-wave continuum radiation which is related to similar solar emissions observed in the decimetre and centimetre spectral regions. This type of emission, known as Flare Contiuum, is related to the radio bursts of types II and IV. After summarising the history of the phenomenon and reviewing the observational work, the author discusses the various possible radiation mechanisms and their relation to the solar corona, the interplanetary medium and related regions. The theoretical topics covered include the role of high-energy particles, the trapping of such particles, gyro-synchrotron radiation, polarization and plasma interactions. (U.K.)

  20. Dynamic Modelling for Planar Extensible Continuum Robot Manipulators

    Science.gov (United States)

    2006-01-01

    to the OCTARM continuum ma- nipulator. The OCTARM manipulator is a biologically inspired soft robot manipulator resembling an elephant trunk or an... octopus arm [18]. The OCTARM, shown in Figure 1, is a three-section robot with nine degrees of freedom. Aside from two axis bending with constant...increasing interest in designing �biologically inspired � continuum robots . Some of these designs are mimicking trunks [8], [25], tentacles [17], [21], [24

  1. Thermodynamics an engineering approach

    CERN Document Server

    Cengel, Yunus A

    2014-01-01

    Thermodynamics, An Engineering Approach, eighth edition, covers the basic principles of thermodynamics while presenting a wealth of real-world engineering examples so students get a feel for how thermodynamics is applied in engineering practice. This text helps students develop an intuitive understanding by emphasizing the physics and physical arguments. Cengel and Boles explore the various facets of thermodynamics through careful explanations of concepts and use of numerous practical examples and figures, having students develop necessary skills to bridge the gap between knowledge and the confidence to properly apply their knowledge. McGraw-Hill is proud to offer Connect with the eighth edition of Cengel/Boles, Thermodynamics, An Engineering Approach. This innovative and powerful new system helps your students learn more efficiently and gives you the ability to assign homework problems simply and easily. Problems are graded automatically, and the results are recorded immediately. Track individual stude...

  2. Neoclassical Simulation of Tokamak Plasmas using Continuum Gyrokinetc Code TEMPEST

    International Nuclear Information System (INIS)

    Xu, X Q

    2007-01-01

    We present gyrokinetic neoclassical simulations of tokamak plasmas with self-consistent electric field for the first time using a fully nonlinear (full-f) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five dimensional computational grid in phase space. The present implementation is a Method of Lines approach where the phase-space derivatives are discretized with finite differences and implicit backwards differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving gyrokinetic Poisson equation with self-consistent poloidal variation. With our 4D (ψ, θ, ε, μ) version of the TEMPEST code we compute radial particle and heat flux, the Geodesic-Acoustic Mode (GAM), and the development of neoclassical electric field, which we compare with neoclassical theory with a Lorentz collision model. The present work provides a numerical scheme and a new capability for self-consistently studying important aspects of neoclassical transport and rotations in toroidal magnetic fusion devices

  3. Generalized Continuum: from Voigt to the Modeling of Quasi-Brittle Materials

    Directory of Open Access Journals (Sweden)

    Jamile Salim Fuina

    2010-12-01

    Full Text Available This article discusses the use of the generalized continuum theories to incorporate the effects of the microstructure in the nonlinear finite element analysis of quasi-brittle materials and, thus, to solve mesh dependency problems. A description of the problem called numerically induced strain localization, often found in Finite Element Method material non-linear analysis, is presented. A brief historic about the Generalized Continuum Mechanics based models is presented, since the initial work of Voigt (1887 until the more recent studies. By analyzing these models, it is observed that the Cosserat and microstretch approaches are particular cases of a general formulation that describes the micromorphic continuum. After reporting attempts to incorporate the material microstructure in Classical Continuum Mechanics based models, the article shows the recent tendency of doing it according to assumptions of the Generalized Continuum Mechanics. Finally, it presents numerical results which enable to characterize this tendency as a promising way to solve the problem.

  4. Thermodynamics of adaptive molecular resolution.

    Science.gov (United States)

    Delgado-Buscalioni, R

    2016-11-13

    A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U (1) -U (0) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

  5. Nuclear structure investigations with inclusion of continuum states

    International Nuclear Information System (INIS)

    Rotter, I.

    1983-09-01

    The influence of the continuum on the properties of discrete nuclear states is reviewed. It is described on the basis of a continuum shell model. The coupling of the discrete states to the continuum results in an additional term to the Hamiltonian, commonly used in the study of nuclear structure, and an additional term to the wavefunction of the discrete state. These additional terms characterise finite nuclei in contrast to nuclear matter. They result in some symmetry violation of the residual nuclear interaction such as charge symmetry violation, and describe the nuclear surface, respectively. The energies and widths of resonance states result from the complex eigenvalues of the Hamiltonian. The partial widths are shown to be factorisable into a spectroscopic factor and into a penetration factor if the spectroscopic factor is large. An expression for the S-matrix is derived in which instead of the so-called resonance parameters, functions appear which are calculated in the framework of the model. The line shape of resonances is also influenced by these functions. As an extreme case, a resonance may have the appearance of a cusp. The conclusions drawn are supported by the results of numerical calculations performed in the continuum shell model for light nuclei with realistic shell model wavefunctions. (author)

  6. Thermodynamic cycle calculations for a pumped gaseous core fission reactor

    International Nuclear Information System (INIS)

    Kuijper, J.C.; Van Dam, H.

    1991-01-01

    Finite and 'infinitesimal' thermodynamic cycle calculations have been performed for a 'solid piston' model of a pumped Gaseous Core Fission Reactor with dissociating reactor gas, consisting of Uranium, Carbon and Fluorine ('UCF'). In the finite cycle calculations the influence has been investigated of several parameters on the thermodynamics of the system, especially on the attainable direct (nuclear to electrical) energy conversion efficiency. In order to facilitate the investigation of the influence of dissociation, a model gas, 'Modelium', was developed, which approximates, in a simplified, analytical way, the dissociation behaviour of the 'real' reactor gas. Comparison of the finite cycle calculation results with those of a so-called infinitesimal Otto cycle calculation leads to the conclusion that the conversion efficiency of a finite cycle can be predicted, without actually performing the finite cycle calculation, with reasonable accuracy, from the so-called 'infinitesimal efficiency factor', which is determined only by the thermodynamic properties of the reactor gas used. (author)

  7. Continuum of Counseling Goals: A Framework for Differentiating Counseling Strategies.

    Science.gov (United States)

    Bruce, Paul

    1984-01-01

    Presents counseling goals in a developmental continuum similar in concept to Maslow's hierarchy of needs. Discusses ego development goals, socialization goals, developmental goals, self-esteem goals, and self-realization goals and describes characteristics and implications of the continuum. (JAC)

  8. The geometry of continuum regularization

    International Nuclear Information System (INIS)

    Halpern, M.B.

    1987-03-01

    This lecture is primarily an introduction to coordinate-invariant regularization, a recent advance in the continuum regularization program. In this context, the program is seen as fundamentally geometric, with all regularization contained in regularized DeWitt superstructures on field deformations

  9. HIV continuum of care in Europe and Central Asia.

    Science.gov (United States)

    Drew, R S; Rice, B; Rüütel, K; Delpech, V; Attawell, K A; Hales, D K; Velasco, C; Amato-Gauci, A J; Pharris, A; Tavoschi, L; Noori, T

    2017-08-01

    The European Centre for Disease Prevention and Control (ECDC) supports countries to monitor progress in their response to the HIV epidemic. In line with these monitoring responsibilities, we assess how, and to what extent, the continuum of care is being measured across countries. The ECDC sent out questionnaires to 55 countries in Europe and Central Asia in 2014. Nominated country representatives were questioned on how they defined and measured six elements of the continuum. We present our results using three previously described frameworks [breakpoints; Joint United Nations Programme on HIV/AIDS (UNAIDS) 90-90-90 targets; diagnosis and treatment quadrant]. Forty countries provided data for at least one element of the continuum. Countries reported most frequently on the number of people diagnosed with HIV infection (37; 93%), and on the number in receipt of antiretroviral therapy (ART) (35; 88%). There was little consensus across countries in their approach to defining linkage to, and retention in, care. The most common breakpoint (>19% reduction between two adjacent elements) related to the estimated number of people living with HIV who were diagnosed (18 of 23; 78%). We present continuum data from multiple countries that provide both a snapshot of care provision and a baseline against which changes over time in care provision across Europe and Central Asia may be measured. To better inform HIV testing and treatment programmes, standard data collection approaches and definitions across the HIV continuum of care are needed. If countries wish to ensure an unbroken HIV continuum of care, people living with HIV need to be diagnosed promptly, and ART needs to be offered to all those diagnosed. © 2017 The Authors. HIV Medicine published by John Wiley & Sons Ltd on behalf of British HIV Association.

  10. Mesoscopic nonequilibrium thermodynamics of solid surfaces and interfaces with triple junction singularities under the capillary and electromigration forces in anisotropic three-dimensional space.

    Science.gov (United States)

    Ogurtani, Tarik Omer

    2006-04-14

    A theory of irreversible thermodynamics of curved surfaces and interfaces with triple junction singularities is elaborated to give a full consideration of the effects of the specific surface Gibbs free energy anisotropy in addition to the diffusional anisotropy, on the morphological evolution of surfaces and interfaces in crystalline solids. To entangle this intricate problem, the internal entropy production associated with arbitrary virtual displacements of triple junction and ordinary points on the interfacial layers, embedded in a multicomponent, multiphase, anisotropic composite continuum system, is formulated by adapting a mesoscopic description of the orientation dependence of the chemical potentials in terms of the rotational degree of freedom of individual microelements. The rate of local internal entropy production resulted generalized forces and conjugated fluxes not only for the grain boundary triple junction transversal and longitudinal movements, but also for the ordinary points. The natural combination of the mesoscopic approach coupled with the rigorous theory of irreversible thermodynamics developed previously by the global entropy production hypothesis yields a well-posed, nonlinear, moving free-boundary value problem in two-dimensional (2D) space, as a unified theory. The results obtained for 2D space are generalized into the three-dimensional continuum by utilizing the invariant properties of the vector operators in connection with the descriptions of curved surfaces in differential geometry. This mathematical model after normalization and scaling procedures may be easily adapted for computer simulation studies without introducing any additional phenomenological system parameters (the generalized mobilities), other than the enlarged concept of the surface stiffness.

  11. The finite temperature QCD phase transition and the thermodynamic equation of state. An investigation employing lattice QCD with Nf=2 twisted mass quarks

    International Nuclear Information System (INIS)

    Burger, Florian

    2012-01-01

    In this thesis we report about an investigation of the finite temperature crossover/phase transition of quantum chromodynamics and the evaluation of the thermodynamic equation of state. To this end the lattice method and the Wilson twisted mass discretisation of the quark action are used. This formulation is known to have an automatic improvement of lattice artifacts and thus an improved continuum limit behaviour. This work presents first robust results using this action for the non-vanishing temperature case. We investigate the chiral limit of the two flavour phase transition with several small values of the pion mass in order to address the open question of the order of the transition in the limit of vanishing quark mass. For the currently simulated pion masses in the range of 300 to 700 MeV we present evidence that the finite temperature transition is a crossover transition rather than a genuine phase transition. The chiral limit is investigated by comparing the scaling of the observed crossover temperature with the mass including several possible scenarios. Complementary to this approach the chiral condensate as the order parameter for the spontaneous breaking of chiral symmetry is analysed in comparison with the O(4) universal scaling function which characterises a second order transition. With respect to thermodynamics the equation of state is obtained from the trace anomaly employing the temperature integral method which provides the pressure and energy density in the crossover region. The continuum limit of the trace anomaly is studied by considering several values of N τ and the tree-level correction technique.

  12. Equilibrium thermodynamics - Callen's postulational approach

    NARCIS (Netherlands)

    Jongschaap, R.J.J.; Öttinger, Hans Christian

    2001-01-01

    In order to provide the background for nonequilibrium thermodynamics, we outline the fundamentals of equilibrium thermodynamics. Equilibrium thermodynamics must not only be obtained as a special case of any acceptable nonequilibrium generalization but, through its shining example, it also elucidates

  13. Analysis of the Glass-Forming Ability of Fe-Er Alloys, Based on Thermodynamic Modeling

    Science.gov (United States)

    Arutyunyan, N. A.; Zaitsev, A. I.; Dunaev, S. F.; Kalmykov, K. B.; El'nyakov, D. D.; Shaposhnikov, N. G.

    2018-05-01

    The Fe-Er phase diagram and thermodynamic properties of all its phases are assessed by means of self-consistent analysis. To refine the data on phase equilibria in the Fe-Er system, an investigation is performed in the 10-40 at % range of Er concentrations. The temperature-concentration dependences of the thermodynamic properties of a melt are presented using the model of ideal associated solutions. Thermodynamic parameters of each phase are obtained, and the calculated results are in agreement with available experimental data. The correlation between the thermodynamic properties of liquid Fe-Er alloys and their tendency toward amorphization are studied. It is shown that compositions of amorphous alloys prepared by melt quenching coincide with the ranges of concentration with the predominance of Fe3Er and FeEr2 associative groups that have large negative entropies of formation.

  14. Consistent vapour-liquid equilibrium data containing lipids

    DEFF Research Database (Denmark)

    Cunico, Larissa; Ceriani, Roberta; Sarup, Bent

    Consistent physical and thermodynamic properties of pure components and their mixtures are important for process design, simulation, and optimization as well as design of chemical based products. In the case of lipids, it was observed a lack of experimental data for pure compounds and also...... for their mixtures in open literature, what makes necessary the development of reliable predictive models based on limited data. To contribute to the missing data, measurements of isobaric vapour-liquid equilibrium (VLE) data of three binary mixtures at two different pressures were performed at State University...

  15. Radio-continuum emission from quasar host galaxies

    International Nuclear Information System (INIS)

    Condon, J. J.; Gower, A. C.; Hutchings, J. B.; Victoria Univ., Canada; Dominion Astrophysical Observatory, Victoria)

    1987-01-01

    Seven low-redshift quasars that are likely to be in spiral galaxies have been observed in a search for radio-continuum emission from the host galaxies of quasars. The properties of the individual quasars are listed, and 1.49 GHz contour maps of the seven quasar fields are presented. Map parameters and radio source parameters are given along with optical images of three of the objects. The results indicate that these quasars probably do reside in spiral galaxies. The radio luminosities, sizes, orientations, and u values all indicate that relativistic beaming alone cannot be used to explain the differences between the present sources and the far stronger radio sources seen in blazars or larger optically selected quasar samples. However, an apparent correlation between the radio luminosity and the ratio of the optical nuclear to host-galaxy luminosity is consistent with some beaming of nuclear radiation. 26 references

  16. Thermodynamics for the practicing engineer

    CERN Document Server

    Theodore, Louis; Vanvliet, Timothy

    2009-01-01

    This book concentrates specifically on the applications of thermodynamics, rather than the theory. It addresses both technical and pragmatic problems in the field, and covers such topics as enthalpy effects, equilibrium thermodynamics, non-ideal thermodynamics and energy conversion applications. Providing the reader with a working knowledge of the principles of thermodynamics, as well as experience in their application, it stands alone as an easy-to-follow self-teaching aid to practical applications and contains worked examples.

  17. An improved thermodynamic perturbation theory for Mercedes-Benz water.

    Science.gov (United States)

    Urbic, T; Vlachy, V; Kalyuzhnyi, Yu V; Dill, K A

    2007-11-07

    We previously applied Wertheim's thermodynamic perturbation theory for associative fluids to the simple Mercedes-Benz model of water. We found that the theory reproduced well the physical properties of hot water, but was less successful in capturing the more structured hydrogen bonding that occurs in cold water. Here, we propose an improved version of the thermodynamic perturbation theory in which the effective density of the reference system is calculated self-consistently. The new theory is a significant improvement, giving good agreement with Monte Carlo simulations of the model, and predicting key anomalies of cold water, such as minima in the molar volume and large heat capacity, in addition to giving good agreement with the isothermal compressibility and thermal expansion coefficient.

  18. Discrimination between discrete and continuum scattering from the sub-seafloor.

    Science.gov (United States)

    Holland, Charles W; Steininger, Gavin; Dosso, Stan E

    2015-08-01

    There is growing evidence that seabed scattering is often dominated by heterogeneities within the sediment volume as opposed to seafloor roughness. From a theoretical viewpoint, sediment volume heterogeneities can be described either by a fluctuation continuum or by discrete particles. In at-sea experiments, heterogeneity characteristics generally are not known a priori. Thus, an uninformed model selection is generally made, i.e., the researcher must arbitrarily select either a discrete or continuum model. It is shown here that it is possible to (acoustically) discriminate between continuum and discrete heterogeneities in some instances. For example, when the spectral exponent γ3>4, the volume scattering cannot be described by discrete particles. Conversely, when γ3≤2, the heterogeneities likely arise from discrete particles. Furthermore, in the range 2discrete vs continuum heterogeneities via acoustic remote sensing may lead to improved observations and concomitant increased understanding of the marine benthic environment.

  19. Thermodynamic tables for nuclear waste isolation

    International Nuclear Information System (INIS)

    Phillips, S.L.; Hale, F.V.; Silvester, L.F.; Siegel, M.D.

    1988-05-01

    Tables of consistent thermodynamic property values for nuclear waste isolation are given. The tables include critically assessed values for Gibbs energy of formation, enthalpy of formation, entropy and heat capacity for minerals; solids; aqueous ions; ion pairs and complex ions of selected actinide and fission decay products at 25 degree C and zero ionic strength. These intrinsic data are used to calculate equilibrium constants and standard potentials which are compared with typical experimental measurements and other work. Recommendations for additional research are given. 13 figs., 23 tabs

  20. Thermodynamic aspects of grain refinement of Al-Si alloys using Ti and B

    Energy Technology Data Exchange (ETDEWEB)

    Groebner, Joachim [Technical University of Clausthal, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Mirkovic, Djordje [Technical University of Clausthal, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Schmid-Fetzer, Rainer [Technical University of Clausthal, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)]. E-mail: schmid-fetzer@tu-clausthal.de

    2005-03-25

    A thermodynamic assessment of ternary Al-Si-Ti phases was performed. Published datasets for the other subsystems were checked and adapted. Based on that, a consistent thermodynamic description of quaternary Al-Si-Ti-B alloys was generated. This was applied in a calculation of Al-Si-Ti-B phase diagram sections for practically relevant temperatures and compositions of Al-Si alloys from Al-rich to typical Al-Si foundry alloys. These stable and metastable phase diagrams could be correlated to many detailed aspects of possible reactions observed or suggested in experimental studies of grain refining. Understanding the mechanisms of grain refining of Al wrought alloys and Al-Si foundry alloys using titanium and boron requires a fundamental knowledge of both thermodynamic and kinetic aspects of this complex process. This work focuses exclusively on the thermodynamic aspects and the phase diagrams, which were not available for the quaternary alloys and partly incomplete and inconsistent for the ternary subsystems.

  1. Self-consistency condition and high-density virial theorem in relativistic many-particle systems

    International Nuclear Information System (INIS)

    Kalman, G.; Canuto, V.; Datta, B.

    1976-01-01

    In order for the thermodynamic and kinetic definitions of the chemical potential and the pressure to lead to identical results a nontrivial self-consistency criterion has to be satisfied. This, in turn, leads to a virial-like theorem in the high-density limit

  2. Continuum gauge fields from lattice gauge fields

    International Nuclear Information System (INIS)

    Goeckeler, M.; Kronfeld, A.S.; Schierholz, G.; Wiese, U.J.

    1993-01-01

    On the lattice some of the salient features of pure gauge theories and of gauge theories with fermions in complex representations of the gauge group seem to be lost. These features can be recovered by considering part of the theory in the continuum. The prerequisite for that is the construction of continuum gauge fields from lattice gauge fields. Such a construction, which is gauge covariant and complies with geometrical constructions of the topological charge on the lattice, is given in this paper. The procedure is explicitly carried out in the U(1) theory in two dimensions, where it leads to simple results. (orig.)

  3. Polyakov loop and QCD thermodynamics from the gluon and ghost propagators

    International Nuclear Information System (INIS)

    Fukushima, Kenji; Kashiwa, Kouji

    2013-01-01

    We investigate quark deconfinement by calculating the effective potential of the Polyakov loop using the non-perturbative propagators in the Landau gauge measured in the finite-temperature lattice simulation. With the leading term in the 2-particle-irreducible formalism the resultant effective potential exhibits a first-order phase transitions for the pure SU(3) Yang–Mills theory at the critical temperature consistent with the empirical value. We also estimate the thermodynamic quantities to confirm qualitative agreement with the lattice data near the critical temperature. We then apply our effective potential to the chiral model-study and calculate the order parameters and the thermodynamic quantities. Unlike the case in the pure Yang–Mills theory the thermodynamic quantities are sensitive to the temperature dependence of the non-perturbative propagators, while the behavior of the order parameters is less sensitive, which implies the importance of the precise determination of the temperature-dependent propagators

  4. Thermodynamics: The Unique Universal Science

    Directory of Open Access Journals (Sweden)

    Wassim M. Haddad

    2017-11-01

    Full Text Available Thermodynamics is a physical branch of science that governs the thermal behavior of dynamical systems from those as simple as refrigerators to those as complex as our expanding universe. The laws of thermodynamics involving conservation of energy and nonconservation of entropy are, without a doubt, two of the most useful and general laws in all sciences. The first law of thermodynamics, according to which energy cannot be created or destroyed, merely transformed from one form to another, and the second law of thermodynamics, according to which the usable energy in an adiabatically isolated dynamical system is always diminishing in spite of the fact that energy is conserved, have had an impact far beyond science and engineering. In this paper, we trace the history of thermodynamics from its classical to its postmodern forms, and present a tutorial and didactic exposition of thermodynamics as it pertains to some of the deepest secrets of the universe.

  5. Expansion of continuum functions on resonance wave functions and amplitudes

    International Nuclear Information System (INIS)

    Bang, J.; Gareev, F.A.; Gizzatkulov, M.H.; Goncharov, S.A.

    1978-01-01

    To overcome difficulties encountered with wave functions of continuum spectrum (for example, in a shell model with continuum) the pole expansion (by the Mittag-Leffler theorem) of wave functions, scattering amplitudes and the Green functions with positive energies are considered. It is shown that resonance functions (the Gamov functions) form a complete set over which the continuum functions could be expanded. The general view of these expansions for final potentials and for the Coulomb repulsion potential are obtained and discussed. It is shown that the application of the method to nuclear structure calculations leads to simple algebraic equations

  6. Non-classical solutions of a continuum model for rock descriptions

    Directory of Open Access Journals (Sweden)

    Mikhail A. Guzev

    2014-06-01

    Full Text Available The strain-gradient and non-Euclidean continuum theories are employed for construction of non-classical solutions of continuum models. The linear approximation of both models' results in identical structures in terms of their kinematic and stress characteristics. The solutions obtained in this study exhibit a critical behaviour with respect to the external loading parameter. The conclusions are obtained based on an investigation of the solution for the scalar curvature in the non-Euclidean continuum theory. The proposed analysis enables us to use different theoretical approaches for description of rock critical behaviour under different loading conditions.

  7. Reducing Actuator Requirements in Continuum Robots Through Optimized Cable Routing.

    Science.gov (United States)

    Case, Jennifer C; White, Edward L; SunSpiral, Vytas; Kramer-Bottiglio, Rebecca

    2018-02-01

    Continuum manipulators offer many advantages compared to their rigid-linked counterparts, such as increased degrees of freedom and workspace volume. Inspired by biological systems, such as elephant trunks and octopus tentacles, many continuum manipulators are made of multiple segments that allow large-scale deformations to be distributed throughout the body. Most continuum manipulators currently control each segment individually. For example, a planar cable-driven system is typically controlled by a pair of cables for each segment, which implies two actuators per segment. In this article, we demonstrate how highly coupled crossing cable configurations can reduce both actuator count and actuator torque requirements in a planar continuum manipulator, while maintaining workspace reachability and manipulability. We achieve highly coupled actuation by allowing cables to cross through the manipulator to create new cable configurations. We further derive an analytical model to predict the underactuated manipulator workspace and experimentally verify the model accuracy with a physical system. We use this model to compare crossing cable configurations to the traditional cable configuration using workspace performance metrics. Our work here focuses on a simplified planar robot, both in simulation and in hardware, with the goal of extending this to spiraling-cable configurations on full 3D continuum robots in future work.

  8. The learning continuum based on student's level of competence and specific pedagogical learning material on physiological aspects from teachers's opinions

    Science.gov (United States)

    Hadi, Ria Fitriyani; Subali, Bambang

    2017-08-01

    The scope of learning continuum at the conceptual knowledge is formulated based on the student's level of competence and specific pedagogical learning material. The purpose of this study is to develop a learning continuum of specific pedagogical material aspects of physiology targeted for students in primary and secondary education. This research was conducted in Province of Yogyakarta Special Region from October 2016 to January 2017. The method used in this study was survey method. The data were collected using questionnaire that had been validated from the aspects of construct validity and experts judgements. Respondents in this study consist of 281 Science/Biology teachers at Public Junior and Senior High Schools in the Province of Yogyakarta Special Region which spread in Yogyakarta city and 4 regencies namely Sleman, Bantul, Kulonprogo, and Gunungkidul. The data were taken using a census. Data were analyzed using a descriptive analysis technique. The results show the learning continuum of physiology based on teachers's opinion from grade VII, VIII, and IX are taught in grade VII, VIII, IX and X on level of C2 (understanding) and the learning continuum of physiology based on teachers's opinion from grade X, XI and XII are taught in grade X and XI on level of C2 (understanding), C3 (applying), and C4 (analyzing) based on teachers's opinions. The conclusion is that many teachers refer to the existing curriculum rather than their own original idea for developing learning continuum.

  9. A continuum model for the anisotropic creep of single crystal nickel-based superalloys

    International Nuclear Information System (INIS)

    Prasad, Sharat C.; Rajagopal, K.R.; Rao, I.J.

    2006-01-01

    In this paper, we extend the constitutive theory developed by Prasad et al. [Prasad SC, Rao IJ, Rajagopal KR. A continuum model for the creep of single crystal nickel-base superalloys. Acta Mater 2005;53(3):669-79], to describe the creep anisotropy associated with crystallographic orientation in single crystal nickel-based superalloys. The constitutive theory is cast within a general thermodynamic framework that has been developed to describe the response of materials capable of existing in multiple stress free configurations ('natural configurations'). Central to the theory is the prescription of the forms for the stored energy and rate of dissipation functions. The stored energy reflects the fact that the elastic response exhibits cubic symmetry. The model takes into account the fact that the symmetry of single crystals does not change with inelastic deformation. The rate of dissipation function is also chosen to be anisotropic, in that it reflects invariance to transformations that belong to the cubic symmetry group. The model is used to simulate uniaxial creep of single crystal nickel-based superalloy CMSX-4 for loading along the , and orientations. The predictions of the theory agree well with the experimental data

  10. Experimental approaches to membrane thermodynamics

    DEFF Research Database (Denmark)

    Westh, Peter

    2009-01-01

    Thermodynamics describes a system on the macroscopic scale, yet it is becoming an important tool for the elucidation of many specific molecular aspects of membrane properties. In this note we discuss this application of thermodynamics, and give a number of examples on how thermodynamic measurements...... have contributed to the understanding of specific membrane phenomena. We mainly focus on non-specific interactions of bilayers and small molecules (water and solutes) in the surrounding solvent, and the changes in membrane properties they bring about. Differences between thermodynamic...

  11. Black Holes and Thermodynamics

    OpenAIRE

    Wald, Robert M.

    1997-01-01

    We review the remarkable relationship between the laws of black hole mechanics and the ordinary laws of thermodynamics. It is emphasized that - in analogy with the laws of thermodynamics - the validity the laws of black hole mechanics does not appear to depend upon the details of the underlying dynamical theory (i.e., upon the particular field equations of general relativity). It also is emphasized that a number of unresolved issues arise in ``ordinary thermodynamics'' in the context of gener...

  12. Numerical implementation and oceanographic application of the Gibbs thermodynamic potential of seawater

    Directory of Open Access Journals (Sweden)

    R. Feistel

    2005-01-01

    Full Text Available The 2003 Gibbs thermodynamic potential function represents a very accurate, compact, consistent and comprehensive formulation of equilibrium properties of seawater. It is expressed in the International Temperature Scale ITS-90 and is fully consistent with the current scientific pure water standard, IAPWS-95. Source code examples in FORTRAN, C++ and Visual Basic are presented for the numerical implementation of the potential function and its partial derivatives, as well as for potential temperature. A collection of thermodynamic formulas and relations is given for possible applications in oceanography, from density and chemical potential over entropy and potential density to mixing heat and entropy production. For colligative properties like vapour pressure, freezing points, and for a Gibbs potential of sea ice, the equations relating the Gibbs function of seawater to those of vapour and ice are presented.

  13. Thermodynamic study of fluid in terms of equation of state containing physical parameters

    International Nuclear Information System (INIS)

    Khasare, S. B.

    2015-01-01

    We introduce a simple condition for one mole fluid by considering the thermodynamics of molecules pointing towards the effective potential for the cluster. Efforts are made to estimate new physical parameter f in liquid state using the equation of state containing only two physical parameters such as the hard sphere diameter and binding energy. The temperature dependence of the structural properties and the thermodynamic behavior of the clusters are studied. Computations based on f predict the variation of numbers of particles at the contact point of the molecular cavity (radial distribution function). From the thermodynamic profile of the fluid, the model results are discussed in terms of the cavity due to the closed surface along with suitable energy. The present calculation is based upon the sample thermodynamic data for n-hexanol, such as the ultrasonic wave, density, volume expansion coefficient, and ratio of specific heat in the liquid state, and it is consistent with the thermodynamic relations containing physical parameters such as size and energy. Since the data is restricted to n-hexanol, we avoid giving the physical meaning of f, which is the key parameter studied in the present work. (paper)

  14. Thermodynamics and statistical physics. 2. rev. ed.

    International Nuclear Information System (INIS)

    Schnakenberg, J.

    2002-01-01

    This textbook covers tthe following topics: Thermodynamic systems and equilibrium, irreversible thermodynamics, thermodynamic potentials, stability, thermodynamic processes, ideal systems, real gases and phase transformations, magnetic systems and Landau model, low temperature thermodynamics, canonical ensembles, statistical theory, quantum statistics, fermions and bosons, kinetic theory, Bose-Einstein condensation, photon gas

  15. Thermodynamic and thermoeconomic analyses of a trigeneration (TRIGEN) system with a gas-diesel engine: Part I - Methodology

    International Nuclear Information System (INIS)

    Balli, Ozgur; Aras, Haydar; Hepbasli, Arif

    2010-01-01

    This paper consists of two parts. Part 1 deals with the thermodynamic and thermoeconomic methodology of a trigeneration (TRIGEN) system with a rated output of 6.5 MW gas-diesel engine while the application of the methodology is presented in Part 2. The system has been installed in the Eskisehir Industry Estate Zone in Turkey. Thermodynamic methodology includes the relations and performance parameters for energy and exergy analysis, while thermoeconomic methodology covers the cost balance relations, cost of products and thermodynamic inefficiencies, relative cost difference and exergoeconomic factor.

  16. Computational Method for Atomistic-Continuum Homogenization

    National Research Council Canada - National Science Library

    Chung, Peter

    2002-01-01

    The homogenization method is used as a framework for developing a multiscale system of equations involving atoms at zero temperature at the small scale and continuum mechanics at the very large scale...

  17. Molecular thermodynamics of nonideal fluids

    CERN Document Server

    Lee, Lloyd L

    2013-01-01

    Molecular Thermodynamics of Nonideal Fluids serves as an introductory presentation for engineers to the concepts and principles behind and the advances in molecular thermodynamics of nonideal fluids. The book covers related topics such as the laws of thermodynamics; entropy; its ensembles; the different properties of the ideal gas; and the structure of liquids. Also covered in the book are topics such as integral equation theories; theories for polar fluids; solution thermodynamics; and molecular dynamics. The text is recommended for engineers who would like to be familiarized with the concept

  18. Coherence and measurement in quantum thermodynamics.

    Science.gov (United States)

    Kammerlander, P; Anders, J

    2016-02-26

    Thermodynamics is a highly successful macroscopic theory widely used across the natural sciences and for the construction of everyday devices, from car engines to solar cells. With thermodynamics predating quantum theory, research now aims to uncover the thermodynamic laws that govern finite size systems which may in addition host quantum effects. Recent theoretical breakthroughs include the characterisation of the efficiency of quantum thermal engines, the extension of classical non-equilibrium fluctuation theorems to the quantum regime and a new thermodynamic resource theory has led to the discovery of a set of second laws for finite size systems. These results have substantially advanced our understanding of nanoscale thermodynamics, however putting a finger on what is genuinely quantum in quantum thermodynamics has remained a challenge. Here we identify information processing tasks, the so-called projections, that can only be formulated within the framework of quantum mechanics. We show that the physical realisation of such projections can come with a non-trivial thermodynamic work only for quantum states with coherences. This contrasts with information erasure, first investigated by Landauer, for which a thermodynamic work cost applies for classical and quantum erasure alike. Repercussions on quantum work fluctuation relations and thermodynamic single-shot approaches are also discussed.

  19. Solvation thermodynamics

    CERN Document Server

    Ben-Naim, Arieh

    1987-01-01

    This book deals with a subject that has been studied since the beginning of physical chemistry. Despite the thousands of articles and scores of books devoted to solvation thermodynamics, I feel that some fundamen­ tal and well-established concepts underlying the traditional approach to this subject are not satisfactory and need revision. The main reason for this need is that solvation thermodynamics has traditionally been treated in the context of classical (macroscopic) ther­ modynamics alone. However, solvation is inherently a molecular pro­ cess, dependent upon local rather than macroscopic properties of the system. Therefore, the starting point should be based on statistical mechanical methods. For many years it has been believed that certain thermodynamic quantities, such as the standard free energy (or enthalpy or entropy) of solution, may be used as measures of the corresponding functions of solvation of a given solute in a given solvent. I first challenged this notion in a paper published in 1978 b...

  20. Modern thermodynamics

    CERN Document Server

    Ben-Naim, Arieh

    2017-01-01

    This textbook introduces thermodynamics with a modern approach, starting from four fundamental physical facts (the atomic nature of matter, the indistinguishability of atoms and molecules of the same species, the uncertainty principle, and the existence of equilibrium states) and analyzing the behavior of complex systems with the tools of information theory, in particular with Shannon's measure of information (or SMI), which can be defined on any probability distribution. SMI is defined and its properties and time evolution are illustrated, and it is shown that the entropy is a particular type of SMI, i.e. the SMI related to the phase-space distribution for a macroscopic system at equilibrium. The connection to SMI allows the reader to understand what entropy is and why isolated systems follow the Second Law of Thermodynamics. The Second Llaw is also formulated for other systems, not thermally isolated and even open with respect to the transfer of particles. All the fundamental aspects of thermodynamics are d...

  1. A theoretical view on the thermodynamic cis-trans equilibrium of dihalo ruthenium olefin metathesis (pre-)catalysts

    KAUST Repository

    Pump, Eva

    2015-02-24

    Abstract: This work was conducted to provide an overview on the position of the thermodynamic cis–trans equilibrium of 85 conventional and X-chelated alkylidene-ruthenium complexes (X=O, S, Se, N, P, Cl, I, Br). The reported energies (ΔE) were obtained through single-point calculations with M06 functional and TZVP basis set from BP86/SVP-optimized cis- and trans-dichloro geometries and using the polarizable continuum model to simulate the influence of the solvent. Dichloromethane and toluene were selected as examples for solvents with high and low dielectric constants. The obtained relative stabilities of the cis- and trans-dihalo derivatives of the respective alkylidene complexes will serve for a better explanation of their catalytic activity as has been disclosed herein with selected examples.Graphical abstract: [Figure not available: see fulltext.

  2. A constitutive model of soft tissue: From nanoscale collagen to tissue continuum

    KAUST Repository

    Tang, Huang

    2009-04-08

    Soft collagenous tissue features many hierarchies of structure, starting from tropocollagen molecules that form fibrils, and proceeding to a bundle of fibrils that form fibers. Here we report the development of an atomistically informed continuum model of collagenous tissue. Results from full atomistic and molecular modeling are linked with a continuum theory of a fiber-reinforced composite, handshaking the fibril scale to the fiber and continuum scale in a hierarchical multi-scale simulation approach. Our model enables us to study the continuum-level response of the tissue as a function of cross-link density, making a link between nanoscale collagen features and material properties at larger tissue scales. The results illustrate a strong dependence of the continuum response as a function of nanoscopic structural features, providing evidence for the notion that the molecular basis for protein materials is important in defining their larger-scale mechanical properties. © 2009 Biomedical Engineering Society.

  3. Adhesive contact: from atomistic model to continuum model

    International Nuclear Information System (INIS)

    Fan Kang-Qi; Jia Jian-Yuan; Zhu Ying-Min; Zhang Xiu-Yan

    2011-01-01

    Two types of Lennard-Jones potential are widely used in modeling adhesive contacts. However, the relationships between the parameters of the two types of Lennard-Jones potential are not well defined. This paper employs a self-consistent method to derive the Lennard-Jones surface force law from the interatomic Lennard-Jones potential with emphasis on the relationships between the parameters. The effect of using correct parameters in the adhesion models is demonstrated in single sphere-flat contact via continuum models and an atomistic model. Furthermore, the adhesion hysteresis behaviour is investigated, and the S-shaped force-distance relation is revealed by the atomistic model. It shows that the adhesion hysteresis loop is generated by the jump-to-contact and jump-off-contact, which are illustrated by the S-shaped force-distance curve. (atomic and molecular physics)

  4. Thermodynamically efficient solar concentrators

    Science.gov (United States)

    Winston, Roland

    2012-10-01

    Non-imaging Optics is the theory of thermodynamically efficient optics and as such depends more on thermodynamics than on optics. Hence in this paper a condition for the "best" design is proposed based on purely thermodynamic arguments, which we believe has profound consequences for design of thermal and even photovoltaic systems. This new way of looking at the problem of efficient concentration depends on probabilities, the ingredients of entropy and information theory while "optics" in the conventional sense recedes into the background.

  5. Thermodynamics of quantum strings

    CERN Document Server

    Morgan, M J

    1994-01-01

    A statistical mechanical analysis of an ideal gas of non-relativistic quantum strings is presented, in which the thermodynamic properties of the string gas are calculated from a canonical partition function. This toy model enables students to gain insight into the thermodynamics of a simple 'quantum field' theory, and provides a useful pedagogical introduction to the more complicated relativistic string theories. A review is also given of the thermodynamics of the open bosonic string gas and the type I (open) superstring gas. (author)

  6. Temperature Dependences of Mechanisms Responsible for the Water-Vapor Continuum Absorption

    Science.gov (United States)

    Ma, Qiancheng

    2014-01-01

    The water-vapor continuum absorption plays an important role in the radiative balance in the Earth's atmosphere. It has been experimentally shown that for ambient atmospheric conditions, the continuum absorption scales quadratically with the H2O number density and has a strong, negative temperature dependence (T dependence). Over the years, there have been three different theoretical mechanisms postulated: far-wings of allowed transition lines, water dimers, and collision-induced absorption. The first mechanism proposed was the accumulation of absorptions from the far-wings of the strong allowed transition lines. Later, absorption by water dimers was proposed, and this mechanism provides a qualitative explanation for the continuum characters mentioned above. Despite the improvements in experimental data, at present there is no consensus on which mechanism is primarily responsible for the continuum absorption.

  7. Surface green function matching for a three-dimensional non-local continuum

    International Nuclear Information System (INIS)

    Idiodi, J.O.A.

    1985-07-01

    With a view toward helping to bridge the gap, from the continuum side, between discrete and continuum models of crystalline, elastic solids, explicit results are presented for non-local stress tensors that describe exactly some lattice dynamical models that have been widely used in the literature for cubic lattices. The Surface Green Function Matching (SGFM) method, which has been used successfully for a variety of surface problems, is then extended, within a continuum approach, to a non-local continuum that models a three-dimensional discrete lattice. The practical use of the method is demonstrated by performing a fairly complete analytical study of the vibrational surface modes of the SCC semi-infinite medium. Some results are presented for the [100] direction of the (001) surface of the SCC lattice. (author)

  8. Pore-scale and Continuum Simulations of Solute Transport Micromodel Benchmark Experiments

    Energy Technology Data Exchange (ETDEWEB)

    Oostrom, Martinus; Mehmani, Yashar; Romero Gomez, Pedro DJ; Tang, Y.; Liu, H.; Yoon, Hongkyu; Kang, Qinjun; Joekar Niasar, Vahid; Balhoff, Matthew; Dewers, T.; Tartakovsky, Guzel D.; Leist, Emily AE; Hess, Nancy J.; Perkins, William A.; Rakowski, Cynthia L.; Richmond, Marshall C.; Serkowski, John A.; Werth, Charles J.; Valocchi, Albert J.; Wietsma, Thomas W.; Zhang, Changyong

    2016-08-01

    Four sets of micromodel nonreactive solute transport experiments were conducted with flow velocity, grain diameter, pore-aspect ratio, and flow focusing heterogeneity as the variables. The data sets were offered to pore-scale modeling groups to test their simulators. Each set consisted of two learning experiments, for which all results was made available, and a challenge experiment, for which only the experimental description and base input parameters were provided. The experimental results showed a nonlinear dependence of the dispersion coefficient on the Peclet number, a negligible effect of the pore-aspect ratio on transverse mixing, and considerably enhanced mixing due to flow focusing. Five pore-scale models and one continuum-scale model were used to simulate the experiments. Of the pore-scale models, two used a pore-network (PN) method, two others are based on a lattice-Boltzmann (LB) approach, and one employed a computational fluid dynamics (CFD) technique. The learning experiments were used by the PN models to modify the standard perfect mixing approach in pore bodies into approaches to simulate the observed incomplete mixing. The LB and CFD models used these experiments to appropriately discretize the grid representations. The continuum model use published non-linear relations between transverse dispersion coefficients and Peclet numbers to compute the required dispersivity input values. Comparisons between experimental and numerical results for the four challenge experiments show that all pore-scale models were all able to satisfactorily simulate the experiments. The continuum model underestimated the required dispersivity values and, resulting in less dispersion. The PN models were able to complete the simulations in a few minutes, whereas the direct models needed up to several days on supercomputers to resolve the more complex problems.

  9. Electrochemical thermodynamic measurement system

    Science.gov (United States)

    Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA

    2009-09-29

    The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

  10. THEREDA. Thermodynamic reference database. Summary of final report

    Energy Technology Data Exchange (ETDEWEB)

    Altmaier, Marcus; Bube, Christiane; Marquardt, Christian [Karlsruher Institut fuer Technologie (KIT), Eggenstein-Leopoldshafen (Germany). Institut fuer Nukleare Entsorgung; Brendler, Vinzenz; Richter, Anke [Helmholtz-Zentrum Dresden-Rossendorf (Germany). Inst. fuer Radiochemie; Moog, Helge C.; Scharge, Tina [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Koeln (Germany); Voigt, Wolfgang [TU Bergakademie Freiburg (Germany). Inst. fuer Anorganische Chemie; Wilhelm, Stefan [AF-Colenco AG, Baden (Switzerland)

    2011-03-15

    A long term safety assessment of a repository for radioactive waste requires evidence, that all relevant processes are known and understood, which might have a significant positive or negative impact on its safety. In 2002, a working group of five institutions was established to create a common thermodynamic database for nuclear waste disposal in deep geological formations. The common database was named THEREDA: Thermodynamic Reference Database. The following institutions are members of the working group: Helmholtz-Zentrum Dresden-Rossendorf, Institute of Radiochemistry - Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal - Technische Universitaet Bergakademie Freiberg, Institute of Inorganic Chemistry - AF-Colenco AG, Baden, Switzerland, Department of Groundwater Protection and Waste Disposal - Gesellschaft fur Anlagen- und Reaktorsicherheit, Braunschweig. For the future it is intended that its usage becomes mandatory for geochemical model calculations for nuclear waste disposal in Germany. Furthermore, it was agreed that the new database should be established in accordance with the following guidelines: Long-term usability: The disposal of radioactive waste is a task encompassing decades. The database is projected to operate on a long-term basis. This has influenced the choice of software (which is open source), the documentation and the data structure. THEREDA is adapted to the present-day necessities and computational codes but also leaves many degrees of freedom for varying demands in the future. Easy access: The database is accessible via the World Wide Web for free. Applicability: To promote the usage of the database in a wide community, THEREDA is providing ready-to-use parameter files for the most common codes. These are at present: PHREEQC, EQ3/6, Geochemist's Workbench, and CHEMAPP. Internal consistency: It is distinguished between dependent and independent data. To ensure the required internal consistency of THEREDA, the

  11. THEREDA. Thermodynamic reference database. Summary of final report

    International Nuclear Information System (INIS)

    Altmaier, Marcus; Bube, Christiane; Marquardt, Christian; Voigt, Wolfgang

    2011-03-01

    A long term safety assessment of a repository for radioactive waste requires evidence, that all relevant processes are known and understood, which might have a significant positive or negative impact on its safety. In 2002, a working group of five institutions was established to create a common thermodynamic database for nuclear waste disposal in deep geological formations. The common database was named THEREDA: Thermodynamic Reference Database. The following institutions are members of the working group: Helmholtz-Zentrum Dresden-Rossendorf, Institute of Radiochemistry - Karlsruhe Institute of Technology, Institute for Nuclear Waste Disposal - Technische Universitaet Bergakademie Freiberg, Institute of Inorganic Chemistry - AF-Colenco AG, Baden, Switzerland, Department of Groundwater Protection and Waste Disposal - Gesellschaft fur Anlagen- und Reaktorsicherheit, Braunschweig. For the future it is intended that its usage becomes mandatory for geochemical model calculations for nuclear waste disposal in Germany. Furthermore, it was agreed that the new database should be established in accordance with the following guidelines: Long-term usability: The disposal of radioactive waste is a task encompassing decades. The database is projected to operate on a long-term basis. This has influenced the choice of software (which is open source), the documentation and the data structure. THEREDA is adapted to the present-day necessities and computational codes but also leaves many degrees of freedom for varying demands in the future. Easy access: The database is accessible via the World Wide Web for free. Applicability: To promote the usage of the database in a wide community, THEREDA is providing ready-to-use parameter files for the most common codes. These are at present: PHREEQC, EQ3/6, Geochemist's Workbench, and CHEMAPP. Internal consistency: It is distinguished between dependent and independent data. To ensure the required internal consistency of THEREDA, the

  12. Choice of the thermodynamic variables

    International Nuclear Information System (INIS)

    Balian, R.

    1985-09-01

    Some basic ideas of thermodynamics and statistical mechanics, both at equilibrium and off equilibrium, are recalled. In particular, the selection of relevant variables which underlies any macroscopic description is discussed, together with the meaning of the various thermodynamic quantities, in order to set the thermodynamic approaches used in nuclear physics in a general prospect [fr

  13. Thermodynamics of Minerals Stable Near the Earth's Surface

    International Nuclear Information System (INIS)

    Navrotsky, Alexandra

    2003-01-01

    OAK B262 Research and Education Activities We are working on developing calorimetric techniques for sulfide minerals. We have completed calorimetric studies of (Na, K, H3O) jarosites, of Na and K jarosite -alunite solid solutions, and of Cr6+ - containing jarosites. We are now working on phases containing As and Pb. These studies are important to issues of heavy metal pollution in the environment. A number of postdocs, graduate students, and undergrads have participated in the research. We have active collaboration with Dirk Baron, faculty at California State University, Bakersfield. In a collaboration with Peter Burns, Notre Dame University, we are working on thermochemistry of U6+ minerals. Navrotsky has participated in a number of national workshops that are helping to define the interfaces between nanotechnology and earth/environmental science. Major Findings Our first finding on uranyl minerals shows that studtite, a phase containing structural peroxide ion, is thermodynamically unstable in the absence of a source of aqueous peroxide ion but is thermodynamically stable in contact with a solution containing peroxide concentrations expected for the radiolysis of water in contact with spent nuclear fuel. This work is in press in Science. We have a consistent thermodynamic data set for the (Na, K, H3O) (Al, Fe) jarosite, alunite minerals and for Cr6+ substituting for S6+ in jarosite. The latter phases represent one of the few solid sinks for trapping toxic Cr6+ in groundwater. Contributions within Discipline Better understanding of thermodynamic driving for and constraints on geochemical and environmental processes

  14. Thermodynamic properties and equilibrium constant of chemical reaction in nanosystem: An theoretical and experimental study

    International Nuclear Information System (INIS)

    Du, Jianping; Zhao, Ruihua; Xue, Yongqiang

    2012-01-01

    Highlights: ► There is an obvious influence of the size on thermodynamic properties for the reaction referring nano-reactants. ► Gibbs function, enthalpy, entropy and equilibrium constant are dependent on the reactant size. ► There is an approximate linear relation between them. - Abstract: The theoretical relations of thermodynamic properties, the equilibrium constant and reactant size in nanosystem are described. The effects of size on thermodynamic properties and the equilibrium constant were studied using nanosize zinc oxide and sodium bisulfate solution as a reaction system. The experimental results indicated that the molar Gibbs free energy, the molar enthalpy and the molar entropy of the reaction decrease, but the equilibrium constant increases with decreasing reactant size. Linear trends were observed between the reciprocal of size for nano-reactant and thermodynamic variable, which are consistent with the theoretical relations.

  15. Treatment of continuum in weakly bound systems in structure and reactions

    Energy Technology Data Exchange (ETDEWEB)

    Vitturi, Andrea [Dipartimento di Fisica and INFN, Padova (Italy); Perez-Bernal, Francisco [Facultad de Ciencias Experimentales, Departamento de Fisica Aplicada, Universidad de Huelva, Huelva (Spain)

    2010-03-01

    We investigate different treatments of continuum states in a simple structure case: two particles moving in a one-dimensional mean field and interacting via a density-dependent short range residual interaction. We find that in procedures that involve continuum discretization a rather large basis has to be used in order to get convergence to the exact results, in particular for the radial dependence of the two-particle wave function. This may lead to unpracticable situations in the case of many interacting particles in the continuum.

  16. Thermodynamics of strange quark matter with the density-dependent bag constant

    Institute of Scientific and Technical Information of China (English)

    ZHU MingFeng; LIU GuangZhou; YU Zi; XU Yan; SONG WenTao

    2009-01-01

    The thermodynamics of strange quark matter with density dependent bag constant are studied selfconsistently in the framework of the general ensemble theory and the MIT bag model.In our treatment,an additional term Is found in the expression of pressure.With the additional term,the zero pressure locates exactly at the lowest energy state,Indicating that our treatment is a self-consistently thermodynamic treatment.The self-consistent equations of state of strange quark matter in both the normal and color-flavor-locked phase are derived.They are both softer than the inconsistent ones.Strange stars in both the normal and color-flavor locked phase have smaller masses and radii in our treatment.It is also interesting to find that the energy density at a star surface in our treatment is much higher than that In the inconsistent treatment for both phases.Consequently,the surface properties and the corresponding observational properties of strange stars in our treatment are different from those in the inconsistent treatment.

  17. Elementary Continuum Mechanics for Everyone

    DEFF Research Database (Denmark)

    Byskov, Esben

    numerical method, the finite element method, including means of mending inherent problems •An informal, yet precise exposition that emphasizes not just how a topic is treated, but discusses why a particular choice is made The book opens with a derivation of kinematically nonlinear 3-D continuum mechanics...

  18. Thermodynamics in Einstein's thought

    International Nuclear Information System (INIS)

    Klein, M.J.

    1983-01-01

    The role of the thermodynamical approach in the Einstein's scientific work is analyzed. The Einstein's development of a notion about statistical fluctuations of thermodynamical systems that leads him to discovery of corpuscular-wave dualism is retraced

  19. The Rate-Controlled Constrained-Equilibrium Approach to Far-From-Local-Equilibrium Thermodynamics

    Directory of Open Access Journals (Sweden)

    Hameed Metghalchi

    2012-01-01

    Full Text Available The Rate-Controlled Constrained-Equilibrium (RCCE method for the description of the time-dependent behavior of dynamical systems in non-equilibrium states is a general, effective, physically based method for model order reduction that was originally developed in the framework of thermodynamics and chemical kinetics. A generalized mathematical formulation is presented here that allows including nonlinear constraints in non-local equilibrium systems characterized by the existence of a non-increasing Lyapunov functional under the system’s internal dynamics. The generalized formulation of RCCE enables to clarify the essentials of the method and the built-in general feature of thermodynamic consistency in the chemical kinetics context. In this paper, we work out the details of the method in a generalized mathematical-physics framework, but for definiteness we detail its well-known implementation in the traditional chemical kinetics framework. We detail proofs and spell out explicit functional dependences so as to bring out and clarify each underlying assumption of the method. In the standard context of chemical kinetics of ideal gas mixtures, we discuss the relations between the validity of the detailed balance condition off-equilibrium and the thermodynamic consistency of the method. We also discuss two examples of RCCE gas-phase combustion calculations to emphasize the constraint-dependent performance of the RCCE method.

  20. On relativistic generalization of Perelman's W-entropy and thermodynamic description of gravitational fields and cosmology

    Energy Technology Data Exchange (ETDEWEB)

    Vacaru, Olivia [National College of Iasi (Romania); Vacaru, Sergiu I. [Quantum Gravity Research, Topanga, CA (United States); University ' ' Al.I. Cuza' ' Iasi, Project IDEI, Iasi (Romania); Werner-Heisenberg-Institute, Max-Planck-Institute for Physics, Munich (Germany); Leibniz University of Hannover, Institute for Theoretical Physics (Germany); Ruchin, Vyacheslav

    2017-03-15

    Using double 2 + 2 and 3 + 1 nonholonomic fibrations on Lorentz manifolds, we extend the concept of W-entropy for gravitational fields in general relativity (GR). Such F- and W-functionals were introduced in the Ricci flow theory of three dimensional (3-d) Riemannian metrics by Perelman (the entropy formula for the Ricci flow and its geometric applications. arXiv:math.DG/0211159). Non-relativistic 3-d Ricci flows are characterized by associated statistical thermodynamical values determined by W-entropy. Generalizations for geometric flows of 4-d pseudo-Riemannian metrics are considered for models with local thermodynamical equilibrium and separation of dissipative and non-dissipative processes in relativistic hydrodynamics. The approach is elaborated in the framework of classical field theories (relativistic continuum and hydrodynamic models) without an underlying kinetic description, which will be elaborated in other work. The 3 + 1 splitting allows us to provide a general relativistic definition of gravitational entropy in the Lyapunov-Perelman sense. It increases monotonically as structure forms in the Universe. We can formulate a thermodynamic description of exact solutions in GR depending, in general, on all spacetime coordinates. A corresponding 2 + 2 splitting with nonholonomic deformation of linear connection and frame structures is necessary for generating in very general form various classes of exact solutions of the Einstein and general relativistic geometric flow equations. Finally, we speculate on physical macrostates and microstate interpretations of the W-entropy in GR, geometric flow theories and possible connections to string theory (a second unsolved problem also contained in Perelman's work) in Polyakov's approach. (orig.)

  1. Continuum analogues of contragredient Lie algebras

    International Nuclear Information System (INIS)

    Saveliev, M.V.; Vershik, A.M.

    1989-03-01

    We present an axiomatic formulation of a new class of infinite-dimensional Lie algebras - the generalizations of Z-graded Lie algebras with, generally speaking, an infinite-dimensional Cartan subalgebra and a contiguous set of roots. We call such algebras ''continuum Lie algebras''. The simple Lie algebras of constant growth are encapsulated in our formulation. We pay particular attention to the case when the local algebra is parametrized by a commutative algebra while the Cartan operator (the generalization of the Cartan matrix) is a linear operator. Special examples of these algebras are the Kac-Moody algebras, algebras of Poisson brackets, algebras of vector fields on a manifold, current algebras, and algebras with differential or integro-differential Cartan operator. The nonlinear dynamical systems associated with the continuum contragredient Lie algebras are also considered. (author). 9 refs

  2. Black hole chemistry: thermodynamics with Lambda

    International Nuclear Information System (INIS)

    Kubizňák, David; Mann, Robert B; Teo, Mae

    2017-01-01

    We review recent developments on the thermodynamics of black holes in extended phase space, where the cosmological constant is interpreted as thermodynamic pressure and treated as a thermodynamic variable in its own right. In this approach, the mass of the black hole is no longer regarded as internal energy, rather it is identified with the chemical enthalpy. This leads to an extended dictionary for black hole thermodynamic quantities; in particular a notion of thermodynamic volume emerges for a given black hole spacetime. This volume is conjectured to satisfy the reverse isoperimetric inequality—an inequality imposing a bound on the amount of entropy black hole can carry for a fixed thermodynamic volume. New thermodynamic phase transitions naturally emerge from these identifications. Namely, we show that black holes can be understood from the viewpoint of chemistry, in terms of concepts such as Van der Waals fluids, reentrant phase transitions, and triple points. We also review the recent attempts at extending the AdS/CFT dictionary in this setting, discuss the connections with horizon thermodynamics, applications to Lifshitz spacetimes, and outline possible future directions in this field. (topical review)

  3. Neoclassical simulation of tokamak plasmas using the continuum gyrokinetic code TEMPEST.

    Science.gov (United States)

    Xu, X Q

    2008-07-01

    We present gyrokinetic neoclassical simulations of tokamak plasmas with a self-consistent electric field using a fully nonlinear (full- f ) continuum code TEMPEST in a circular geometry. A set of gyrokinetic equations are discretized on a five-dimensional computational grid in phase space. The present implementation is a method of lines approach where the phase-space derivatives are discretized with finite differences, and implicit backward differencing formulas are used to advance the system in time. The fully nonlinear Boltzmann model is used for electrons. The neoclassical electric field is obtained by solving the gyrokinetic Poisson equation with self-consistent poloidal variation. With a four-dimensional (psi,theta,micro) version of the TEMPEST code, we compute the radial particle and heat fluxes, the geodesic-acoustic mode, and the development of the neoclassical electric field, which we compare with neoclassical theory using a Lorentz collision model. The present work provides a numerical scheme for self-consistently studying important dynamical aspects of neoclassical transport and electric field in toroidal magnetic fusion devices.

  4. On the interfacial thermodynamics of nanoscale droplets and bubbles

    Science.gov (United States)

    Corti, David S.; Kerr, Karl J.; Torabi, Korosh

    2011-07-01

    We present a new self-consistent thermodynamic formalism for the interfacial properties of nanoscale embryos whose interiors do not exhibit bulklike behavior and are in complete equilibrium with the surrounding mother phase. In contrast to the standard Gibbsian analysis, whereby a bulk reference pressure based on the same temperature and chemical potentials of the mother phase is introduced, our approach naturally incorporates the normal pressure at the center of the embryo as an appropriate reference pressure. While the interfacial properties of small embryos that follow from the use of these two reference pressures are different, both methods yield by construction the same reversible work of embryo formation as well as consistency between their respective thermodynamic and mechanical routes to the surface tension. Hence, there is no a priori reason to select one method over another. Nevertheless, we argue, and demonstrate via a density-functional theory (with the local density approximation) analysis of embryo formation in the pure component Lennard-Jones fluid, that our new method generates more physically appealing trends. For example, within the new approach the surface tension at all locations of the dividing surface vanishes at the spinodal where the density profile spanning the embryo and mother phase becomes completely uniform (only the surface tension at the Gibbs surface of tension vanishes in the Gibbsian method at this same limit). Also, for bubbles, the location of the surface of tension now diverges at the spinodal, similar to the divergent behavior exhibited by the equimolar dividing surface (in the Gibbsian method, the location of the surface of tension vanishes instead). For droplets, the new method allows for the appearance of negative surface tensions (the Gibbsian method always yields positive tensions) when the normal pressures within the interior of the embryo become less than the bulk pressure of the surrounding vapor phase. Such a

  5. Solar radio continuum storms and a breathing magnetic field model. Final report

    International Nuclear Information System (INIS)

    1975-01-01

    Radio noise continuum emissions observed in metric and decametric wave frequencies are, in general, associated with actively varying sunspot groups accompanied by the S-component of microwave radio emissions. These continuum emission sources, often called type I storm sources, are often associated with type III burst storm activity from metric to hectometric wave frequencies. This storm activity is, therefore, closely connected with the development of these continuum emission sources. It is shown that the S-component emission in microwave frequencies generally precedes, by several days, the emission of these noise continuum storms of lower frequencies. In order for these storms to develop, the growth of sunspot groups into complex types is very important in addition to the increase of the average magnetic field intensity and area of these groups. After giving a review on the theory of these noise continuum storm emissions, a model is briefly considered to explain the relation of the emissions to the storms

  6. Thermodynamics of Accelerating Black Holes.

    Science.gov (United States)

    Appels, Michael; Gregory, Ruth; Kubizňák, David

    2016-09-23

    We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon-even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

  7. Thermodynamics of complexity

    DEFF Research Database (Denmark)

    Westerhoff, Hans V.; Jensen, Peter Ruhdal; Snoep, Jacky L.

    1998-01-01

    -called emergent properties. Tendency towards increased entropy is an essential determinant for the behaviour of ideal gas mixtures, showing that even in the simplest physical/chemical systems, (dys)organisation of components is crucial for the behaviour of systems. This presentation aims at illustrating...... that the behaviour of two functionally interacting biological components (molecules, protein domains, pathways, organelles) differs from the behaviour these components would exhibit in isolation from one another, where the difference should be essential for the maintenance and growth of the living state, For a true...... understanding of this BioComplexity, modem thermodynamic concepts and methods (nonequilibrium thermodynamics, metabolic and hierarchical control analysis) will be needed. We shall propose to redefine nonequilibrium thermodynamics as: The science that aims at understanding the behaviour of nonequilibrium systems...

  8. Optimal kernel shape and bandwidth for atomistic support of continuum stress

    International Nuclear Information System (INIS)

    Ulz, Manfred H; Moran, Sean J

    2013-01-01

    The treatment of atomistic scale interactions via molecular dynamics simulations has recently found favour for multiscale modelling within engineering. The estimation of stress at a continuum point on the atomistic scale requires a pre-defined kernel function. This kernel function derives the stress at a continuum point by averaging the contribution from atoms within a region surrounding the continuum point. This averaging volume, and therefore the associated stress at a continuum point, is highly dependent on the bandwidth and shape of the kernel. In this paper we propose an effective and entirely data-driven strategy for simultaneously computing the optimal shape and bandwidth for the kernel. We thoroughly evaluate our proposed approach on copper using three classical elasticity problems. Our evaluation yields three key findings: firstly, our technique can provide a physically meaningful estimation of kernel bandwidth; secondly, we show that a uniform kernel is preferred, thereby justifying the default selection of this kernel shape in future work; and thirdly, we can reliably estimate both of these attributes in a data-driven manner, obtaining values that lead to an accurate estimation of the stress at a continuum point. (paper)

  9. Singularity-free interpretation of the thermodynamics of supercooled water

    International Nuclear Information System (INIS)

    Sastry, S.; Debenedetti, P.G.; Sciortino, F.; Stanley, H.E.

    1996-01-01

    The pronounced increases in isothermal compressibility, isobaric heat capacity, and in the magnitude of the thermal expansion coefficient of liquid water upon supercooling have been interpreted either in terms of a continuous, retracing spinodal curve bounding the superheated, stretched, and supercooled states of liquid water, or in terms of a metastable, low-temperature critical point. Common to these two scenarios is the existence of singularities associated with diverging density fluctuations at low temperature. We show that the increase in compressibility upon lowering the temperature of a liquid that expands on cooling, like water, is not contingent on any singular behavior, but rather is a thermodynamic necessity. We perform a thermodynamic analysis for an anomalous liquid (i.e., one that expands when cooled) in the absence of a retracing spinodal and show that one may in general expect a locus of compressibility extrema in the anomalous regime. Our analysis suggests that the simplest interpretation of the behavior of supercooled water consistent with experimental observations is free of singularities. We then develop a waterlike lattice model that exhibits no singular behavior, while capturing qualitative aspects of the thermodynamics of water. copyright 1996 The American Physical Society

  10. Modeling of Continuum Manipulators Using Pythagorean Hodograph Curves.

    Science.gov (United States)

    Singh, Inderjeet; Amara, Yacine; Melingui, Achille; Mani Pathak, Pushparaj; Merzouki, Rochdi

    2018-05-10

    Research on continuum manipulators is increasingly developing in the context of bionic robotics because of their many advantages over conventional rigid manipulators. Due to their soft structure, they have inherent flexibility, which makes it a huge challenge to control them with high performances. Before elaborating a control strategy of such robots, it is essential to reconstruct first the behavior of the robot through development of an approximate behavioral model. This can be kinematic or dynamic depending on the conditions of operation of the robot itself. Kinematically, two types of modeling methods exist to describe the robot behavior; quantitative methods describe a model-based method, and qualitative methods describe a learning-based method. In kinematic modeling of continuum manipulator, the assumption of constant curvature is often considered to simplify the model formulation. In this work, a quantitative modeling method is proposed, based on the Pythagorean hodograph (PH) curves. The aim is to obtain a three-dimensional reconstruction of the shape of the continuum manipulator with variable curvature, allowing the calculation of its inverse kinematic model (IKM). It is noticed that the performances of the PH-based kinematic modeling of continuum manipulators are considerable regarding position accuracy, shape reconstruction, and time/cost of the model calculation, than other kinematic modeling methods, for two cases: free load manipulation and variable load manipulation. This modeling method is applied to the compact bionic handling assistant (CBHA) manipulator for validation. The results are compared with other IKMs developed in case of CBHA manipulator.

  11. Evidence against the continuum structure underlying motivation measures derived from self-determination theory.

    Science.gov (United States)

    Chemolli, Emanuela; Gagné, Marylène

    2014-06-01

    Self-determination theory (SDT) proposes a multidimensional conceptualization of motivation in which the different regulations are said to fall along a continuum of self-determination. The continuum has been used as a basis for using a relative autonomy index as a means to create motivational scores. Rasch analysis was used to verify the continuum structure of the Multidimensional Work Motivation Scale and of the Academic Motivation Scale. We discuss the concept of continuum against SDT's conceptualization of motivation and argue against the use of the relative autonomy index on the grounds that evidence for a continuum structure underlying the regulations is weak and because the index is statistically problematic. We suggest exploiting the full richness of SDT's multidimensional conceptualization of motivation through the use of alternative scoring methods when investigating motivational dynamics across life domains.

  12. Thermodynamic framework for compact q-Gaussian distributions

    Science.gov (United States)

    Souza, Andre M. C.; Andrade, Roberto F. S.; Nobre, Fernando D.; Curado, Evaldo M. F.

    2018-02-01

    Recent works have associated systems of particles, characterized by short-range repulsive interactions and evolving under overdamped motion, to a nonlinear Fokker-Planck equation within the class of nonextensive statistical mechanics, with a nonlinear diffusion contribution whose exponent is given by ν = 2 - q. The particular case ν = 2 applies to interacting vortices in type-II superconductors, whereas ν > 2 covers systems of particles characterized by short-range power-law interactions, where correlations among particles are taken into account. In the former case, several studies presented a consistent thermodynamic framework based on the definition of an effective temperature θ (presenting experimental values much higher than typical room temperatures T, so that thermal noise could be neglected), conjugated to a generalized entropy sν (with ν = 2). Herein, the whole thermodynamic scheme is revisited and extended to systems of particles interacting repulsively, through short-ranged potentials, described by an entropy sν, with ν > 1, covering the ν = 2 (vortices in type-II superconductors) and ν > 2 (short-range power-law interactions) physical examples. One basic requirement concerns a cutoff in the equilibrium distribution Peq(x) , approached due to a confining external harmonic potential, ϕ(x) = αx2 / 2 (α > 0). The main results achieved are: (a) The definition of an effective temperature θ conjugated to the entropy sν; (b) The construction of a Carnot cycle, whose efficiency is shown to be η = 1 -(θ2 /θ1) , where θ1 and θ2 are the effective temperatures associated with two isothermal transformations, with θ1 >θ2; (c) Thermodynamic potentials, Maxwell relations, and response functions. The present thermodynamic framework, for a system of interacting particles under the above-mentioned conditions, and associated to an entropy sν, with ν > 1, certainly enlarges the possibility of experimental verifications.

  13. Thermodynamics of a model solid with magnetoelastic coupling

    Science.gov (United States)

    Szałowski, K.; Balcerzak, T.; Jaščur, M.

    2018-01-01

    In the paper a study of a model magnetoelastic solid system is presented. The system of interest is a mean-field magnet with nearest-neighbour ferromagnetic interactions and the underlying s.c. crystalline lattice with the long-range Morse interatomic potential and the anharmonic Debye model for the lattice vibrations. The influence of the external magnetic field on the thermodynamics is investigated, with special emphasis put on the consequences of the magnetoelastic coupling, introduced by the power-law distance dependence of the magnetic exchange integral. Within the fully self-consistent, Gibbs energy-based formalism such thermodynamic quantities as the entropy, the specific heat as well as the lattice and magnetic response functions are calculated and discussed. To complete the picture, the magnetocaloric effect is characterized by analysis of the isothermal entropy change and the adiabatic temperature change in the presence of the external pressure.

  14. Generalization of Gibbs Entropy and Thermodynamic Relation

    OpenAIRE

    Park, Jun Chul

    2010-01-01

    In this paper, we extend Gibbs's approach of quasi-equilibrium thermodynamic processes, and calculate the microscopic expression of entropy for general non-equilibrium thermodynamic processes. Also, we analyze the formal structure of thermodynamic relation in non-equilibrium thermodynamic processes.

  15. A thermodynamically consistent model of magneto-elastic materials under diffusion at large strains and its analysis

    Science.gov (United States)

    Roubíček, Tomáš; Tomassetti, Giuseppe

    2018-06-01

    A theory of elastic magnets is formulated under possible diffusion and heat flow governed by Fick's and Fourier's laws in the deformed (Eulerian) configuration, respectively. The concepts of nonlocal nonsimple materials and viscous Cahn-Hilliard equations are used. The formulation of the problem uses Lagrangian (reference) configuration while the transport processes are pulled back. Except the static problem, the demagnetizing energy is ignored and only local non-self-penetration is considered. The analysis as far as existence of weak solutions of the (thermo) dynamical problem is performed by a careful regularization and approximation by a Galerkin method, suggesting also a numerical strategy. Either ignoring or combining particular aspects, the model has numerous applications as ferro-to-paramagnetic transformation in elastic ferromagnets, diffusion of solvents in polymers possibly accompanied by magnetic effects (magnetic gels), or metal-hydride phase transformation in some intermetallics under diffusion of hydrogen accompanied possibly by magnetic effects (and in particular ferro-to-antiferromagnetic phase transformation), all in the full thermodynamical context under large strains.

  16. A thermodynamic definition of protein domains.

    Science.gov (United States)

    Porter, Lauren L; Rose, George D

    2012-06-12

    Protein domains are conspicuous structural units in globular proteins, and their identification has been a topic of intense biochemical interest dating back to the earliest crystal structures. Numerous disparate domain identification algorithms have been proposed, all involving some combination of visual intuition and/or structure-based decomposition. Instead, we present a rigorous, thermodynamically-based approach that redefines domains as cooperative chain segments. In greater detail, most small proteins fold with high cooperativity, meaning that the equilibrium population is dominated by completely folded and completely unfolded molecules, with a negligible subpopulation of partially folded intermediates. Here, we redefine structural domains in thermodynamic terms as cooperative folding units, based on m-values, which measure the cooperativity of a protein or its substructures. In our analysis, a domain is equated to a contiguous segment of the folded protein whose m-value is largely unaffected when that segment is excised from its parent structure. Defined in this way, a domain is a self-contained cooperative unit; i.e., its cooperativity depends primarily upon intrasegment interactions, not intersegment interactions. Implementing this concept computationally, the domains in a large representative set of proteins were identified; all exhibit consistency with experimental findings. Specifically, our domain divisions correspond to the experimentally determined equilibrium folding intermediates in a set of nine proteins. The approach was also proofed against a representative set of 71 additional proteins, again with confirmatory results. Our reframed interpretation of a protein domain transforms an indeterminate structural phenomenon into a quantifiable molecular property grounded in solution thermodynamics.

  17. Thermodynamic properties of indan: Experimental and computational results

    International Nuclear Information System (INIS)

    Chirico, Robert D.; Steele, William V.; Kazakov, Andrei F.

    2016-01-01

    Highlights: • Heat capacities were measured for the temperature range (5 to 445) K. • Vapor pressures were measured for the temperature range (338 to 495) K. • Densities at saturation pressure were measured from T = (323 to 523) K. • Computed and experimentally derived properties for ideal gas entropies are in excellent accord. • Thermodynamic consistency analysis revealed anomalous literature data. - Abstract: Measurements leading to the calculation of thermodynamic properties in the ideal-gas state for indan (Chemical Abstracts registry number [496-11-7], 2,3-dihydro-1H-indene) are reported. Experimental methods were adiabatic heat-capacity calorimetry, differential scanning calorimetry, comparative ebulliometry, and vibrating-tube densitometry. Molar thermodynamic functions (enthalpies, entropies, and Gibbs energies) for the condensed and ideal-gas states were derived from the experimental studies at selected temperatures. Statistical calculations were performed based on molecular geometry optimization and vibrational frequencies calculated at the B3LYP/6-31+G(d, p) level of theory. Computed ideal-gas properties derived with the rigid-rotor harmonic-oscillator approximation are shown to be in excellent accord with ideal-gas entropies derived from thermophysical property measurements of this research, as well as with experimental heat capacities for the ideal-gas state reported in the literature. Literature spectroscopic studies and ab initio calculations report a range of values for the barrier to ring puckering. Results of the present work are consistent with a large barrier that allows use of the rigid-rotor harmonic-oscillator approximation for ideal-gas entropy and heat-capacity calculations, even with the stringent uncertainty requirements imposed by the calorimetric and physical property measurements reported here. All experimental results are compared with property values reported in the literature.

  18. Constructal theory through thermodynamics of irreversible processes framework

    International Nuclear Information System (INIS)

    Tescari, S.; Mazet, N.; Neveu, P.

    2011-01-01

    Highlights: → Point to area flow problem is solved through Thermodynamics of irreversible processes. → A new optimisation criterion is defined: the exergy or entropy impedance. → Optimisation is performed following two different routes, constructal or global. → Global optimisation is more efficient than constructal optimisation. → Global optimisation enhances the domain of construct benefits. - Abstract: Point to volume flow problem is revisited on a thermodynamics of irreversible processes (TIP) basis. The first step consists in evaluating the local entropy production of the system, and deducing from this expression the phenomenological laws. Then, the total entropy production can be simply evaluated. It is demonstrated that total entropy production can be written in a remarkable form: the product of the so-called entropy impedance with the square of the heat flux. As the heat flux is given, optimisation consists in minimising the entropy impedance. It is also shown that minimising entropy impedance minimises the maximum temperature difference. Applied to the elemental volume, this optimisation process leads to a shape factor close to the one already published. For the first construction, the equivalent system is defined as stated by Prigogine: when subjected to the same constraints, two systems are thermodynamically equivalent if their entropy production is equal. Two optimisation routes are then investigated: a global optimisation where all scales are taken into account and the constructal optimisation where the system is optimised scale by scale. In this second case, results are close to Ghodossi's work. When global optimisation is performed, it is demonstrated that conductive paths have to be spread uniformly in the active material (i.e. the number of elemental volumes must go to infinite). Comparing the two routes, global optimisation leads to better performance than constructal optimisation. Moreover, global optimisation enlarges the domain of

  19. Work and personal life boundary management: boundary strength, work/personal life balance, and the segmentation-integration continuum.

    Science.gov (United States)

    Bulger, Carrie A; Matthews, Russell A; Hoffman, Mark E

    2007-10-01

    While researchers are increasingly interested in understanding the boundaries surrounding the work and personal life domains, few have tested the propositions set forth by theory. Boundary theory proposes that individuals manage the boundaries between work and personal life through processes of segmenting and/or integrating the domains. The authors investigated boundary management profiles of 332 workers in an investigation of the segmentation-integration continuum. Cluster analysis indicated consistent clusters of boundary management practices related to varying segmentation and integration of the work and personal life domains. But, the authors suggest that the segmentation-integration continuum may be more complicated. Results also indicated relationships between boundary management practices and work-personal life interference and work-personal life enhancement. Less flexible and more permeable boundaries were related to more interference, while more flexible and more permeable boundaries were related to more enhancement.

  20. Coarse-to-Fine Segmentation with Shape-Tailored Continuum Scale Spaces

    KAUST Repository

    Khan, Naeemullah

    2017-11-09

    We formulate an energy for segmentation that is designed to have preference for segmenting the coarse over fine structure of the image, without smoothing across boundaries of regions. The energy is formulated by integrating a continuum of scales from a scale space computed from the heat equation within regions. We show that the energy can be optimized without computing a continuum of scales, but instead from a single scale. This makes the method computationally efficient in comparison to energies using a discrete set of scales. We apply our method to texture and motion segmentation. Experiments on benchmark datasets show that a continuum of scales leads to better segmentation accuracy over discrete scales and other competing methods.