WorldWideScience

Sample records for thermodynamic forces acting

  1. Friction Force: From Mechanics to Thermodynamics

    Science.gov (United States)

    Ferrari, Christian; Gruber, Christian

    2010-01-01

    We study some mechanical problems in which a friction force is acting on a system. Using the fundamental concepts of state, time evolution and energy conservation, we explain how to extend Newtonian mechanics to thermodynamics. We arrive at the two laws of thermodynamics and then apply them to investigate the time evolution and heat transfer of…

  2. Chemical Equilibrium as Balance of the Thermodynamic Forces

    OpenAIRE

    Zilbergleyt, B.

    2004-01-01

    The article sets forth comprehensive basics of thermodynamics of chemical equilibrium as balance of the thermodynamic forces. Based on the linear equations of irreversible thermodynamics, De Donder definition of the thermodynamic force, and Le Chatelier's principle, new thermodynamics of chemical equilibrium offers an explicit account for multiple chemical interactions within the system. Basic relations between energetic characteristics of chemical transformations and reaction extents are bas...

  3. 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

  4. Thermodynamic forces in coarse-grained simulations

    Science.gov (United States)

    Noid, William

    Atomically detailed molecular dynamics simulations have profoundly advanced our understanding of the structure and interactions in soft condensed phases. Nevertheless, despite dramatic advances in the methodology and resources for simulating atomically detailed models, low-resolution coarse-grained (CG) models play a central and rapidly growing role in science. CG models not only empower researchers to investigate phenomena beyond the scope of atomically detailed simulations, but also to precisely tailor models for specific phenomena. However, in contrast to atomically detailed simulations, which evolve on a potential energy surface, CG simulations should evolve on a free energy surface. Therefore, the forces in CG models should reflect the thermodynamic information that has been eliminated from the CG configuration space. As a consequence of these thermodynamic forces, CG models often demonstrate limited transferability and, moreover, rarely provide an accurate description of both structural and thermodynamic properties. In this talk, I will present a framework that clarifies the origin and impact of these thermodynamic forces. Additionally, I will present computational methods for quantifying these forces and incorporating their effects into CG MD simulations. As time allows, I will demonstrate applications of this framework for liquids, polymers, and interfaces. We gratefully acknowledge the support of the National Science Foundation via CHE 1565631.

  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. 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. Exact results for the behavior of the thermodynamic Casimir force in a model with a strong adsorption

    Science.gov (United States)

    Dantchev, Daniel M.; Vassilev, Vassil M.; Djondjorov, Peter A.

    2016-09-01

    When massless excitations are limited or modified by the presence of material bodies one observes a force acting between them generally called Casimir force. Such excitations are present in any fluid system close to its true bulk critical point. We derive exact analytical results for both the temperature and external ordering field behavior of the thermodynamic Casimir force within the mean-field Ginzburg-Landau Ising type model of a simple fluid or binary liquid mixture. We investigate the case when under a film geometry the boundaries of the system exhibit strong adsorption onto one of the phases (components) of the system. We present analytical and numerical results for the (temperature-field) relief map of the force in both the critical region of the film close to its finite-size or bulk critical points as well as in the capillary condensation regime below but close to the finite-size critical point.

  8. Hard sphere colloidal dispersions: Mechanical relaxation pertaining to thermodynamic forces

    NARCIS (Netherlands)

    Mellema, J.; de Kruif, C.G.; Blom, C.; Vrij, A.

    1987-01-01

    The complex viscosity of sterically stabilized (hard) silica spheres in cyclohexane has been measured between 80 Hz and 170 kHz with torsion pendulums and a nickel tube resonator. The observed relaxation behaviour can be attributed to the interplay of hydrodynamic and thermodynamic forces. The

  9. Thermodynamic properties for applications in chemical industry via classical force fields.

    Science.gov (United States)

    Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

    2012-01-01

    Thermodynamic properties of fluids are of key importance for the chemical industry. Presently, the fluid property models used in process design and optimization are mostly equations of state or G (E) models, which are parameterized using experimental data. Molecular modeling and simulation based on classical force fields is a promising alternative route, which in many cases reasonably complements the well established methods. This chapter gives an introduction to the state-of-the-art in this field regarding molecular models, simulation methods, and tools. Attention is given to the way modeling and simulation on the scale of molecular force fields interact with other scales, which is mainly by parameter inheritance. Parameters for molecular force fields are determined both bottom-up from quantum chemistry and top-down from experimental data. Commonly used functional forms for describing the intra- and intermolecular interactions are presented. Several approaches for ab initio to empirical force field parameterization are discussed. Some transferable force field families, which are frequently used in chemical engineering applications, are described. Furthermore, some examples of force fields that were parameterized for specific molecules are given. Molecular dynamics and Monte Carlo methods for the calculation of transport properties and vapor-liquid equilibria are introduced. Two case studies are presented. First, using liquid ammonia as an example, the capabilities of semi-empirical force fields, parameterized on the basis of quantum chemical information and experimental data, are discussed with respect to thermodynamic properties that are relevant for the chemical industry. Second, the ability of molecular simulation methods to describe accurately vapor-liquid equilibrium properties of binary mixtures containing CO(2) is shown.

  10. Theory of nonlinear acoustic forces acting on fluids and particles in microsystems

    DEFF Research Database (Denmark)

    Karlsen, Jonas Tobias

    fundamentally new capabilities in chemical, biomedical, or clinical studies of single cells and bioparticles. This thesis, entitled Theory of nonlinear acoustic forces acting on fluids and particles in microsystems, advances the fundamental understanding of acoustofluidics by addressing the origin...... of the nonlinear acoustic forces acting on fluids and particles. Classical results in nonlinear acoustics for the non-dissipative acoustic radiation force acting on a particle or an interface, as well as the dissipative acoustic force densities driving acoustic streaming, are derived and discussed in terms...... in the continuous fluid parameters of density and compressibility, e.g., due to a solute concentration field, the thesis presents novel analytical results on the acoustic force density acting on inhomogeneous fluids in acoustic fields. This inhomogeneity-induced acoustic force density is non-dissipative in origin...

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

    International Nuclear Information System (INIS)

    Hyldgaard, P

    2012-01-01

    difference between the here-presented exact thermodynamic forces and the often-used electrostatic forces. Finally the paper documents an inherent adiabatic nature of the thermodynamic forces and observes that these are suited for a nonequilibrium implementation of the Born-Oppenheimer approximation.

  12. Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics

    Science.gov (United States)

    Yin, Jian; Fenley, Andrew T.; Henriksen, Niel M.; Gilson, Michael K.

    2015-01-01

    Improving the capability of atomistic computer models to predict the thermodynamics of noncovalent binding is critical for successful structure-based drug design, and the accuracy of such calculations remains limited by non-optimal force field parameters. Ideally, one would incorporate protein-ligand affinity data into force field parametrization, but this would be inefficient and costly. We now demonstrate that sensitivity analysis can be used to efficiently tune Lennard-Jones parameters of aqueous host-guest systems for increasingly accurate calculations of binding enthalpy. These results highlight the promise of a comprehensive use of calorimetric host-guest binding data, along with existing validation data sets, to improve force field parameters for the simulation of noncovalent binding, with the ultimate goal of making protein-ligand modeling more accurate and hence speeding drug discovery. PMID:26181208

  13. Forces on wheels and fuel consumption in cars

    Science.gov (United States)

    Güémez, J.; Fiolhais, M.

    2013-07-01

    Motivated by real classroom discussions, we analyze the forces acting on moving vehicles, specifically friction on their wheels. In typical front-wheel-drive cars when the car accelerates these forces are in the forward direction in the front wheels, but they are in the opposite direction in the rear wheels. The situation may be intriguing for students, but it may also be helpful and stimulating to clarify the role of friction forces on rolling objects. In this paper we also study the thermodynamical aspects of an accelerating car, relating the distance traveled to the amount of fuel consumed. The fuel consumption is explicitly shown to be Galilean invariant and we identify the Gibbs free energy as the relevant quantity that enters into the thermodynamical description of the accelerating car. The more realistic case of the car's motion with the dragging forces taken into account is also discussed.

  14. Forces on wheels and fuel consumption in cars

    International Nuclear Information System (INIS)

    Güémez, J; Fiolhais, M

    2013-01-01

    Motivated by real classroom discussions, we analyze the forces acting on moving vehicles, specifically friction on their wheels. In typical front-wheel-drive cars when the car accelerates these forces are in the forward direction in the front wheels, but they are in the opposite direction in the rear wheels. The situation may be intriguing for students, but it may also be helpful and stimulating to clarify the role of friction forces on rolling objects. In this paper we also study the thermodynamical aspects of an accelerating car, relating the distance traveled to the amount of fuel consumed. The fuel consumption is explicitly shown to be Galilean invariant and we identify the Gibbs free energy as the relevant quantity that enters into the thermodynamical description of the accelerating car. The more realistic case of the car's motion with the dragging forces taken into account is also discussed. (paper)

  15. On the forces acting on radiating charge

    International Nuclear Information System (INIS)

    Khachatrian, B.V.

    2001-01-01

    It is shown that the force acting on a radiating charge is stipulated by two reasons- owing to exchange of a momentum between the radiating charge and electromagnetic field of radiation, and also between the charge and field accompanying the charge. 7 refs

  16. 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

  17. Unsteady hydrodynamic forces acting on a robotic hand and its flow field.

    Science.gov (United States)

    Takagi, Hideki; Nakashima, Motomu; Ozaki, Takashi; Matsuuchi, Kazuo

    2013-07-26

    This study aims to clarify the mechanism of generating unsteady hydrodynamic forces acting on a hand during swimming in order to directly measure the forces, pressure distribution, and flow field around the hand by using a robotic arm and particle image velocimetry (PIV). The robotic arm consisted of the trunk, shoulder, upper arm, forearm, and hand, and it was independently computer controllable in five degrees of freedom. The elbow-joint angle of the robotic arm was fixed at 90°, and the arm was moved in semicircles around the shoulder joint in a plane perpendicular to the water surface. Two-component PIV was used for flow visualization around the hand. The data of the forces and pressure acting on the hand were sampled at 200Hz and stored on a PC. When the maximum resultant force acting on the hand was observed, a pair of counter-rotating vortices appeared on the dorsal surface of the hand. A vortex attached to the hand increased the flow velocity, which led to decreased surface pressure, increasing the hydrodynamic forces. This phenomenon is known as the unsteady mechanism of force generation. We found that the drag force was 72% greater and the lift force was 4.8 times greater than the values estimated under steady flow conditions. Therefore, it is presumable that swimmers receive the benefits of this unsteady hydrodynamic force. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. Relationship of forces acting on implant rods and degree of scoliosis correction.

    Science.gov (United States)

    Salmingo, Remel Alingalan; Tadano, Shigeru; Fujisaki, Kazuhiro; Abe, Yuichiro; Ito, Manabu

    2013-02-01

    Adolescent idiopathic scoliosis is a complex spinal pathology characterized as a three-dimensional spine deformity combined with vertebral rotation. Various surgical techniques for correction of severe scoliotic deformity have evolved and became more advanced in applying the corrective forces. The objective of this study was to investigate the relationship between corrective forces acting on deformed rods and degree of scoliosis correction. Implant rod geometries of six adolescent idiopathic scoliosis patients were measured before and after surgery. An elasto-plastic finite element model of the implant rod before surgery was reconstructed for each patient. An inverse method based on Finite Element Analysis was used to apply forces to the implant rod model such that it was deformed the same after surgery. Relationship between the magnitude of corrective forces and degree of correction expressed as change of Cobb angle was evaluated. The effects of screw configuration on the corrective forces were also investigated. Corrective forces acting on rods and degree of correction were not correlated. Increase in number of implant screws tended to decrease the magnitude of corrective forces but did not provide higher degree of correction. Although greater correction was achieved with higher screw density, the forces increased at some level. The biomechanics of scoliosis correction is not only dependent to the corrective forces acting on implant rods but also associated with various parameters such as screw placement configuration and spine stiffness. Considering the magnitude of forces, increasing screw density is not guaranteed as the safest surgical strategy. Copyright © 2012 Elsevier Ltd. All rights reserved.

  19. 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...

  20. On radiation forces acting on a transparent nanoparticle in the field of a focused laser beam

    Energy Technology Data Exchange (ETDEWEB)

    Afanas' ev, A A; Rubinov, A N [B.I. Stepanov Institute of Physics, National Academy of Sciences of Belarus, Minsk (Belarus); Gaida, L S; Guzatov, D V; Svistun, A Ch [Yanka Kupala State University of Grodno, Grodno (Belarus)

    2015-10-31

    Radiation forces acting on a transparent spherical nanoparticle in the field of a focused Gaussian laser beam are studied theoretically in the Rayleigh scattering regime. Expressions are derived for the scattering force and Cartesian components of the gradient force. The resultant force acting on a nanoparticle located in the centre of a laser beam is found. The parameters of the focused beam and optical properties of the nanoparticle for which the longitudinal component of the gradient force exceeds the scattering force are determined. Characteristics of the transverse gradient force are discussed. (nanophotonics)

  1. Braun-Le Chatelier principle in dissipative thermodynamics

    OpenAIRE

    Pavelka, Michal; Grmela, Miroslav

    2016-01-01

    Braun-Le Chatelier principle is a fundamental result of equilibrium thermodynamics, showing how stable equilibrium states shift when external conditions are varied. The principle follows from convexity of thermodynamic potential. Analogously, from convexity of dissipation potential it follows how steady non-equilibrium states shift when thermodynamic forces are varied, which is the extension of the principle to dissipative thermodynamics.

  2. Linear and nonlinear thermodynamics of a kinetic heat engine with fast transformations

    Science.gov (United States)

    Cerino, Luca; Puglisi, Andrea; Vulpiani, Angelo

    2016-04-01

    We investigate a kinetic heat engine model composed of particles enclosed in a box where one side acts as a thermostat and the opposite side is a piston exerting a given pressure. Pressure and temperature are varied in a cyclical protocol of period τ : their relative excursions, δ and ɛ , respectively, constitute the thermodynamic forces dragging the system out of equilibrium. The analysis of the entropy production of the system allows us to define the conjugated fluxes, which are proportional to the extracted work and the consumed heat. In the limit of small δ and ɛ the fluxes are linear in the forces through a τ -dependent Onsager matrix whose off-diagonal elements satisfy a reciprocal relation. The dynamics of the piston can be approximated, through a coarse-graining procedure, by a Klein-Kramers equation which—in the linear regime—yields analytic expressions for the Onsager coefficients and the entropy production. A study of the efficiency at maximum power shows that the Curzon-Ahlborn formula is always an upper limit which is approached at increasing values of the thermodynamic forces, i.e., outside of the linear regime. In all our analysis the adiabatic limit τ →∞ and the the small-force limit δ ,ɛ →0 are not directly related.

  3. A study on forces acting on a flapping wing

    Directory of Open Access Journals (Sweden)

    Cetiner O.

    2013-04-01

    Full Text Available In order to study the forces acting on a flapping wing, an experimental investigation is performed in steady water flow. In this study, a SD7003 airfoil undergoes combined pitching and plunging motion which simulates the forward flight of small birds. The frequency of pitching motion is equal to the frequency of plunging motion and pitch leads the plunge by a phase angle of 90 degrees. The experiments are conducted at Reynolds numbers of 2500 ≤ Re ≤ 13700 and the vortex formation is recorded using the digital particle image velocimetry (DPIV technique. A prediction of thrust force and efficiency is calculated from the average wake deficit of DPIV data, the near-wake vorticity patterns and time dependent velocity vectors are determined to comment on the thrust and drag indication. Direct force measurements are attempted using a Force/Torque sensor which is capable of measuring forces and moments in three axial directions.

  4. Analysis of the forces acting on beating cilia

    International Nuclear Information System (INIS)

    Sangani, Ashok S; Vidyadharan, Jyothish; Foster, Kenneth W

    2016-01-01

    Detailed analysis of the forces acting on a uniform-diameter beating cilium is carried out to determine the moment generated by the inter-doublet forces acting along the length of a cilium and the results are compared with the sliding-control theory according to which the moment is a function of the interdoublet sliding. In the central part of the cilium the inter-doublet forces are found to be proportional to the inter-doublet sliding. However, in spite of the uniformity of the diameter of the cilium, the proportionality constant, known as the dynamic stiffness, is not constant along its entire length. Significant variations are observed in the regions both near the tip of the cilium and proximal to the cell body. In the tip region the magnitude of the dynamic stiffness is found to decrease. This decrease is probably due to decrease in the number density of the molecular motors in that region and in the number of doublet microtubules. The behavior in the proximal region, on the other hand, does not appear to be well described by the sliding control theory. Our analysis therefore suggests that the dynamics of ciliary beating cannot be adequately described by a simple sliding-control theory with constant dynamic stiffness. Our analysis suggests that the cilium is differentiated into a basal region optimized for the creation of a wave and a central region optimized to support a traveling wave that provides the thrust for the cell. (paper)

  5. 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.

  6. Thermodynamic analysis of chemical heat pumps

    International Nuclear Information System (INIS)

    Obermeier, Jonas; Müller, Karsten; Arlt, Wolfgang

    2015-01-01

    Thermal energy storages and heat pump units represent an important part of high efficient renewable energy systems. By using thermally driven, reversible chemical reactions a combination of thermal energy storage and heat pump can be realized. The influences of thermophysical properties of the involved components on the efficiency of a heat pump cycle is analysed and the relevance of the thermodynamic driving force is worked out. In general, the behaviour of energetic and exergetic efficiency is contrary. In a real cycle, higher enthalpies of reaction decrease the energetic efficiency but increase the exergetic efficiency. Higher enthalpies of reaction allow for lower offsets from equilibrium state for a default thermodynamic driving force of the reaction. - Highlights: • A comprehensive efficiency analysis of gas-solid heat pumps is proposed. • Link between thermodynamic driving force and equilibrium drop is shown. • Calculation of the equilibrium drop based on thermochemical properties. • Reaction equilibria of the decomposition reaction of salt hydrates. • Contrary behavior of energetic and exergetic efficiency

  7. How do the substrate reaction forces acting on a gecko's limbs respond to inclines?

    Science.gov (United States)

    Wang, Zhouyi; Dai, Zhendong; Li, Wei; Ji, Aihong; Wang, Wenbao

    2015-02-01

    Locomotion is an essential character of animals, and excellent moving ability results from the delicate sensing of the substrate reaction forces (SRF) acting on body and modulating the behavior to adapt the motion requirement. The inclined substrates present in habitats pose a number of functional challenges to locomotion. In order to effectively overcome these challenges, climbing geckos execute complex and accurate movements that involve both the front and hind limbs. Few studies have examined gecko's SRF on steeper inclines of greater than 90°. To reveal how the SRFs acting on the front and hind limbs respond to angle incline changes, we obtained detailed measurements of the three-dimensional SRFs acting on the individual limbs of the tokay gecko while it climbed on an inclined angle of 0-180°. The fore-aft forces acting on the front and hind limbs show opposite trends on inverted inclines of greater than 120°, indicating propulsion mechanism changes in response to inclines. When the incline angles change, the forces exerted in the normal and fore-aft directions by gecko's front and hind limbs are reassigned to take full advantage of limbs' different roles in overcoming resistance and in propelling locomotion. This also ensures that weight acts in the angle range between the forces generated by the front and hind limbs. The change in the distribution of SRF with a change in the incline angle is directly linked to the favorable trade-off between locomotive maneuverability and stability.

  8. Lifting forces acting on a cylindrical magnet above a superconducting plane

    International Nuclear Information System (INIS)

    Yang, Z.J.; Johansen, T.H.; Bratsberg, H.; Bhatnagar, A.; Skjeltorp, A.T.

    1992-01-01

    Based on the London theory, we have calculated and measured the lifting force acting on a cylindrical magnet placed above a superconductor. Comparison between the theoretical expectation and experimental data shows a good agreement. (orig.)

  9. Thermodynamics in rotating systems—analysis of selected examples

    International Nuclear Information System (INIS)

    Güémez, J; Fiolhais, M

    2014-01-01

    We solve a set of selected exercises on rotational motion requiring a mechanical and thermodynamical analysis. When non-conservative forces or thermal effects are present, a complete study must use the first law of thermodynamics together with Newton’s second law. The latter is here better expressed in terms of an ‘angular’ impulse–momentum equation (Poinsot–Euler equation), or, equivalently, in terms of a ‘rotational’ pseudo-work–energy equation. Thermodynamical aspects in rotational systems, when e.g. frictional forces are present or when there is a variation of the rotational kinetic energy due to internal sources of energy, are discussed. (paper)

  10. Concise chemical thermodynamics

    CERN Document Server

    Peters, APH

    2010-01-01

    EnergyThe Realm of ThermodynamicsEnergy BookkeepingNature's Driving ForcesSetting the Scene: Basic IdeasSystem and SurroundingsFunctions of StateMechanical Work and Expanding GasesThe Absolute Temperature Scale Forms of Energy and Their Interconversion Forms of Renewable Energy Solar Energy Wind Energy Hydroelectric Power Geothermal Energy Biomass Energy References ProblemsThe First Law of Thermodynamics Statement of the First Law Reversible Expansion of an Ideal GasConstant-Volume ProcessesConstant-Pressure ProcessesA New Function: EnthalpyRelationship between ?H and ?UUses and Conventions of

  11. Impact of Thermodynamic Principles in Systems Biology

    NARCIS (Netherlands)

    Heijnen, J.J.

    2010-01-01

    It is shown that properties of biological systems which are relevant for systems biology motivated mathematical modelling are strongly shaped by general thermodynamic principles such as osmotic limit, Gibbs energy dissipation, near equilibria and thermodynamic driving force. Each of these aspects

  12. Experimental investigation of unsteady fluid dynamic forces acting on tube array

    International Nuclear Information System (INIS)

    Tanaka, Hiroki; Takahara, Shigeru; Tanaka, Mitsutoshi

    1981-01-01

    It is well-known that the cylinder bundle vibrates in cross flow. Many studies of the vibration have been made, and it has been clarified that the vibration is caused by fluid-elastic vibration coupling to neighboring cylinders. The theory given in this paper considers unsteady fluid dynamic forces to be composed of inertia forces due to added mass of fluid, damping forces of fluid which are in phase to cylinder vibrating velocity, and stiffness forces which are proportional to cylinder displacements. Furthermore, taking account of the influences of neighboring cylinder vibrations, ten kinds of unsteady fluid dynamic forces are considered to act on a cylinder in cylinder bundles. Equations of motion of cylinders were deduced and the critical velocities were calculated with the measured unsteady fluid dynamic forces. Critical velocity tests were also conducted with cylinders which were supported with elastic spars. The calculated critical velocities coincided well with the test results. (author)

  13. Derivation of the phase field equations from the thermodynamic extremal principle

    International Nuclear Information System (INIS)

    Svoboda, J.; Fischer, F.D.; McDowell, D.L.

    2012-01-01

    Thermodynamics employs quantities that characterize the state of the system and provides driving forces for system evolution. These quantities can be applied by means of the thermodynamic extremal principle to obtain models and consequently constitutive equations for the evolution of the thermodynamic systems. The phase field method is a promising tool for simulation of the microstructure evolution in complex systems but introduces several parameters that are not standard in thermodynamics. The purpose of this paper is to show how the phase field method equations can be derived from the thermodynamic extremal principle, allowing the common treatment of the phase field parameters together with standard thermodynamic parameters in future applications. Fixed values of the phase field parameters may, however, not guarantee fixed values of thermodynamic parameters. Conditions are determined, for which relatively stable values of the thermodynamic parameters are guaranteed during phase field method simulations of interface migration. Finally, analytical relations between the thermodynamic and phase field parameters are found and verified for these simulations. A slight dependence of the thermodynamic parameters on the driving force is determined for the cases examined.

  14. Dehydrogenation Kinetics and Modeling Studies of MgH2 Enhanced by Transition Metal Oxide Catalysts Using Constant Pressure Thermodynamic Driving Forces

    Directory of Open Access Journals (Sweden)

    Saidi Temitope Sabitu

    2012-06-01

    Full Text Available The influence of transition metal oxide catalysts (ZrO2, CeO2, Fe3O4 and Nb2O5 on the hydrogen desorption kinetics of MgH2 was investigated using constant pressure thermodynamic driving forces in which the ratio of the equilibrium plateau pressure (pm to the opposing plateau (pop was the same in all the reactions studied. The results showed Nb2O5 to be vastly superior to other catalysts for improving the thermodynamics and kinetics of MgH2. The modeling studies showed reaction at the phase boundary to be likely process controlling the reaction rates of all the systems studied.

  15. Two-phase cross-flow-induced forces acting on a circular cylinder

    International Nuclear Information System (INIS)

    Hara, F.

    1982-01-01

    This paper clarifies the characteristics of unsteady flow-induced lift and drag forces acting on a circular cylinder immersed perpendicular to a two-phase bubbly air-water flow, in conjunction with Karman vortex shedding and pressure fluctuations. Experimental results presented show that Karman vortex shedding disappears over a certain value of air concentration in the two-phase flow. Related to this disappearance, flow-induced forces are rather small and periodical in low air concentration but become very large and random in higher air concentration. 7 refs

  16. Thermodynamic Study of Tl6SBr4 Compound and Some Regularities in Thermodynamic Properties of Thallium Chalcohalides

    Directory of Open Access Journals (Sweden)

    Dunya Mahammad Babanly

    2017-01-01

    Full Text Available The solid-phase diagram of the Tl-TlBr-S system was clarified and the fundamental thermodynamic properties of Tl6SBr4 compound were studied on the basis of electromotive force (EMF measurements of concentration cells relative to a thallium electrode. The EMF results were used to calculate the relative partial thermodynamic functions of thallium in alloys and the standard integral thermodynamic functions (-ΔfG0, -ΔfH0, and S0298 of Tl6SBr4 compound. All data regarding thermodynamic properties of thallium chalcogen-halides are generalized and comparatively analyzed. Consequently, certain regularities between thermodynamic functions of thallium chalcogen-halides and their binary constituents as well as degree of ionization (DI of chemical bonding were revealed.

  17. 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.

  18. 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

  19. Thermodynamic Driving Force of Hydrogen on Rumen Microbial Metabolism: A Theoretical Investigation.

    Science.gov (United States)

    van Lingen, Henk J; Plugge, Caroline M; Fadel, James G; Kebreab, Ermias; Bannink, André; Dijkstra, Jan

    2016-01-01

    Hydrogen is a key product of rumen fermentation and has been suggested to thermodynamically control the production of the various volatile fatty acids (VFA). Previous studies, however, have not accounted for the fact that only thermodynamic near-equilibrium conditions control the magnitude of reaction rate. Furthermore, the role of NAD, which is affected by hydrogen partial pressure (PH2), has often not been considered. The aim of this study was to quantify the control of PH2 on reaction rates of specific fermentation pathways, methanogenesis and NADH oxidation in rumen microbes. The control of PH2 was quantified using the thermodynamic potential factor (FT), which is a dimensionless factor that corrects a predicted kinetic reaction rate for the thermodynamic control exerted. Unity FT was calculated for all glucose fermentation pathways considered, indicating no inhibition of PH2 on the production of a specific type of VFA (e.g., acetate, propionate and butyrate) in the rumen. For NADH oxidation without ferredoxin oxidation, increasing PH2 within the rumen physiological range decreased FT from unity to zero for different NAD+ to NADH ratios and pH of 6.2 and 7.0, which indicates thermodynamic control of PH2. For NADH oxidation with ferredoxin oxidation, increasing PH2 within the rumen physiological range decreased FT from unity at pH of 7.0 only. For the acetate to propionate conversion, FT increased from 0.65 to unity with increasing PH2, which indicates thermodynamic control. For propionate to acetate and butyrate to acetate conversions, FT decreased to zero below the rumen range of PH2, indicating full thermodynamic suppression. For methanogenesis by archaea without cytochromes, FT differed from unity only below the rumen range of PH2, indicating no thermodynamic control. This theoretical investigation shows that thermodynamic control of PH2 on individual VFA produced and associated yield of hydrogen and methane cannot be explained without considering NADH

  20. Thermodynamic Driving Force of Hydrogen on Rumen Microbial Metabolism: A Theoretical Investigation.

    Directory of Open Access Journals (Sweden)

    Henk J van Lingen

    Full Text Available Hydrogen is a key product of rumen fermentation and has been suggested to thermodynamically control the production of the various volatile fatty acids (VFA. Previous studies, however, have not accounted for the fact that only thermodynamic near-equilibrium conditions control the magnitude of reaction rate. Furthermore, the role of NAD, which is affected by hydrogen partial pressure (PH2, has often not been considered. The aim of this study was to quantify the control of PH2 on reaction rates of specific fermentation pathways, methanogenesis and NADH oxidation in rumen microbes. The control of PH2 was quantified using the thermodynamic potential factor (FT, which is a dimensionless factor that corrects a predicted kinetic reaction rate for the thermodynamic control exerted. Unity FT was calculated for all glucose fermentation pathways considered, indicating no inhibition of PH2 on the production of a specific type of VFA (e.g., acetate, propionate and butyrate in the rumen. For NADH oxidation without ferredoxin oxidation, increasing PH2 within the rumen physiological range decreased FT from unity to zero for different NAD+ to NADH ratios and pH of 6.2 and 7.0, which indicates thermodynamic control of PH2. For NADH oxidation with ferredoxin oxidation, increasing PH2 within the rumen physiological range decreased FT from unity at pH of 7.0 only. For the acetate to propionate conversion, FT increased from 0.65 to unity with increasing PH2, which indicates thermodynamic control. For propionate to acetate and butyrate to acetate conversions, FT decreased to zero below the rumen range of PH2, indicating full thermodynamic suppression. For methanogenesis by archaea without cytochromes, FT differed from unity only below the rumen range of PH2, indicating no thermodynamic control. This theoretical investigation shows that thermodynamic control of PH2 on individual VFA produced and associated yield of hydrogen and methane cannot be explained without

  1. Introduction to physics mechanics, hydrodynamics thermodynamics

    CERN Document Server

    Frauenfelder, P

    2013-01-01

    Introduction of Physics: Mechanics , Hydrodynamics, Thermodynamics covers the principles of matter and its motion through space and time, as well as the related concepts of energy and force. This book is composed of eleven chapters, and begins with an introduction to the basic principles of mechanics, hydrodynamics, and thermodynamics. The subsequent chapters deal with the statics of rigid bodies and the dynamics of particles and rigid bodies. These topics are followed by discussions on elasticity, mechanics of fluids, the basic concept of thermodynamic, kinetic theory, and crystal structure o

  2. Mechanics, Waves and Thermodynamics

    Science.gov (United States)

    Ranjan Jain, Sudhir

    2016-05-01

    Figures; Preface; Acknowledgement; 1. Energy, mass, momentum; 2. Kinematics, Newton's laws of motion; 3. Circular motion; 4. The principle of least action; 5. Work and energy; 6. Mechanics of a system of particles; 7. Friction; 8. Impulse and collisions; 9. Central forces; 10. Dimensional analysis; 11. Oscillations; 12. Waves; 13. Sound of music; 14. Fluid mechanics; 15. Water waves; 16. The kinetic theory of gases; 17. Concepts and laws of thermodynamics; 18. Some applications of thermodynamics; 19. Basic ideas of statistical mechanics; Bibliography; Index.

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

    Science.gov (United States)

    Esposito, Massimiliano; Ochoa, Maicol A; Galperin, Michael

    2015-02-27

    We establish the foundations of a nonequilibrium theory of quantum thermodynamics for noninteracting open quantum systems strongly coupled to their reservoirs within the framework of the nonequilibrium Green's functions. The energy of the system and its coupling to the reservoirs are controlled by a slow external time-dependent force treated to first order beyond the quasistatic limit. We derive the four basic laws of thermodynamics and characterize reversible transformations. Stochastic thermodynamics is recovered in the weak coupling limit.

  4. Surface dependency in thermodynamics of ideal gases

    International Nuclear Information System (INIS)

    Sisman, Altug

    2004-01-01

    The Casimir-like size effect rises in ideal gases confined in a finite domain due to the wave character of atoms. By considering this effect, thermodynamic properties of an ideal gas confined in spherical and cylindrical geometries are derived and compared with those in rectangular geometry. It is seen that an ideal gas exhibits an unavoidable quantum surface free energy and surface over volume ratio becomes a control variable on thermodynamic state functions in microscale. Thermodynamics turns into non-extensive thermodynamics and geometry difference becomes a driving force since the surface over volume ratio depends on the geometry

  5. Non-equilibrium thermodynamics in cells.

    Science.gov (United States)

    Jülicher, Frank; Grill, Stephan W; Salbreux, Guillaume

    2018-03-15

    We review the general hydrodynamic theory of active soft materials that is motivated in partic- ular by biological matter. We present basic concepts of irreversible thermodynamics of spatially extended multicomponent active systems. Starting from the rate of entropy production, we iden- tify conjugate thermodynamic fluxes and forces and present generic constitutive equations of polar active fluids and active gels. We also discuss angular momentum conservation which plays a role in the the physics of active chiral gels. The irreversible thermodynamics of active gels provides a general framework to discuss the physics that underlies a wide variety of biological processes in cells and in multicellular tissues. © 2018 IOP Publishing Ltd.

  6. Static and Dynamic Performance Simulation of Direct-Acting Force Motor Valve

    Science.gov (United States)

    Ye, Xinghai; Ding, Jianjun; Zheng, Gang; Jiang, Kunpeng; Chen, Dongdong

    2017-07-01

    This work focuses on static and dynamic characteristics of direct-acting force motor valve. First, we analyzed the structure features and operating principle of the Mitsubishi-Hitachi force motor valve (FMV) and the operating principle of its internal permanent-magnet moving-coil force motor magnetic circuit, determined the transfer function of the FMV force motor system, and established a mathematical model for the system. Secondly, we established a static performance analysis model using the AMESIM software and utilized the model in combination with experimental results to analyze the effects of electro-hydraulic servo valve structural parameters on static characteristics. Lastly, we deduced the trajectory equation of the system, established the relationship between dynamic characteristic indexes and structural parameters, and analyzed the effects of different parameter values on the dynamic characteristics of the system. This research can provide a theoretical guidance for designing and manufacturing the FMV body.

  7. A Basic Study on Countermeasure Against Aerodynamic Force Acting on Train Running Inside Tunnel Using Air Blowing

    Science.gov (United States)

    Suzuki, Masahiro; Nakade, Koji

    A basic study of flow controls using air blowing was conducted to reduce unsteady aerodynamic force acting on trains running in tunnels. An air blowing device is installed around a model car in a wind tunnel. Steady and periodic blowings are examined utilizing electromagnetic valves. Pressure fluctuations are measured and the aerodynamic force acting on the car is estimated. The results are as follows: a) The air blowing allows reducing the unsteady aerodynamic force. b) It is effective to blow air horizontally at the lower side of the car facing the tunnel wall. c) The reduction rate of the unsteady aerodynamic force relates to the rate of momentum of the blowing to that of the uniform flow. d) The periodic blowing with the same frequency as the unsteady aerodynamic force reduces the aerodynamic force in a manner similar to the steady blowing.

  8. Pathway Thermodynamics Highlights Kinetic Obstacles in Central Metabolism

    Science.gov (United States)

    Flamholz, Avi; Reznik, Ed; Liebermeister, Wolfram; Milo, Ron

    2014-01-01

    In metabolism research, thermodynamics is usually used to determine the directionality of a reaction or the feasibility of a pathway. However, the relationship between thermodynamic potentials and fluxes is not limited to questions of directionality: thermodynamics also affects the kinetics of reactions through the flux-force relationship, which states that the logarithm of the ratio between the forward and reverse fluxes is directly proportional to the change in Gibbs energy due to a reaction (ΔrG′). Accordingly, if an enzyme catalyzes a reaction with a ΔrG′ of -5.7 kJ/mol then the forward flux will be roughly ten times the reverse flux. As ΔrG′ approaches equilibrium (ΔrG′ = 0 kJ/mol), exponentially more enzyme counterproductively catalyzes the reverse reaction, reducing the net rate at which the reaction proceeds. Thus, the enzyme level required to achieve a given flux increases dramatically near equilibrium. Here, we develop a framework for quantifying the degree to which pathways suffer these thermodynamic limitations on flux. For each pathway, we calculate a single thermodynamically-derived metric (the Max-min Driving Force, MDF), which enables objective ranking of pathways by the degree to which their flux is constrained by low thermodynamic driving force. Our framework accounts for the effect of pH, ionic strength and metabolite concentration ranges and allows us to quantify how alterations to the pathway structure affect the pathway's thermodynamics. Applying this methodology to pathways of central metabolism sheds light on some of their features, including metabolic bypasses (e.g., fermentation pathways bypassing substrate-level phosphorylation), substrate channeling (e.g., of oxaloacetate from malate dehydrogenase to citrate synthase), and use of alternative cofactors (e.g., quinone as an electron acceptor instead of NAD). The methods presented here place another arrow in metabolic engineers' quiver, providing a simple means of evaluating

  9. Wind Tunnel Testing on Crosswind Aerodynamic Forces Acting on Railway Vehicles

    Science.gov (United States)

    Kwon, Hyeok-Bin; Nam, Seong-Won; You, Won-Hee

    This study is devoted to measure the aerodynamic forces acting on two railway trains, one of which is a high-speed train at 300km/h maximum operation speed, and the other is a conventional train at the operating speed 100km/h. The three-dimensional train shapes have been modeled as detailed as possible including the inter-car, the upper cavity for pantograph, and the bogie systems. The aerodynamic forces on each vehicle of the trains have been measured in the subsonic wind tunnel with 4m×3m test section of Korea Aerospace Research Institute at Daejeon, Korea. The aerodynamic forces and moments of the train models have been plotted for various yaw angles and the characteristics of the aerodynamic coefficients has been discussed relating to the experimental conditions.

  10. A computer program for lattice-dynamical evaluation of Debye-Waller factors and thermodynamic functions for minerals, starting from empirical force fields

    International Nuclear Information System (INIS)

    Pilati, T.; Dermartin, F.; Gramaccioli, C.M.

    1993-01-01

    A wide-purpose computer program has been written (Fortran) for lattice dynamical evaluation of crystallographic and thermodynamic properties of solids, especially minerals or inorganic substances.The program essentially consists of a routine affording first and second derivatives of energy with respect to mass weighted coordinates, properly modulated by a wave vector algorithm, so that diagonalization can immediately follow and arrive at frequencies, density of states, and eventually to thermodynamic functions and Debye-Waller parameters thorough an automatic Brillouin-zone sampling procedure. The input consists of crystallographic data (unit-cell parameters, space group symmetry operations, atomic coordinates), plus atomic charge and empirical parameters, such as force constants or non-bonded atom-atom interaction energy functions in almost any form. It is also possible to obtain the structure corresponding to the energy minimum, or even to work with partial rigid bodies, in order to reduce the order of the dynamical matrices. The program provides for automatic symmetry labelling of the vibrational modes, in order to compare them with the experimental data; there is possibility of improving the empirical functions through a minimization routine. Examples of application and transferability of force fields to a series of minerals are provided. (author)

  11. Simulation of airflow and aerodynamic forces acting on a commercial turbine ventilator

    International Nuclear Information System (INIS)

    Farahani, A.S.; Nor Mariah Adam; Khairol Anuar

    2009-01-01

    Full text: This study is concerned with performing simulation of airflow using Computational Fluid Dynamics (CFD) technique code name FLUENT so as to visualize the flow behavior around and within turbine ventilator in addition to determining the aerodynamic forces acting on turbine ventilator during operation and comparing the simulated results to the wind tunnel experiment. To achieve this, Realizable k-ε and RSM turbulence models are used by taking advantage of moving mesh method to simulate the rotation of turbine ventilator and the consequent results are obtained through the sequential process which ensures accuracy of the computations. The results demonstrated that, the RSM turbulence model shows the best performance on flow visualization and predicting the aerodynamic forces acting on a turbine ventilator. Results from this work would lead us to a noticeable increase in efficiency of future turbine ventilator by enhancing the shape of inner vanes, and redesign them using CFD technique. (author)

  12. On the absorbing force of magnetic fields acting on magnetic particle under magnetic particle examination

    International Nuclear Information System (INIS)

    Maeda, N.

    1988-01-01

    During the magnetic particle examination, magnetic particles near defects are deposited by an absorbing force of magnetic fields acting on the magnetic particles. Therefore, a quantitative determination of this absorbing force is a theoretical and experimental basis for solving various problems associated with magnetic particle examinations. The absorbing force is formulated based on a magnetic dipole model, and a measuring method of the absorbing force using magnetic fields formed around linear current is proposed. Measurements according to this method produced appropriate results, verifying the validation of the concept and the measuring method

  13. Unsteady analysis on the instantaneous forces and moment arms acting on a novel Savonius-style wind turbine

    International Nuclear Information System (INIS)

    Roy, Sukanta; Ducoin, Antoine

    2016-01-01

    Highlights: • Two-dimensional unsteady simulations on a novel Savonius-style wind turbine. • Instantaneous behavior of drag and lift coefficients, and corresponding moment arms. • Effect of tip speed ratio on the instantaneous force coefficients and moments arms. • Effect of force coefficients and moment arms on the instantaneous moment and power. • Analysis of power and moment coefficients at different tip speed ratios. - Abstract: This paper aims to present a transient analysis on the forces acting on a novel two-bladed Savonius-style wind turbine. Two-dimensional unsteady Reynolds Averaged Navier Stokes equations are solved using shear stress transport k–ω turbulence model at a Reynolds number of 1.23 × 10"5. The instantaneous longitudinal drag and lateral lift forces acting on each of the blades and their acting points are calculated. The corresponding moment arms responsible for the torque generation are obtained. Further, the effect of tip speed ratio on the force coefficients, moment arms and overall turbine performances are observed. Throughout the paper, the obtained results for the new design are discussed with reference to conventional semi-circular design of Savonius turbines. A significant performance improvement is achieved with the new design due to its increased lift and moment arm contribution as compared to the conventional design. More interestingly, the present study sets a platform for future aerodynamic research and improvements for Savonius-style wind turbines.

  14. Quantum thermodynamics of nanoscale steady states far from equilibrium

    Science.gov (United States)

    Taniguchi, Nobuhiko

    2018-04-01

    We develop an exact quantum thermodynamic description for a noninteracting nanoscale steady state that couples strongly with multiple reservoirs. We demonstrate that there exists a steady-state extension of the thermodynamic function that correctly accounts for the multiterminal Landauer-Büttiker formula of quantum transport of charge, energy, or heat via the nonequilibrium thermodynamic relations. Its explicit form is obtained for a single bosonic or fermionic level in the wide-band limit, and corresponding thermodynamic forces (affinities) are identified. Nonlinear generalization of the Onsager reciprocity relations are derived. We suggest that the steady-state thermodynamic function is also capable of characterizing the heat current fluctuations of the critical transport where the thermal fluctuations dominate. Also, the suggested nonequilibrium steady-state thermodynamic relations seemingly persist for a spin-degenerate single level with local interaction.

  15. Thermodynamics and entanglements of walks under stress

    International Nuclear Information System (INIS)

    Janse van Rensburg, E J; Orlandini, E; Tesi, M C; Whittington, S G

    2009-01-01

    We use rigorous arguments and Monte Carlo simulations to study the thermodynamics and the topological properties of self-avoiding walks on the cubic lattice subjected to an external force f. The walks are anchored at one or both endpoints to an impenetrable plane at Z = 0 and the force is applied in the Z-direction. If a force is applied to the free endpoint of an anchored walk, then a model of pulled walks is obtained. If the walk is confined to a slab and a force is applied to the top bounding plane, then a model of stretched walks is obtained. For both models we prove the existence of the limiting free energy for any value of the force and we show that, for compressive forces, the thermodynamic properties of the two models differ substantially. For pulled walks we prove the existence of a phase transition that, by numerical simulation, we estimate to be second order and located at f = 0. By using a pattern theorem for large positive forces we show that almost all sufficiently long stretched walks are knotted. We examine the entanglement complexity of stretched and pulled walks; our numerical results show a sharp reduction with increasing pulling and stretching forces. Finally, we also examine models of pulled and stretched loops. We prove the existence of limiting free energies in these models and consider the knot probability numerically as a function of the applied pulling or stretching force

  16. The flow field acting on the fluttering profile, kinematics, forces and total moment

    Czech Academy of Sciences Publication Activity Database

    Kozánek, Jan; Vlček, Václav; Zolotarev, Igor

    2013-01-01

    Roč. 13, č. 7 (2013), s. 1-7 ISSN 0219-4554 R&D Projects: GA ČR GA101/09/1522 Institutional support: RVO:61388998 Keywords : fluttering profile * interferometry visualization * acting forces and moment Subject RIV: JU - Aeronautics, Aerodynamics, Aircrafts Impact factor: 1.059, year: 2013

  17. Thermodynamic fingerprints of ligand binding to human telomeric G-quadruplexes

    OpenAIRE

    Bon?ina, Matja?; Podlipnik, ?rtomir; Piantanida, Ivo; Eilmes, Julita; Teulade-Fichou, Marie-Paule; Vesnaver, Gorazd; Lah, Jurij

    2015-01-01

    Thermodynamic studies of ligand binding to human telomere (ht) DNA quadruplexes, as a rule, neglect the involvement of various ht-DNA conformations in the binding process. Therefore, the thermodynamic driving forces and the mechanisms of ht-DNA G-quadruplex-ligand recognition remain poorly understood. In this work we characterize thermodynamically and structurally binding of netropsin (Net), dibenzotetraaza[14]annulene derivatives (DP77, DP78), cationic porphyrin (TMPyP4) and two bisquinolini...

  18. The discovery of thermodynamics

    Science.gov (United States)

    Weinberger, Peter

    2013-07-01

    Based on the idea that a scientific journal is also an "agora" (Greek: market place) for the exchange of ideas and scientific concepts, the history of thermodynamics between 1800 and 1910 as documented in the Philosophical Magazine Archives is uncovered. Famous scientists such as Joule, Thomson (Lord Kelvin), Clausius, Maxwell or Boltzmann shared this forum. Not always in the most friendly manner. It is interesting to find out, how difficult it was to describe in a scientific (mathematical) language a phenomenon like "heat", to see, how long it took to arrive at one of the fundamental principles in physics: entropy. Scientific progress started from the simple rule of Boyle and Mariotte dating from the late eighteenth century and arrived in the twentieth century with the concept of probabilities. Thermodynamics was the driving intellectual force behind the industrial revolution, behind the enormous social changes caused by this revolution. The history of thermodynamics is a fascinating story, which also gives insights into the mechanism that seem to govern science.

  19. Coupling of Waves, Turbulence and Thermodynamics Across the Marginal Ice Zone

    Science.gov (United States)

    2015-09-30

    1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Coupling of Waves, Turbulence and Thermodynamics across...developing Thermodynamically Forced Marginal Ice Zone. Submitted to JGR. Heiles,A. S., NPS thesis, Sep. 2014 Schmidt, B. K., NPS thesis March 2012 Shaw

  20. Torquing an upper central incisor with aligners--acting forces and biomechanical principles.

    Science.gov (United States)

    Hahn, Wolfram; Zapf, Antonia; Dathe, Henning; Fialka-Fricke, Julia; Fricke-Zech, Susanne; Gruber, Rudolf; Kubein-Meesenburg, Dietmar; Sadat-Khonsari, Reza

    2010-12-01

    The forces delivered by aligners during torquing have still not been investigated. The purpose of this study was to measure the forces delivered to an upper central incisor during torquing with three different materials of the same thickness, and to describe the biomechanical principles of torquing with aligners. Five identical appliances were manufactured from each of three materials, all with a thickness of 1.0 mm (Ideal Clear®, Erkodur®, and Biolon®). An upper central incisor, as part of the measuring device, was torqued in defined steps in the vestibular and palatal directions with the respective appliance in place. For statistical analysis, the resulting forces, Fx (forces acting in the palatal and facial directions) and Fz (intrusive force as a side-effect) at a displacement of ±0.15 and ±0.8 mm from the tooth at the gingival margin were calculated. The mean Fx forces for ±0.15 mm displacement ranged from -1.89 N [standard deviation (SD) 0.48] to 0.11 N (SD 0.1). The mean Fz forces were between -0.97 N (SD 0.57) and -0.07 N (SD 0.22). The highest intrusive forces were measured during palatal displacement of the measuring tooth. An influence of direction of displacement on the levels of force was observed, especially for Fz at the greater displacement of ±0.8 mm. In relation to the intended amount of root movement during torquing, aligners tend to 'lift up' and therefore no effective force couple can be established for further root control. The force delivery properties are also influenced by the material used and the shape of the tooth.

  1. Thermodynamics of Fluids Under Flow Second Edition

    CERN Document Server

    Jou, David; Criado-Sancho, Manuel

    2011-01-01

    This is the second edition of the book “Thermodynamics of Fluids under Flow,” which was published in 2000 and has now been corrected, expanded and updated. This is a companion book to our other title Extended irreversible thermodynamics (D. Jou, J. Casas-Vázquez and G. Lebon, Springer, 4th edition 2010), and of the textbook Understanding non-equilibrium thermodynamics (G. Lebon, D. Jou and J. Casas-Vázquez, Springer, 2008. The present book is more specialized than its counterpart, as it focuses its attention on the non-equilibrium thermodynamics of flowing fluids, incorporating non-trivial thermodynamic contributions of the flow, going beyond local equilibrium theories, i.e., including the effects of internal variables and of external forcing due to the flow. Whereas the book's first edition was much more focused on polymer solutions, with brief glimpses into ideal and real gases, the present edition covers a much wider variety of systems, such as: diluted and concentrated polymer solutions, polymer ble...

  2. Magnetic force acting on a magnetic dipole over a superconducting thin film

    International Nuclear Information System (INIS)

    Wei, J.C.; Chen, J.L.; Horng, L.; Yang, T.J.

    1996-01-01

    The magnetostatic interaction energy and corresponding magnetic force acting on a magnetic point dipole placed above a type-II thin superconducting film in the mixed state with a single vortex are calculated using electromagnetics coupled with the London theory of superconductivity. If a vortex is trapped by a circular defect of radius b 1, where a is the separation between the dipole and the thin film, the only difference between two results is in the cutoff length, i.e., in the case of a circular defect the only difference in the critical position calculation is the cutoff at radius b rather than at coherence length ξ. The pinning force of a single vortex by a circular defect is also calculated. Further, we investigate the conditions of the vortex creation for various cases (including the first, second, and third vortices) for a free of pinning center in the examining region. It is found that the creation of a new single vortex in the thin film causes an abrupt change in vertical levitation force: the force changed discontinuously. copyright 1996 The American Physical Society

  3. Air Force Personnel Can Improve Compliance With the Berry Amendment and Buy American Act

    Science.gov (United States)

    2016-02-24

    leather, furs,6 apparel , and shoes • FSG 84 – clothing , individual equipment and insignia • FSG 89 – subsistence (food) If these items are purchased...during the audit by completing Buy American Act training and amending standard operating procedures and internal processes to improve compliance with the...Force Personnel Can Improve Compliance With the Berry Amendment and the Buy American Act F E B R U A R Y 2 4 , 2 0 1 6 Report No. DODIG-2016-051

  4. Dissipation effects in mechanics and thermodynamics

    Science.gov (United States)

    Güémez, J.; Fiolhais, M.

    2016-07-01

    With the discussion of three examples, we aim at clarifying the concept of energy transfer associated with dissipation in mechanics and in thermodynamics. The dissipation effects due to dissipative forces, such as the friction force between solids or the drag force in motions in fluids, lead to an internal energy increase of the system and/or to heat transfer to the surroundings. This heat flow is consistent with the second law, which states that the entropy of the universe should increase when those forces are present because of the irreversibility always associated with their actions. As far as mechanics is concerned, the effects of the dissipative forces are included in Newton’s equations as impulses and pseudo-works.

  5. Thermodynamic Studies for Drug Design and Screening

    Science.gov (United States)

    Garbett, Nichola C.; Chaires, Jonathan B.

    2012-01-01

    Introduction A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. Areas covered This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 – 2011 using the Science Citation Index and PUBMED and the keywords listed below. Expert opinion The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically-driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development towards an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. PMID:22458502

  6. Thermodynamic studies for drug design and screening.

    Science.gov (United States)

    Garbett, Nichola C; Chaires, Jonathan B

    2012-04-01

    A key part of drug design and development is the optimization of molecular interactions between an engineered drug candidate and its binding target. Thermodynamic characterization provides information about the balance of energetic forces driving binding interactions and is essential for understanding and optimizing molecular interactions. This review discusses the information that can be obtained from thermodynamic measurements and how this can be applied to the drug development process. Current approaches for the measurement and optimization of thermodynamic parameters are presented, specifically higher throughput and calorimetric methods. Relevant literature for this review was identified in part by bibliographic searches for the period 2004 - 2011 using the Science Citation Index and PUBMED and the keywords listed below. The most effective drug design and development platform comes from an integrated process utilizing all available information from structural, thermodynamic and biological studies. Continuing evolution in our understanding of the energetic basis of molecular interactions and advances in thermodynamic methods for widespread application are essential to realize the goal of thermodynamically driven drug design. Comprehensive thermodynamic evaluation is vital early in the drug development process to speed drug development toward an optimal energetic interaction profile while retaining good pharmacological properties. Practical thermodynamic approaches, such as enthalpic optimization, thermodynamic optimization plots and the enthalpic efficiency index, have now matured to provide proven utility in the design process. Improved throughput in calorimetric methods remains essential for even greater integration of thermodynamics into drug design. © 2012 Informa UK, Ltd.

  7. Calculation of the force acting on a drop in a nonuniform flow of a current-supporting fluid

    International Nuclear Information System (INIS)

    Korovin, V.M.

    1993-01-01

    In the context of wide use of intense electric currents in various technological process, it is of practical interest to investigate the characteristics of the force action of electromagnetic fields on a variety of inclusions - solid particles, drops, gas bubbles - suspended in current-supporting fluids. In the available studies one treats the simplest case, in which the vortical component of the electromagnetic forces, generated by the interaction of the current with the internal magnetic field, is nonvanishing only in small vicinities near these inclusions, and therefore these electromagnetic forces do not generate global motion of the homogeneous current-supporting fluid. In practice, in most cases the vortical component of electromagnetic forces plays a substantial role in the whole operating region of the technological device, and the motion of the current-supporting fluid is created specifically by electromagnetic forces. In the case of a varying electromagnetic field the forces acting on particles are located in the conducting fluid, moving under the field action, were calculated by Korovim (Korovim, V. M., open-quotes The calculation of forces acting on suspended particles during the flow of a conducting fluid in a varying electromagnetic field,close quotes Magn. Gidrodin, No. 1 95-102 (1991)). In the present study the authors generalize the method suggested by Korovin for calculating forces applied to both drops and particles and gas bubbles suspended in the gradient flow of a fluid moving under the action of a constant electromagnetic field. 6 refs

  8. Principles and applications of force spectroscopy using atomic force microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Kyu; Kim, Woong; Park, Joon Won [Dept. of Chemistry, Pohang University of Science and Technology, Pohang (Korea, Republic of)

    2016-12-15

    Single-molecule force spectroscopy is a powerful technique for addressing single molecules. Unseen structures and dynamics of molecules have been elucidated using force spectroscopy. Atomic force microscope (AFM)-based force spectroscopy studies have provided picoNewton force resolution, subnanometer spatial resolution, stiffness of substrates, elasticity of polymers, and thermodynamics and kinetics of single-molecular interactions. In addition, AFM has enabled mapping the distribution of individual molecules in situ, and the quantification of single molecules has been made possible without modification or labeling. In this review, we describe the basic principles, sample preparation, data analysis, and applications of AFM-based force spectroscopy and its future.

  9. Thermodynamics, thermoeconomic and economic analysis of ...

    African Journals Online (AJOL)

    The thermoeconomic analysis proposes the distribution of costs based on thermodynamic concepts, enabling the evaluation of reflection of the investment costs and fuel in the cost of products (steam and electricity). The economic analysis acts as a deciding factor for acceptance or project rejection. Keywords: Cogeneration ...

  10. Thermodynamics of intersecting black branes from interacting elementary branes

    Energy Technology Data Exchange (ETDEWEB)

    Morita, Takeshi [Department of Physics, Shizuoka University,836 Ohya, Suruga-ku, Shizuoka 422-8529 (Japan); Shiba, Shotaro [Maskawa Institute for Science and Culture, Kyoto Sangyo University,Kamigamo-Motoyama, Kita-ku, Kyoto 603-8555 (Japan)

    2015-09-14

    If an Einstein-Maxwell-Dilaton system admits the extreme brane solution in which no force works between the parallel branes, the collective motion of nearly parallel branes exhibits the thermodynamical properties which are coincident with those of the corresponding black branes at low energy regime (up to unfixed numerical factors). Hence it may provide the microscopic description of the black branes (p-soup proposal). This fact motivates us to test this proposal in the intersecting black branes which have multiple brane charges and/or momentum along the brane direction. We consider the case that the multiple branes satisfy the intersection rule and feel no force when they are static, and find the agreement to the black hole thermodynamics.

  11. Is Gravity an Entropic Force?

    Directory of Open Access Journals (Sweden)

    Shan Gao

    2011-04-01

    Full Text Available The remarkable connections between gravity and thermodynamics seem to imply that gravity is not fundamental but emergent, and in particular, as Verlinde suggested, gravity is probably an entropic force. In this paper, we will argue that the idea of gravity as an entropic force is debatable. It is shown that there is no convincing analogy between gravity and entropic force in Verlinde’s example. Neither holographic screen nor test particle satisfies all requirements for the existence of entropic force in a thermodynamics system. Furthermore, we show that the entropy increase of the screen is not caused by its statistical tendency to increase entropy as required by the existence of entropic force, but in fact caused by gravity. Therefore, Verlinde’s argument for the entropic origin of gravity is problematic. In addition, we argue that the existence of a minimum size of spacetime, together with the Heisenberg uncertainty principle in quantum theory, may imply the fundamental existence of gravity as a geometric property of spacetime. This may provide a further support for the conclusion that gravity is not an entropic force.

  12. 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

  13. The 4th Thermodynamic Principle?

    International Nuclear Information System (INIS)

    Montero Garcia, Jose de la Luz; Novoa Blanco, Jesus Francisco

    2007-01-01

    It should be emphasized that the 4th Principle above formulated is a thermodynamic principle and, at the same time, is mechanical-quantum and relativist, as it should inevitably be and its absence has been one of main the theoretical limitations of the physical theory until today.We show that the theoretical discovery of Dimensional Primitive Octet of Matter, the 4th Thermodynamic Principle, the Quantum Hexet of Matter, the Global Hexagonal Subsystem of Fundamental Constants of Energy and the Measurement or Connected Global Scale or Universal Existential Interval of the Matter is that it is possible to be arrived at a global formulation of the four 'forces' or fundamental interactions of nature. The Einstein's golden dream is possible

  14. Thermodynamics of Horndeski black holes with non-minimal derivative coupling

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yan-Gang [Nankai University, School of Physics, Tianjin (China); Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut), Potsdam (Germany); Xu, Zhen-Ming [Nankai University, School of Physics, Tianjin (China)

    2016-11-15

    We explore thermodynamic properties of a new class of Horndeski black holes whose action contains a non-minimal kinetic coupling of a massless real scalar and the Einstein tensor. Our treatment is based on the well-accepted consideration, where the cosmological constant is dealt with as thermodynamic pressure and the mass of black holes as thermodynamic enthalpy. We resort to a newly introduced intensive thermodynamic variable, i.e., the coupling strength of the scalar and tensor whose dimension is length square, and thus yield both the generalized first law of thermodynamics and the generalized Smarr relation. Our result indicates that this class of Horndeski black holes presents rich thermodynamic behaviors and critical phenomena. Especially in the case of the presence of an electric field, these black holes undergo two phase transitions. Once the charge parameter exceeds its critical value, or the cosmological parameter does not exceed its critical value, no phase transitions happen and the black holes are stable. As a by-product, we point out, the coupling strength acts as the thermodynamic pressure in thermodynamics. (orig.)

  15. Thermodynamics of Horndeski black holes with non-minimal derivative coupling

    International Nuclear Information System (INIS)

    Miao, Yan-Gang; Xu, Zhen-Ming

    2016-01-01

    We explore thermodynamic properties of a new class of Horndeski black holes whose action contains a non-minimal kinetic coupling of a massless real scalar and the Einstein tensor. Our treatment is based on the well-accepted consideration, where the cosmological constant is dealt with as thermodynamic pressure and the mass of black holes as thermodynamic enthalpy. We resort to a newly introduced intensive thermodynamic variable, i.e., the coupling strength of the scalar and tensor whose dimension is length square, and thus yield both the generalized first law of thermodynamics and the generalized Smarr relation. Our result indicates that this class of Horndeski black holes presents rich thermodynamic behaviors and critical phenomena. Especially in the case of the presence of an electric field, these black holes undergo two phase transitions. Once the charge parameter exceeds its critical value, or the cosmological parameter does not exceed its critical value, no phase transitions happen and the black holes are stable. As a by-product, we point out, the coupling strength acts as the thermodynamic pressure in thermodynamics. (orig.)

  16. Thermodynamics of various F420 coenzyme models as sources of electrons, hydride ions, hydrogen atoms and protons in acetonitrile.

    Science.gov (United States)

    Xia, Ke; Shen, Guang-Bin; Zhu, Xiao-Qing

    2015-06-14

    32 F420 coenzyme models with alkylation of the three different N atoms (N1, N3 and N10) in the core structure (XFH(-)) were designed and synthesized and the thermodynamic driving forces (defined in terms of the molar enthalpy changes or the standard redox potentials in this work) of the 32 XFH(-) releasing hydride ions, hydrogen atoms and electrons, the thermodynamic driving forces of the 32 XFH˙ releasing protons and hydrogen atoms and the thermodynamic driving forces of XF(-)˙ releasing electrons in acetonitrile were determined using titration calorimetry and electrochemical methods. The effects of the methyl group at N1, N3 and N10 and a negative charge on N1 and N10 atoms on the six thermodynamic driving forces of the F420 coenzyme models and their related reaction intermediates were examined; the results show that seating arrangements of the methyl group and the negative charge have remarkably different effects on the thermodynamic properties of the F420 coenzyme models and their related reaction intermediates. The effects of the substituents at C7 and C8 on the six thermodynamic driving forces of the F420 coenzyme models and their related reaction intermediates were also examined; the results show that the substituents at C7 and C8 have good Hammett linear free energy relationships with the six thermodynamic parameters. Meanwhile, a reasonable determination of possible reactions between members of the F420 family and NADH family in vivo was given according to a thermodynamic analysis platform constructed using the elementary step thermodynamic parameter of F420 coenzyme model 2FH(-) and NADH model MNAH releasing hydride ions in acetonitrile. The information disclosed in this work can not only fill a gap in the chemical thermodynamics of F420 coenzyme models as a class of very important organic sources of electrons, hydride ions, hydrogen atoms and protons, but also strongly promote the fast development of the chemistry and applications of F420 coenzyme.

  17. Reduction of undesired lateral forces acting on the flapper of a flapper–nozzle pilot valve by using an innovative flapper shape

    International Nuclear Information System (INIS)

    Zhang, Shengzhuo; Aung, Nay Zar; Li, Songjing

    2015-01-01

    Highlights: • The simulated flow rate and main flow force show a good agreement with experiments. • The innovative flapper has little influence on the flow-pressure characteristics. • The innovative flapper can greatly reduce the Y direction force on the upper part. • The innovative flapper reduces both the X and Z direction forces on the lower part. - Abstract: The stability and dynamic performance of a flapper–nozzle pilot valve significantly depend on the flow forces acting on the flapper. Due to the shape of the flapper and flow structure in the flapper–nozzle pilot valve there are undesired lateral forces acting on the flapper, which are very potential to interfere with the stability of the flapper. Aiming to reduce these undesired lateral forces, an innovative flapper shape is proposed and a comparative study of flow forces acting on the two different flapper shapes is conducted. A simple rectangle shape is selected as the innovative flapper shape. The flow forces acting on the traditional flapper shape and innovative flapper shape are evaluated by means of CFD (Computational Fluid Dynamics) simulations and verified with the results from the semi-experimental approach. The evaluation of the flow forces is performed for each flapper shape with two different flapper–nozzle clearances of 0.10 mm and 0.05 mm under seven different flow conditions with the variation of inlet pressures from 1 MPa to 7 MPa. A good agreement between CFD results and semi-experimental results shows that the proposed innovative flapper shape has no effect on flow control characteristics since it is giving approximately the same flow rate and main flow force as the traditional flapper shape at every flow condition. Meanwhile the innovative flapper shape effectively reduces the undesired lateral forces acting on the flapper by altering the flow structure and reducing the strength of the jet flow and cavitation occurred in the flow field of flapper–nozzle pilot valve. At the

  18. 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.

  19. The impact force acting on a flat plate exposed normally to a rarefied plasma plume issuing from an annular or circular nozzle

    Energy Technology Data Exchange (ETDEWEB)

    Chen Xi, E-mail: cx-dem@mail.tsinghua.edu.c [Department of Engineering Mechanics, Tsinghua University, Beijing 100084 (China)

    2010-08-11

    With the indirect thrust measurement of electric thrusters working at a low vacuum chamber pressure as the research background, this paper analyses the impact force acting on a flat plate exposed normally to a rarefied plasma plume issuing from a thruster with an annular or circular exit section for the free-molecule flow regime (at large Knudsen numbers). The constraint relation proposed by Cai and Boyd (2007 J. Spacecr. Rockets 44 619, 1326) about the velocity components of gas particles leaving a location on the nozzle exit section and arriving at a given spatial point outside the nozzle has been employed here to derive the analytical expressions for calculating the impact force. Sample calculation results show that if the flat plate is sufficiently large, the impact force acting on the flat plate calculated for the case without accounting for gas particle reflection at the plate surface agrees well with the axial momentum flux calculated at the thruster exit or the theoretical thrust force of the studied thruster, while accounting for the contribution of gas particles reflected from the plate surface to the impact force production may significantly increase the calculated impact force acting on the flat plate. For a Hall-effect thruster in which the thrust force is dominantly produced by the ions with high directional kinetic energy and the ions are not directly reflected from the plate surface, the contribution to the impact force production of atom species and of gas particles reflected from the plate surface is negligibly small and thus the measured axial impact force acting on a sufficiently large plate can well represent the thrust force of the thruster. On the other hand, if the contribution of the gas particles reflected from the plate surface to the impact force production cannot be neglected (e.g. for the electric thrusters with comparatively low thruster exit temperatures), appreciable error would appear in the indirect thrust measurement.

  20. Modeling of Aerodynamic Force Acting in Tunnel for Analysis of Riding Comfort in a Train

    Science.gov (United States)

    Kikko, Satoshi; Tanifuji, Katsuya; Sakanoue, Kei; Nanba, Kouichiro

    In this paper, we aimed to model the aerodynamic force that acts on a train running at high speed in a tunnel. An analytical model of the aerodynamic force is developed from pressure data measured on car-body sides of a test train running at the maximum revenue operation speed. The simulation of an 8-car train running while being subjected to the modeled aerodynamic force gives the following results. The simulated car-body vibration corresponds to the actual vibration both qualitatively and quantitatively for the cars at the rear of the train. The separation of the airflow at the tail-end of the train increases the yawing vibration of the tail-end car while it has little effect on the car-body vibration of the adjoining car. Also, the effect of the moving velocity of the aerodynamic force on the car-body vibration is clarified that the simulation under the assumption of a stationary aerodynamic force can markedly increase the car-body vibration.

  1. How statistical forces depend on thermodynamics and kinetics of driven media

    Czech Academy of Sciences Publication Activity Database

    Basu, U.; Maes, C.; Netočný, Karel

    2015-01-01

    Roč. 114, č. 25 (2015), "250601-1"-"250601-5" ISSN 0031-9007 Institutional support: RVO:68378271 Keywords : stochastic thermodynamics * nonequilibrium steady states * active matter Subject RIV: BE - Theoretical Physics Impact factor: 7.645, year: 2015

  2. A thermodynamic model of sliding friction

    Directory of Open Access Journals (Sweden)

    Lasse Makkonen

    2012-03-01

    Full Text Available A first principles thermodynamic model of sliding friction is derived. The model predictions are in agreement with the observed friction laws both in macro- and nanoscale. When applied to calculating the friction coefficient the model provides a quantitative agreement with recent atomic force microscopy measurements on a number of materials.

  3. 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.

  4. Thermodynamic and energy saving benefits of hydraulic free-piston engines

    International Nuclear Information System (INIS)

    Zhao, Zhenfeng; Wang, Shan; Zhang, Shuanlu; Zhang, Fujun

    2016-01-01

    The hydraulic free-piston engine integrates the internal combustion engine with a hydraulic pump. The piston of an HFPE is not connected to the crankshaft and the piston movement is determined by the forces that act upon it. These features optimize combustion and make higher power density and efficiency increase. In this paper, a detailed thermodynamic and energy saving analysis is performed to demonstrate the fundamental efficiency advantage of an HFPE. The thermodynamic results show that the combustion process can be optimized to an ideal engine cycle. The experimental results show that the HFPE combustion process is a nearly constant-volume process; the efficiency is approximately 50%; the piston displacement and velocity curves for a cycle are the same at any frequency, even at a 1.25 Hz. The maximum velocities are of the same value at high or low frequencies. Similarly, pump output flow is not influenced by frequency. The independent cyclic characteristics of HFPE determine that it should work in higher frequencies when the vehicle runs in Japanese 10–15 road conditions. It indicates that a higher working frequency will lead to the starting frequency of HFPE, and a lower frequency will decrease the pressurized pressure of the hydraulic accumulator. - Highlights: • The thermodynamic and energy saving benefits of the HFPEs was investigated. • The approach of combustion optimization was obtained by adjusting the injection timing and compression ratio. • The high efficiency area of HFPE was given as a function of injection timing and compression pressure. • The maximum efficiency of HFPE of 50% was obtained from the prototype. • The method of energy saving with adjusting the piston frequency was examined.

  5. Constitution and thermodynamics of Pt-La alloys

    International Nuclear Information System (INIS)

    Reimann, S.; Schaller, H.-J.

    2006-01-01

    A complete set of thermodynamic functions was determined for the Pt-La system from electromotive force measurements on galvanic cells in the temperature range from 923 to 1073 K using CaF 2 single crystals as solid electrolytes. The phases on the platinum-rich side show pronounced negative deviations from ideal mixing behaviour; at 1073 K and infinite dilution, for instance, the relative partial excess Gibbs energy of La was determined to be -315 kJ/mol. Two effects are discussed to account for the deviations from ideal mixing behaviour: the transfer of the valence electrons of La to the electron gas of the alloy and the lattice distortion brought about by the size difference of the components. The phase relations were investigated by means of thermal, and X-ray analyses. The thermodynamic description of the system was optimized using experimental data from the present thermodynamic and phase diagram work. The calculated thermodynamic functions as well as the calculated phase diagram turned out to be in excellent accordance with the experimental results

  6. Keeping Earth at work: Using thermodynamics to develop a holistic theory of the Earth system

    Science.gov (United States)

    Kleidon, Axel

    2010-05-01

    The Earth system is unique among terrestrial planets in that it is maintained in a state far from thermodynamic equilibrium. Practically all processes are irreversible in their nature, thereby producing entropy, and these would act to destroy this state of disequilibrium. In order to maintain disequilibrium in steady state, driving forces are required that perform the work to maintain the Earth system in a state far from equilibrium. To characterize the functioning of the Earth system and the interactions among its subsystems we need to consider all terms of the first and second law of thermodynamics. While the global energy balance is well established in climatology, the global entropy and work balances receive little, if any, attention. Here I will present first steps in developing a holistic theory of the Earth system including quantifications of the relevant terms that is based on the first and second laws of thermodynamics. This theory allows us to compare the significance of different processes in driving and maintaining disequilibrium, allows us to explore interactions by investigating the role of power transfer among processes, and specifically illustrate the significance of life in driving planetary disequilibrium. Furthermore, the global work balance demonstrates the significant impact of human activity and it provides an estimate for the availability of renewable sources of free energy within the Earth system. Hence, I conclude that a holistic thermodynamic theory of the Earth system is not just some academic exercise of marginal use, but essential for a profound understanding of the Earth system and its response to change.

  7. Effect of attractive interactions between polymers on the effective force acting between colloids immersed in a polymer system: Analytic liquid-state theory.

    Science.gov (United States)

    Chervanyov, A I

    2016-12-28

    By making use of the polymer reference interaction site model, we analytically study the effect of attractive interactions between polymers on the effective forces acting between colloids immersed in a polymer system. The performed theoretical analysis has no restrictions with respect to the polymer density and relative sizes of the colloids and polymers. The polymer mediated (PM) potential acting between colloids is shown to significantly depend on the strength and range of the polymer-polymer interactions. In the nano-particle limit, where the colloid radius is much smaller than the polymer gyration radius, the presence of attractive polymer-polymer interactions causes only quantitative changes to the PM potential. In the opposite limit of relatively large colloids, the polymer-polymer interactions revert the sign of the total effective force acting between colloids so that this force becomes attractive at sufficiently large polymer densities. With the objective to study an intricate interplay between the attractive PM forces and steric repulsion in different polymer density regimes, we calculate the second virial coefficient B of the total effective potential acting between colloids. The dependence of B on the polymer density is discussed in detail, revealing several novel features of the PM interactions caused by the presence of attractive polymer-polymer interactions.

  8. Influence of tire inflating pressure at dynamic forces acting on articulated trolleybus

    Directory of Open Access Journals (Sweden)

    Polach Pavel

    2017-01-01

    Full Text Available ŠKODA VÝZKUM s.r.o. cooperated on the development of the NEOPLAN DMA low-floor articulated trolleybus intended for the Boston city. Multibody models and finite element models of the trolleybus were utilized in the stage of the vehicle design. At the end of the stage of computer modelling and testing of the trolleybus prototype a decision to reduce tire inflating of vehicles in serial production (together with the change the type of shock absorbers used in trolleybus suspension was made. The impact of this change on forces acting in the trolleybus suspension elements (i.e. in air springs and shock absorbers and radius rods on the trolleybus chassis when running on an uneven test track was investigated using multibody simulations. Time histories of the forces calculated utilising multibody models were used as input data of the trolleybus finite element models.

  9. General stability of memory-type thermoelastic Timoshenko beam acting on shear force

    Science.gov (United States)

    Apalara, Tijani A.

    2018-03-01

    In this paper, we consider a linear thermoelastic Timoshenko system with memory effects where the thermoelastic coupling is acting on shear force under Neumann-Dirichlet-Dirichlet boundary conditions. The same system with fully Dirichlet boundary conditions was considered by Messaoudi and Fareh (Nonlinear Anal TMA 74(18):6895-6906, 2011, Acta Math Sci 33(1):23-40, 2013), but they obtained a general stability result which depends on the speeds of wave propagation. In our case, we obtained a general stability result irrespective of the wave speeds of the system.

  10. The critical roles of information and nonequilibrium thermodynamics in evolution of living systems.

    Science.gov (United States)

    Gatenby, Robert A; Frieden, B Roy

    2013-04-01

    Living cells are spatially bounded, low entropy systems that, although far from thermodynamic equilibrium, have persisted for billions of years. Schrödinger, Prigogine, and others explored the physical principles of living systems primarily in terms of the thermodynamics of order, energy, and entropy. This provided valuable insights, but not a comprehensive model. We propose the first principles of living systems must include: (1) Information dynamics, which permits conversion of energy to order through synthesis of specific and reproducible, structurally-ordered components; and (2) Nonequilibrium thermodynamics, which generate Darwinian forces that optimize the system.Living systems are fundamentally unstable because they exist far from thermodynamic equilibrium, but this apparently precarious state allows critical response that includes: (1) Feedback so that loss of order due to environmental perturbations generate information that initiates a corresponding response to restore baseline state. (2) Death due to a return to thermodynamic equilibrium to rapidly eliminate systems that cannot maintain order in local conditions. (3) Mitosis that rewards very successful systems, even when they attain order that is too high to be sustainable by environmental energy, by dividing so that each daughter cell has a much smaller energy requirement. Thus, nonequilibrium thermodynamics are ultimately responsible for Darwinian forces that optimize system dynamics, conferring robustness sufficient to allow continuous existence of living systems over billions of years.

  11. Small Systems and Limitations on the Use of Chemical Thermodynamics

    Science.gov (United States)

    Tovbin, Yu. K.

    2018-01-01

    Limitations on using chemical thermodynamics to describe small systems are formulated. These limitations follow from statistical mechanics for equilibrium and nonequilibrium processes and reflect (1) differences between characteristic relaxation times in momentum, energy, and mass transfer in different aggregate states of investigated systems; (2) achievements of statistical mechanics that allow us to determine criteria for the size of smallest region in which thermodynamics can be applied and the scale of the emergence of a new phase, along with criteria for the conditions of violating a local equilibrium. Based on this analysis, the main thermodynamic results are clarified: the phase rule for distorted interfaces, the sense and area of applicability of Gibbs's concept of passive forces, and the artificiality of Kelvin's equation as a result of limitations on the thermodynamic approach to considering small bodies. The wrongness of introducing molecular parameters into thermodynamic derivations, and the activity coefficient for an activated complex into the expression for a reaction rate constant, is demonstrated.

  12. 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.

  13. 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.

  14. Biomolecule-nanoparticle interactions: Elucidation of the thermodynamics by isothermal titration calorimetry.

    Science.gov (United States)

    Huang, Rixiang; Lau, Boris L T

    2016-05-01

    Nanomaterials (NMs) are often exposed to a broad range of biomolecules of different abundances. Biomolecule sorption driven by various interfacial forces determines the surface structure and composition of NMs, subsequently governs their functionality and the reactivity of the adsorbed biomolecules. Isothermal titration calorimetry (ITC) is a nondestructive technique that quantifies thermodynamic parameters through in-situ measurement of the heat absorption or release associated with an interaction. This review highlights the recent applications of ITC in understanding the thermodynamics of interactions between various nanoparticles (NPs) and biomolecules. Different aspects of a typical ITC experiment that are crucial for obtaining accurate and meaningful data, as well as the strengths, weaknesses, and challenges of ITC applications to NP research were discussed. ITC reveals the driving forces behind biomolecule-NP interactions and the effects of the physicochemical properties of both NPs and biomolecules by quantifying the crucial thermodynamics parameters (e.g., binding stoichiometry, ΔH, ΔS, and ΔG). Complimentary techniques would strengthen the interpretation of ITC results for a more holistic understanding of biomolecule-NP interactions. The thermodynamic information revealed by ITC and its complimentary characterizations is important for understanding biomolecule-NP interactions that are fundamental to the biomedical and environmental applications of NMs and their toxicological effects. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Thermodynamic fingerprints of ligand binding to human telomeric G-quadruplexes.

    Science.gov (United States)

    Bončina, Matjaž; Podlipnik, Črtomir; Piantanida, Ivo; Eilmes, Julita; Teulade-Fichou, Marie-Paule; Vesnaver, Gorazd; Lah, Jurij

    2015-12-02

    Thermodynamic studies of ligand binding to human telomere (ht) DNA quadruplexes, as a rule, neglect the involvement of various ht-DNA conformations in the binding process. Therefore, the thermodynamic driving forces and the mechanisms of ht-DNA G-quadruplex-ligand recognition remain poorly understood. In this work we characterize thermodynamically and structurally binding of netropsin (Net), dibenzotetraaza[14]annulene derivatives (DP77, DP78), cationic porphyrin (TMPyP4) and two bisquinolinium ligands (Phen-DC3, 360A-Br) to the ht-DNA fragment (Tel22) AGGG(TTAGGG)3 using isothermal titration calorimetry, CD and fluorescence spectroscopy, gel electrophoresis and molecular modeling. By global thermodynamic analysis of experimental data we show that the driving forces characterized by contributions of specific interactions, changes in solvation and conformation differ significantly for binding of ligands with low quadruplex selectivity over duplexes (Net, DP77, DP78, TMPyP4; KTel22 ≈ KdsDNA). These contributions are in accordance with the observed structural features (changes) and suggest that upon binding Net, DP77, DP78 and TMPyP4 select hybrid-1 and/or hybrid-2 conformation while Phen-DC3 and 360A-Br induce the transition of hybrid-1 and hybrid-2 to the structure with characteristics of antiparallel or hybrid-3 type conformation. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  16. Towards Thermodynamics with Generalized Uncertainty Principle

    International Nuclear Information System (INIS)

    Moussa, Mohamed; Farag Ali, Ahmed

    2014-01-01

    Various frameworks of quantum gravity predict a modification in the Heisenberg uncertainty principle to a so-called generalized uncertainty principle (GUP). Introducing quantum gravity effect makes a considerable change in the density of states inside the volume of the phase space which changes the statistical and thermodynamical properties of any physical system. In this paper we investigate the modification in thermodynamic properties of ideal gases and photon gas. The partition function is calculated and using it we calculated a considerable growth in the thermodynamical functions for these considered systems. The growth may happen due to an additional repulsive force between constitutes of gases which may be due to the existence of GUP, hence predicting a considerable increase in the entropy of the system. Besides, by applying GUP on an ideal gas in a trapped potential, it is found that GUP assumes a minimum measurable value of thermal wavelength of particles which agrees with discrete nature of the space that has been derived in previous studies from the GUP

  17. Physical driving force of actomyosin motility based on the hydration effect.

    Science.gov (United States)

    Suzuki, Makoto; Mogami, George; Ohsugi, Hideyuki; Watanabe, Takahiro; Matubayasi, Nobuyuki

    2017-12-01

    We propose a driving force hypothesis based on previous thermodynamics, kinetics and structural data as well as additional experiments and calculations presented here on water-related phenomena in the actomyosin systems. Although Szent-Györgyi pointed out the importance of water in muscle contraction in 1951, few studies have focused on the water science of muscle because of the difficulty of analyzing hydration properties of the muscle proteins, actin, and myosin. The thermodynamics and energetics of muscle contraction are linked to the water-mediated regulation of protein-ligand and protein-protein interactions along with structural changes in protein molecules. In this study, we assume the following two points: (1) the periodic electric field distribution along an actin filament (F-actin) is unidirectionally modified upon binding of myosin subfragment 1 (M or myosin S1) with ADP and inorganic phosphate Pi (M.ADP.Pi complex) and (2) the solvation free energy of myosin S1 depends on the external electric field strength and the solvation free energy of myosin S1 in close proximity to F-actin can become the potential force to drive myosin S1 along F-actin. The first assumption is supported by integration of experimental reports. The second assumption is supported by model calculations utilizing molecular dynamics (MD) simulation to determine solvation free energies of a small organic molecule and two small proteins. MD simulations utilize the energy representation method (ER) and the roughly proportional relationship between the solvation free energy and the solvent-accessible surface area (SASA) of the protein. The estimated driving force acting on myosin S1 is as high as several piconewtons (pN), which is consistent with the experimentally observed force. © 2017 Wiley Periodicals, Inc.

  18. Thermomagnetic force acting on an ellipsoidal body immersed into a nonuniformly heated magnetic liquid

    International Nuclear Information System (INIS)

    Naletova, V.A.; Kvitantsev, A.S.

    2002-01-01

    A prolate spheroidal body immersed into a nonuniformly heated magnetic liquid in an applied magnetic field has been considered. The expressions for the pressure and velocity of the liquid, temperature and magnetic field have been obtained. The formula for a thermomagnetic force acting on the body has been calculated. It has been shown that the body shape needs to be taken into account when we study the thermomagnetic diffusion of the prolate bodies

  19. Examination of hydrodynamic force acting on a circular cylinder in vortex-induced vibrations in synchronization

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Linwei; Sun, Zhilin [Ocean College, Zhejiang University, Zhoushan, 316021 (China); Chan, Eng-Soon, E-mail: shenlinwei@zju.edu.cn [Department of Civil and Environmental Engineering, National University of Singapore, No. 1 Engineering Drive 2, Singapore 117576 (Singapore)

    2017-04-15

    An immersed boundary method is employed to simulate vortex-induced vibrations (VIV) of a circular cylinder in two dimensions. The Reynolds number is 150, and the cylinder mass ratios of 2 and 10 are considered. The synchronization regions for these two mass ratios are determined by the simulations. It is found that the cycle-averaged added mass is about zero at the reduced velocity of 6.1. The instantaneous frequency, which is obtained by Hilbert transformation of the cylinder oscillating displacement, exhibits an important feature whereby the cylinder oscillation in the VIV synchronization region is modulated with a frequency twice the displacement prevailing frequency. The cylinder displacement could still be well approximated by a sine function with a constant frequency and amplitude. However, the lift force acting on the cylinder cannot be estimated in the same manner. In fact, both the lift force amplitude and frequency are modulated. The suggested expression provides a better approximation of the lift force. Moreover, it reveals that the presence of the higher harmonics in the lift force is the result of the amplitude and frequency modulation. (paper)

  20. Relativistic thermodynamics of Fluids. l

    International Nuclear Information System (INIS)

    Havas, P.; Swenson, R.J.

    1979-01-01

    In 1953, Stueckelberg and Wanders derived the basic laws of relativistic linear nonequilibrium thermodynamics for chemically reacting fluids from the relativistic local conservation laws for energy-momentum and the local laws of production of substances and of nonnegative entropy production by the requirement that the corresponding currents (assumed to depend linearly on the derivatives of the state variables) should not be independent. Generalizing their method, we determine the most general allowed form of the energy-momentum tensor T/sup alphabeta/ and of the corresponding rate of entropy production under the same restriction on the currents. The problem of expressing this rate in terms of thermodynamic forces and fluxes is discussed in detail; it is shown that the number of independent forces is not uniquely determined by the theory, and seven possibilities are explored. A number of possible new cross effects are found, all of which persist in the Newtonian (low-velocity) limit. The treatment of chemical reactions is incorporated into the formalism in a consistent manner, resulting in a derivation of the law for rate of production, and in relating this law to transport processes differently than suggested previously. The Newtonian limit is discussed in detail to establish the physical interpretation of the various terms of T/sup alphabeta/. In this limit, the interpretation hinges on that of the velocity field characterizing the fluid. If it is identified with the average matter velocity following from a consideration of the number densities, the usual local conservation laws of Newtonian nonequilibrium thermodynamics are obtained, including that of mass. However, a slightly different identification allows conversion of mass into energy even in this limit, and thus a macroscopic treatment of nuclear or elementary particle reactions. The relation of our results to previous work is discussed in some detail

  1. A thermodynamic description of quarks at the subquark level

    International Nuclear Information System (INIS)

    Fitzpatrick, G.L.

    1985-01-01

    A thermodynamic basis for the description of quarks at the subquark level is proposed. It is suggested that subquarks are ultrarelativistic objects confined to the quark radius R. Thus they experience accelerations of the order a≅c/sup 2//R. But this means that information excluding horizons (iota) comparable to quark radii R, namely iota≅c/sup 2//a≅R, are present. Such horizons force us to describe quarks, at the subquark level, via thermodynamics. This thermodynamic description must involve unconventional negative energy Rindler vacua, rather than the conventional zero energy Minkowski vacuum. In an average thermodynamic sense, these Rindler vacua cancel excess kinetic energy of the subquarks, thereby removing an objection to theories involving subquarks. In any such theory it is necessary to assign an Unruh temperature T, where kT≅(h/2πc)a≅(hc/2πR), to the subquark matter. The author argues that T must be the temperature of the early universe phase transition (probably first order) at which quarks condensed into hadrons. Thus quarks have a temperature T independent of hadron mass. He shows how quark properties may be derived in the foregoing thermodynamic context

  2. Numerical method for wave forces acting on partially perforated caisson

    Science.gov (United States)

    Jiang, Feng; Tang, Xiao-cheng; Jin, Zhao; Zhang, Li; Chen, Hong-zhou

    2015-04-01

    The perforated caisson is widely applied to practical engineering because of its great advantages in effectively wave energy consumption and cost reduction. The attentions of many scientists were paid to the fluid-structure interaction between wave and perforated caisson studies, but until now, most concerns have been put on theoretical analysis and experimental model set up. In this paper, interaction between the wave and the partial perforated caisson in a 2D numerical wave flume is investigated by means of the renewed SPH algorithm, and the mathematical equations are in the form of SPH numerical approximation based on Navier-Stokes equations. The validity of the SPH mathematical method is examined and the simulated results are compared with the results of theoretical models, meanwhile the complex hydrodynamic characteristics when the water particles flow in or out of a wave absorbing chamber are analyzed and the wave pressure distribution of the perforated caisson is also addressed here. The relationship between the ratio of total horizontal force acting on caisson under regular waves and its influence factors is examined. The data show that the numerical calculation of the ratio of total horizontal force meets the empirical regression equation very well. The simulations of SPH about the wave nonlinearity and breaking are briefly depicted in the paper, suggesting that the advantages and great potentiality of the SPH method is significant compared with traditional methods.

  3. The Use of VMD Data/Model to Test Different Thermodynamic Models for Vapour-Liquid Equilibrium

    DEFF Research Database (Denmark)

    Abildskov, Jens; Azquierdo-Gil, M.A.; Jonsson, Gunnar Eigil

    2004-01-01

    Vacuum membrane distillation (VMD) has been studied as a separation process to remove volatile organic compounds from aqueous streams. A vapour pressure difference across a microporous hydrophobic membrane is the driving force for the mass transport through the membrane pores (this transport take...... place in vapour phase). The vapour pressure difference is obtained in VMD processes by applying a vacuum on one side of the membrane. The membrane acts as a mere support for the liquid-vapour equilibrium. The evaporation of the liquid stream takes place on the feed side of the membrane...... values; membrane type: PTFE/PP/PVDF; feed flow rate; feed temperature. A comparison is made between different thermodynamic models for calculating the vapour-liquid equilibrium at the membrane/pore interface. (C) 2004 Elsevier B.V. All rights reserved....

  4. Thermodynamic stability of elementary chemical reactions proceeding at finite rates revisited using Lyapunov function analysis

    International Nuclear Information System (INIS)

    Burande, Chandrakant S.; Bhalekar, Anil A.

    2005-01-01

    The thermodynamic stability of a few representative elementary chemical reactions proceeding at finite rates has been investigated using the recently proposed thermodynamic Lyapunov function and following the steps of Lyapunov's second method (also termed as the direct method) of stability of motion. The thermodynamic Lyapunov function; L s , used herein is the excess rate of entropy production in the thermodynamic perturbation space, which thereby inherits the dictates of the second law of thermodynamics. This Lyapunov function is not the same as the excess entropy rate that one encounters in thermodynamic (irreversible) literature. The model chemical conversions studied in this presentation are A+B→v x X and A+B↔ν x X. For the sake of simplicity, the thermal effects of chemical reactions have been considered as not adding to the perturbation as our main aim was to demonstrate how one should use systematically the proposed thermodynamic Lyapunov function following the steps of Lyapunov's second method of stability of motion. The domains of thermodynamic stability under the constantly acting small disturbances, thermodynamic asymptotic stability and thermodynamic instability in these model systems get established

  5. 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

  6. Theory of analogous force on number sets

    Energy Technology Data Exchange (ETDEWEB)

    Canessa, Enrique [Abdus Salam International Centre for Theoretical Physics, Trieste (Italy)

    2003-08-01

    A general statistical thermodynamic theory that considers given sequences of x-integers to play the role of particles of known type in an isolated elastic system is proposed. By also considering some explicit discrete probability distributions p{sub x} for natural numbers, we claim that they lead to a better understanding of probabilistic laws associated with number theory. Sequences of numbers are treated as the size measure of finite sets. By considering p{sub x} to describe complex phenomena, the theory leads to derive a distinct analogous force f{sub x} on number sets proportional to ({partial_derivative}p{sub x}/{partial_derivative}x){sub T} at an analogous system temperature T. In particular, this yields to an understanding of the uneven distribution of integers of random sets in terms of analogous scale invariance and a screened inverse square force acting on the significant digits. The theory also allows to establish recursion relations to predict sequences of Fibonacci numbers and to give an answer to the interesting theoretical question of the appearance of the Benford's law in Fibonacci numbers. A possible relevance to prime numbers is also analyzed. (author)

  7. 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.

  8. 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.

  9. Interfacial solvation thermodynamics

    International Nuclear Information System (INIS)

    Ben-Amotz, Dor

    2016-01-01

    Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air–water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory and other physically motivated approximations. The results highlight both exact and approximate compensation relations pertaining to direct (solute–solvent) and indirect (solvent–solvent) contributions to adsorption thermodynamics, of relevance to solvation at air–water interfaces, as well as a broader class of processes linked to the mean force potential between ions, molecules, nanoparticles, proteins, and biological assemblies. (paper)

  10. Thermodynamic analysis of a gas turbine cycle equipped with a non-ideal adiabatic model for a double acting Stirling engine

    International Nuclear Information System (INIS)

    Korlu, Mahmood; Pirkandi, Jamasb; Maroufi, Arman

    2017-01-01

    Highlights: • A gas turbine cycle equipped with a double acting Stirling engine is proposed. • The hybrid cycle effects, efficiency and power outputs are investigated. • The energy dissipation, the net enthalpy loss and wall heat leakage are considered. • The hybrid cycle improves the efficiency from 23.6 to 38.8%. - Abstract: The aim of this study is to investigate the thermodynamic performance of a gas turbine cycle equipped with a double acting Stirling engine. A portion of gas turbine exhaust gases are allocated to providing the heat required for the Stirling engine. Employing this hybrid cycle improves gas turbine performance and power generation. The double acting Stirling engine is used in this study and the non-ideal adiabatic model is used to numerical solution. The regenerator’s net enthalpy loss, the regenerator’s wall heat leakage, the energy dissipation caused by pressure drops in heat exchangers and regenerator are the losses that were taken into account for the Stirling engine. The hybrid cycle, gas turbine governing equations and Stirling engine analyses are carried out using the Matlab software. The pressure ratio of the compressor, the inlet temperature of turbine, the porosity, length and diameter of the regenerator were chosen as essential parameters in this article. Also the hybrid cycle effects, efficiency and power outputs are investigated. The results show that the hybrid gas turbine and Stirling engine improves the efficiency from 23.6 to 38.8%.

  11. 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.

  12. Limitations and Functions: Four Examples of Integrating Thermodynamics

    Science.gov (United States)

    Chang, Wheijen

    2011-01-01

    Physics students are usually unaware of the limitations and functions of related principles, and they tend to adopt "hot formulas" inappropriately. This paper introduces four real-life examples for bridging five principles, from fluids to thermodynamics, including (1) buoyant force, (2) thermal expansion, (3) the ideal-gas law, (4) the 1st law,…

  13. Lewis basicity, adhesion thermodynamic work and coordinating ability on aminated silicon surfaces

    International Nuclear Information System (INIS)

    Sánchez, M. Alejandra; Paniagua, Sergio A.; Borge, Ignacio; Viales, Christian; Montero, Mavis L.

    2014-01-01

    Highlights: • Silicon(1 0 0) surfaces with diamines followed by anchoring of copper complexes over the diamine layer, an approach that could be used for advanced functionalization of semiconducting surfaces. • Lewis basicity (using Fowkes–van Oss–Chaudhury–Good surface tension model) and adhesion thermodynamic work (using chemical force microscopy) were determined. • Higher basicity and thermodynamic work correlate with selective copper acetate monolayer grow. The cyclic voltammetry studies confirm the confined copper redox activity. - Abstract: Silicon(1 0 0) surfaces have been modified with three different amines (aniline, benzylamine and dodecylamine) and diamines (4-aminopyridine, 4-aminomethylpyridine, 1,12-dodecyldiamine). The surface energy was measured by contact angle technique. For Si-diamine surfaces, Lewis basicity (using Fowkes–van Oss–Chaudhury–Good surface tension model) and adhesion thermodynamic work (using chemical force microscopy) were determined. We related these data, the amine/diamine nature and their geometry on the surface (via DFT calculations) with the consequent ability to coordinate copper(II) acetate. Finally, copper(II) acetate monolayers behavior was studied by cyclic voltammetry

  14. Experimental study on the estimation method of hydrodynamic force acting on floating offshore structures; Futaishiki kaiyo kozobutsu ni kuwawaru ryutairyoku no suiteiho ni kansuru jikkenteki kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    Hoshino, K; Kato, S [Ship Research Inst., Tokyo (Japan); Koterayama, W [Kyushu Univ., Fukuoka (Japan). Research Inst. for Applied Mechanics

    1996-04-10

    In the design of various floating offshore structures (FOS), the functionality, safety and amenity of FOSs were examined by estimating responses of FOSs to environmental external forces such as wave, wind and flow. In this paper, the estimation method of drag acting on the whole FOS was established by combining previous study results on hydrodynamic force acting on various bodies such as Reynolds number effect (RNE), 3-D effect (TDE) and interference effect (IE). This hydrodynamic force was also compared with that obtained from the experiment result on a FOS model for TLP to confirm the applicability of this estimation method. The estimation result on the drag coefficient in steady flow by considering RNE, TDE and IE well agreed with experimental one. The drag coefficient acting on FOSs in heaving could be estimated in practically sufficient accuracy by considering drag acting on not columns but only square columns. The estimation result on the drag coefficient acting on FOSs in surging by considering RNE, TDE and IE well agreed with experimental one. 12 refs., 10 figs., 1 tab.

  15. 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

  16. Neutral forces acting on intragenomic variability shape the Escherichia coli regulatory network topology.

    Science.gov (United States)

    Ruths, Troy; Nakhleh, Luay

    2013-05-07

    Cis-regulatory networks (CRNs) play a central role in cellular decision making. Like every other biological system, CRNs undergo evolution, which shapes their properties by a combination of adaptive and nonadaptive evolutionary forces. Teasing apart these forces is an important step toward functional analyses of the different components of CRNs, designing regulatory perturbation experiments, and constructing synthetic networks. Although tests of neutrality and selection based on molecular sequence data exist, no such tests are currently available based on CRNs. In this work, we present a unique genotype model of CRNs that is grounded in a genomic context and demonstrate its use in identifying portions of the CRN with properties explainable by neutral evolutionary forces at the system, subsystem, and operon levels. We leverage our model against experimentally derived data from Escherichia coli. The results of this analysis show statistically significant and substantial neutral trends in properties previously identified as adaptive in origin--degree distribution, clustering coefficient, and motifs--within the E. coli CRN. Our model captures the tightly coupled genome-interactome of an organism and enables analyses of how evolutionary events acting at the genome level, such as mutation, and at the population level, such as genetic drift, give rise to neutral patterns that we can quantify in CRNs.

  17. 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.

  18. Thermodynamics of inclusion complexes of natural and modified cyclodextrins with acetylsalicylic acid and ibuprofen in aqueous solution at 298 K

    Energy Technology Data Exchange (ETDEWEB)

    Castronuovo, Giuseppina, E-mail: giuseppina.castronuovo@unina.it [Department of Chemistry, University Federico II of Naples, Complesso Universitario a Monte S. Angelo, via Cintia, 80126 Naples (Italy); Niccoli, Marcella [Department of Chemistry, University Federico II of Naples, Complesso Universitario a Monte S. Angelo, via Cintia, 80126 Naples (Italy)

    2013-04-10

    Graphical abstract: Complexation forces acting in the association between natural and modified α- and β-cyclodextrins and acetylsalicylic acid (aspirin) or ibuprofen are examined through the analysis of the thermodynamic parameters obtained by isothermal calorimetry. Highlights: ► A calorimetric method is reported to study the association of natural and substituted cyclodextrins with acetylsalicylic acid and ibuprofen. ► The study aims to propose a hypothesis about the forces involved in the interaction. That can be useful for designing new cyclodextrins having suitable characteristics to include specific drugs. ► Enthalpic and entropic contributions on the association are discussed. The differences in the cavity dimensions of the cyclodextrins determine the values of the thermodynamic properties to be very different. - Abstract: Thermodynamic parameters for the association of natural and substituted α-, β-, and γ-cyclodextrins with acetylsalicylic acid, salicylic acid and ibuprofen have been determined by isothermal titration calorimetry. Analysis of the data shows that complexes form, all having 1:1 stoichiometry. The shape-matching between the host and guest is the factor determining the values of the thermodynamic quantities. In the case of the smallest cyclodextrin interacting with acetylsalicylic acid and salicylic acid, the parameters indicate that hydrophobic interactions play the major role. Association occurs through the shallow inclusion of the benzene ring into the cavity. In the case of substituted β-cyclodextrins, instead, inclusion of the benzene ring is deeper and the tight fitting of the guest molecule to the cavity makes the enthalpy and entropy to be both negative. Ibuprofen interacts through its isobutyl group: the values of the association constants are very high for β-cyclodextrins as determined by the large and positive entropies due to the relaxation of water molecules from the cavity and the hydration spheres of the interacting

  19. Thermodynamics of inclusion complexes of natural and modified cyclodextrins with acetylsalicylic acid and ibuprofen in aqueous solution at 298 K

    International Nuclear Information System (INIS)

    Castronuovo, Giuseppina; Niccoli, Marcella

    2013-01-01

    Graphical abstract: Complexation forces acting in the association between natural and modified α- and β-cyclodextrins and acetylsalicylic acid (aspirin) or ibuprofen are examined through the analysis of the thermodynamic parameters obtained by isothermal calorimetry. Highlights: ► A calorimetric method is reported to study the association of natural and substituted cyclodextrins with acetylsalicylic acid and ibuprofen. ► The study aims to propose a hypothesis about the forces involved in the interaction. That can be useful for designing new cyclodextrins having suitable characteristics to include specific drugs. ► Enthalpic and entropic contributions on the association are discussed. The differences in the cavity dimensions of the cyclodextrins determine the values of the thermodynamic properties to be very different. - Abstract: Thermodynamic parameters for the association of natural and substituted α-, β-, and γ-cyclodextrins with acetylsalicylic acid, salicylic acid and ibuprofen have been determined by isothermal titration calorimetry. Analysis of the data shows that complexes form, all having 1:1 stoichiometry. The shape-matching between the host and guest is the factor determining the values of the thermodynamic quantities. In the case of the smallest cyclodextrin interacting with acetylsalicylic acid and salicylic acid, the parameters indicate that hydrophobic interactions play the major role. Association occurs through the shallow inclusion of the benzene ring into the cavity. In the case of substituted β-cyclodextrins, instead, inclusion of the benzene ring is deeper and the tight fitting of the guest molecule to the cavity makes the enthalpy and entropy to be both negative. Ibuprofen interacts through its isobutyl group: the values of the association constants are very high for β-cyclodextrins as determined by the large and positive entropies due to the relaxation of water molecules from the cavity and the hydration spheres of the interacting

  20. Application of mathematical experimental planning in the investigation of thermodynamic properties of three- component alloys

    International Nuclear Information System (INIS)

    Sokolovskaya, E.M.; Guzej, L.S.; Tikhankin, G.A.; Meshkov, L.L.

    1977-01-01

    Thermodynamic properties of solid solutions of niobium and tungsten in nickel have been investigated by the method of electromotive forces with the use of simplex-matrix experiment planning techniques. The planning matrix and the results of investigating the thermodynamic properties of alloys of the nickel-niobium-tungsten system at 1250 deg are presented. The application of experiment planning has made it possible to obtain sufficient information concerning the thermodynamics of solid solutions of niobium and tungsten in nickel from the experimental data for six ternary alloys only

  1. Studies on Pidotimod Enantiomers With Chiralpak-IA: Crystal Structure, Thermodynamic Parameters and Molecular Docking.

    Science.gov (United States)

    Dou, Xiaorui; Su, Xin; Wang, Yue; Chen, Yadong; Shen, Weiyang

    2015-11-01

    Pidotimod, a synthetic dipeptide, has two chiral centers with biological and immunological activity. Its enantiomers were characterized by x-ray crystallographic analysis. A chiral stationary phase (CSP) Chiralpak-IA based on amylose derivatized with tris-(3, 5-dimethylphenyl carbamate) was used to separate pidotimod enantiomers. The mobile phase was prepared in a ratio of 35:65:0.2 of methyl-tert-butyl-ether and acetonitrile trifluoroaceticacid. In addition, thermodynamics and molecular docking methods were used to explain the enantioseparation mechanism by Chiralpak-IA. Thermodynamic studies were carried out from 10 to 45 °C. In general, both retention and enantioselectivity decreased as the temperature increased. Thermodynamic parameters indicate that the interaction force between the pidotimod enantiomer (4S, 2'R) and IA CSP is stronger and their complex model is more stable. According to GOLD molecular docking simulation, Van der Waals force is the leading cause of pidotimod enantiomers separation by IA CSP. © 2015 Wiley Periodicals, Inc.

  2. 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

  3. 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.

  4. 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

  5. Act No. 732 of December 7, 1988. Act to amend the Act on civil liability for nuclear damage

    International Nuclear Information System (INIS)

    1988-01-01

    This Act amends Act No. 332 of June 19, 1974 on civil liability for nuclear damage, enabling Denmark to ratify the 1982 Protocols to amend the Paris Convention and the Brussels Supplementary Convention as well as the 1988 Joint Protocol relating to the application of the Vienna and the Paris Convention. The 1988 Act raises the nuclear operator's liability from 75 million DKr to 60 million SDRs while cover involving State funds is raised from 120 million units of account to 300 million SDRs. The Act entered into force on July 1, 1989 except for the provision on State funds which becomes effective when the 1982 Protocol amending the Brussels Convention comes into force. (NEA) [fr

  6. Unsteady hydrodynamic forces acting on a hand and its flow field during sculling motion.

    Science.gov (United States)

    Takagi, Hideki; Shimada, Shohei; Miwa, Takahiro; Kudo, Shigetada; Sanders, Ross; Matsuuchi, Kazuo

    2014-12-01

    The goal of this research is to clarify the mechanism by which unsteady forces are generated during sculling by a skilled swimmer and thereby to contribute to improving propulsive techniques. We used particle image velocimetry (PIV) to acquire data on the kinematics of the hand during sculling, such as fluid forces and flow field. By investigating the correlations between these data, we expected to find a new propulsion mechanism. The experiment was performed in a flow-controlled water channel. The participant executed sculling motions to remain at a fixed position despite constant water flow. PIV was used to visualize the flow-field cross-section in the plane of hand motion. Moreover, the fluid forces acting on the hand were estimated from pressure distribution measurements performed on the hand and simultaneous three-dimensional motion analysis. By executing the sculling motion, a skilled swimmer produces large unsteady fluid forces when the leading-edge vortex occurs on the dorsal side of the hand and wake capture occurs on the palm side. By using a new approach, we observed interesting unsteady fluid phenomena similar to those of flying insects. The study indicates that it is essential for swimmers to fully exploit vortices. A better understanding of these phenomena might lead to an improvement in sculling techniques. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Fluid dynamic forces acting on a circular tube bundle in cross flow. Proposals of generation condition of vortex-induced vibration and correlation equation of turbulence-induced exciting force

    International Nuclear Information System (INIS)

    Inada, Fumio; Yoneda, Kimitoshi; Yasuo, Akira; Nishihara, Takashi

    2000-01-01

    In the circular tube bundle immersed in the crossflow, the exciting force induced by the turbulence and periodically discharged vortices becomes large, and it is necessary to confirm a long-term integrity to the flow induced vibration. In this report, the local fluid exciting force and the correlation length in the direction of tube axis were measured. The exciting force acting on the first row was smaller than that inside the tube bundle, and the exciting force was almost saturated at the third row. As for vortex induced vibration, there could be an influence when a dimensionless frequency was 0.4 or less. When vortex induced vibration did not affect the vibration, a correlation composed of a correlation length and power spectrum density of the local fluid exciting force were proposed, with which we could estimate the amplitude of the vibration. A computer program to estimate the vibration amplitude and maximum stress was made using the flow velocity distribution and the mode of vibration. (author)

  8. Identification of impact force acting on composite laminated plates using the radiated sound measured with microphones

    Science.gov (United States)

    Atobe, Satoshi; Nonami, Shunsuke; Hu, Ning; Fukunaga, Hisao

    2017-09-01

    Foreign object impact events are serious threats to composite laminates because impact damage leads to significant degradation of the mechanical properties of the structure. Identification of the location and force history of the impact that was applied to the structure can provide useful information for assessing the structural integrity. This study proposes a method for identifying impact forces acting on CFRP (carbon fiber reinforced plastic) laminated plates on the basis of the sound radiated from the impacted structure. Identification of the impact location and force history is performed using the sound pressure measured with microphones. To devise a method for identifying the impact location from the difference in the arrival times of the sound wave detected with the microphones, the propagation path of the sound wave from the impacted point to the sensor is examined. For the identification of the force history, an experimentally constructed transfer matrix is employed to relate the force history to the corresponding sound pressure. To verify the validity of the proposed method, impact tests are conducted by using a CFRP cross-ply laminate as the specimen, and an impulse hammer as the impactor. The experimental results confirm the validity of the present method for identifying the impact location from the arrival time of the sound wave detected with the microphones. Moreover, the results of force history identification show the feasibility of identifying the force history accurately from the measured sound pressure using the experimental transfer matrix.

  9. 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

  10. 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)

  11. 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

  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. Fluid-elastic force measurements acting on a tube bundle in two-phase cross flow

    International Nuclear Information System (INIS)

    Inada, Fumio; Kawamura, Koji; Yasuo, Akira

    1996-01-01

    Fluid-elastic force acting on a square tube bundle of P/D = 1.47 in air-water two-phase cross flow was measured to investigate the characteristics and to clarify whether the fluid elastic vibration characteristics could be expressed using two-phase mixture characteristics. Measured fluid elastic forces were separated into fluid-elastic force coefficients such as added mass, added stiffness, and added damping coefficient. The added damping coefficient was separated into a two-phase damping and a flow-dependent component as in previous research (Carlucci, 1981 and 1983; Pettigrew, 1994). These coefficients were nondimensionalized with two-phase mixture characteristics such as void fraction, mixture density and mixture velocity, which were obtained using the drift-flux model with consideration given to the model. The result was compared with the result obtained with the homogeneous model. It was found that fluid-elastic force coefficients could be expressed with two-phase flow mixture characteristics very well in the experimental result, and that better result can be derived using the slip model as compared to the homogeneous model. Added two-phase flow, which could be expressed as a function of void fraction, where two-phase damping was nondimensionalized with the relative velocity between the gas and liquid phases used as a reference velocity. Using these, the added stiffness coefficient and flow-dependent component of damping could be expressed very well as a function of nondimensional mixture velocity

  14. Thermodynamic and kinetic analysis of heterogeneous photocatalysis for semiconductor systems.

    Science.gov (United States)

    Liu, Baoshun; Zhao, Xiujian; Terashima, Chiaki; Fujishima, Akira; Nakata, Kazuya

    2014-05-21

    Since the report of the Honda-Fujishima effect, heterogeneous photocatalysis has attracted much attention around the world because of its potential energy and environmental applications. Although great progresses have been made in recent years, most were focused on preparing highly-active photocatalysts and investigating visible light utilization. In fact, we are still unclear on the thermodynamic and kinetic nature of photocatalysis to date, which sometimes leads to misunderstandings for experimental results. It is timely to give a review and discussion on the thermodynamics and kinetics of photocatalysis, so as to direct future researches. However, there is an absence of a detailed review on this topic until now. In this article, we tried to review and discuss the thermodynamics and kinetics of photocatalysis. We explained the thermodynamic driving force of photocatalysis, and distinguished the functions of light and heat in photocatalysis. The Langmuir-Hinshelwood kinetic model, the ˙OH oxidation mechanism, and the direct-indirect (D-I) kinetic model were reviewed and compared. Some applications of the D-I model to study photocatalytic kinetics were also discussed. The electron transport mode and its importance in photocatalysis were investigated. Finally, the intrinsic relation between the kinetics and the thermodynamics of photocatalytic reactions was discussed.

  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. The nature of motive force

    CERN Document Server

    Pramanick, Achintya Kumar

    2014-01-01

    In this monograph Prof. Pramanick explicates the law of motive force, a fundamental law of nature that can be observed and appreciated as an addition to the existing laws of thermodynamics. This unmistakable and remarkable tendency of nature is equally applicable to all other branches of studies. He first conceptualized the law of motive force in 1989, when he was an undergraduate student. Here he reports various applications of the law in the area of  thermodynamics, heat transfer, fluid mechanics and solid mechanics, and shows how it is possible to solve analytically century-old unsolved problems through its application. This book offers a comprehensive account of the law and its relation to other laws and principles, such as the generalized conservation principle, variational formulation, Fermat’s principle, Bejan’s constructal law, entropy generation minimization, Bejan’s method of intersecting asymptotes and equipartition principle. Furthermore, the author addresses some interrelated fundamental p...

  17. New force replica exchange method and protein folding pathways probed by force-clamp technique.

    Science.gov (United States)

    Kouza, Maksim; Hu, Chin-Kun; Li, Mai Suan

    2008-01-28

    We have developed a new extended replica exchange method to study thermodynamics of a system in the presence of external force. Our idea is based on the exchange between different force replicas to accelerate the equilibrium process. This new approach was applied to obtain the force-temperature phase diagram and other thermodynamical quantities of the three-domain ubiquitin. Using the C(alpha)-Go model and the Langevin dynamics, we have shown that the refolding pathways of single ubiquitin depend on which terminus is fixed. If the N end is fixed then the folding pathways are different compared to the case when both termini are free, but fixing the C terminal does not change them. Surprisingly, we have found that the anchoring terminal does not affect the pathways of individual secondary structures of three-domain ubiquitin, indicating the important role of the multidomain construction. Therefore, force-clamp experiments, in which one end of a protein is kept fixed, can probe the refolding pathways of a single free-end ubiquitin if one uses either the polyubiquitin or a single domain with the C terminus anchored. However, it is shown that anchoring one end does not affect refolding pathways of the titin domain I27, and the force-clamp spectroscopy is always capable to predict folding sequencing of this protein. We have obtained the reasonable estimate for unfolding barrier of ubiquitin, using the microscopic theory for the dependence of unfolding time on the external force. The linkage between residue Lys48 and the C terminal of ubiquitin is found to have the dramatic effect on the location of the transition state along the end-to-end distance reaction coordinate, but the multidomain construction leaves the transition state almost unchanged. We have found that the maximum force in the force-extension profile from constant velocity force pulling simulations depends on temperature nonlinearly. However, for some narrow temperature interval this dependence becomes

  18. Thermodynamic method for generating random stress distributions on an earthquake fault

    Science.gov (United States)

    Barall, Michael; Harris, Ruth A.

    2012-01-01

    This report presents a new method for generating random stress distributions on an earthquake fault, suitable for use as initial conditions in a dynamic rupture simulation. The method employs concepts from thermodynamics and statistical mechanics. A pattern of fault slip is considered to be analogous to a micro-state of a thermodynamic system. The energy of the micro-state is taken to be the elastic energy stored in the surrounding medium. Then, the Boltzmann distribution gives the probability of a given pattern of fault slip and stress. We show how to decompose the system into independent degrees of freedom, which makes it computationally feasible to select a random state. However, due to the equipartition theorem, straightforward application of the Boltzmann distribution leads to a divergence which predicts infinite stress. To avoid equipartition, we show that the finite strength of the fault acts to restrict the possible states of the system. By analyzing a set of earthquake scaling relations, we derive a new formula for the expected power spectral density of the stress distribution, which allows us to construct a computer algorithm free of infinities. We then present a new technique for controlling the extent of the rupture by generating a random stress distribution thousands of times larger than the fault surface, and selecting a portion which, by chance, has a positive stress perturbation of the desired size. Finally, we present a new two-stage nucleation method that combines a small zone of forced rupture with a larger zone of reduced fracture energy.

  19. THERMODYNAMICS OF ETHANOLAMMONIUM CATIONES DISSOCIATION IN AQUEOUS SOLUTIONS

    Directory of Open Access Journals (Sweden)

    R. E. Khoma

    2017-03-01

    Full Text Available The literature data on the thermodynamics of ethanolamines onium cations dissociation have been systematized and generalized. The correlation between these cations dissociation thermodynamic functions (DH and DS and physicochemical properties (Tmp., Tbp, Pp, lgPow et al. has been revealed. There was a correlation between lipophilicity determined experimentally and calculated by QSAR. For monoethanolammonium, diethanolammonium, and their N-methyl and N-ethyl derivatives it was found dissociation thermodynamic functions to depend on bases lgPow. Acid-base dissociation of TRIS and triethanolamine onium cations does not correspond to said relationship because TRIS (primary amine, TEA (tertiary amine act differently on aqueous solutions of SO2. TEA, unlike MEA, DEA and MMEA, has a salting out effect towards sulfur dioxide because of competing hydration that promotes sulfite «onium» salts hydrolysis. TRIS promotes S(IV → S(VI sulphooxidation, in contrast to another ethanolamines. Enthalpy–enthropy compensation with isothermodynamic temperature 303 K has been recorded. The revealed correlations may be useful in developing of procedures for air sanitary cleaning from acidic gases; chemisorbents immobilized for gas and ion exchange chromatography; potentiometric methods for fluorocomplex acids determinations. The use of monoethanolamine is most promising to obtain chemisorbents because the thermodynamic functions of its onium cation acid-base dissociation are least dependent on temperature compared to other etanolammonium cations.

  20. Influence of van-der-Waals like interactions on the thermodynamic Casimir effect; Einfluss van-der-Waals-artiger Wechselwirkungen auf den thermodynamischen Casimir-Effekt

    Energy Technology Data Exchange (ETDEWEB)

    Grueneberg, Daniel

    2008-02-15

    To study how the behavior of the thermodynamic Casimir force changes qualitatively and quantitatively due to the presence of such interactions - compared to systems with purely short-range interactions - is the aim of this work. Considering d-dimensional models belonging to the universality class of the O(n)-symmetrical systems, the thermodynamic Casimir force and its leading corrections are derived for temperatures at and above the transition temperature (T{>=}T{sub c,{infinity}}). The underlying pair potential is assumed to be isotropic and long-ranged, decaying asymptotically proportional to x{sup -(d+{sigma}}{sup )} for large separations x, where the value of the parameter {sigma} is restricted to the interval 2<{sigma}<4. By solving an appropriate spherical model in 2thermodynamic Casimir force and its leading corrections are obtained. To study the case n<{infinity}, which in 2thermodynamic Casimir force and its leading corrections are evaluated to two-loop order. It is shown that both in the spherical model and in the O(n)-symmetrical case with n<{infinity} to two-loop order, the thermodynamic Casimir force in the presence of the long-range interaction decays algebraically {proportional_to}L{sup -(d+{sigma}}{sup )} at fixed temperature T>T{sub c,{infinity}} on sufficiently large length scales. (orig.)

  1. Thermodynamics and Chemistry by Howard DeVoe

    Science.gov (United States)

    Gislason, Eric A.

    2001-09-01

    is obviously true, but I never would have thought of it without the author's help! DeVoe also takes great pains to discuss the subtleties in the definitions of heat and work when frictional forces are present, which of course they are in any real process. (This is a complicated topic, which I have written on myself in this Journal [Gislason, E. A.; Craig, N. C. J. Chem. Educ.1987, 64, 660.]) I was particularly impressed by the appendix entitled "Forces, Energy, and Work", which takes the fundamental principles of classical mechanics, applies them to a collection of particles in a closed system, and derives an expression for thermodynamic work. The author is also very good at giving clear qualitative explanations of thermodynamic concepts. For example, I found his presentation of the second law using Carnot engines (Section 4.2) remarkably understandable. Most thermodynamics books do not present this material as clearly. Similarly I enjoyed reading Section 4.7, "What is the 'Meaning' of Entropy", where he shows how entropy can be thought of both as a "measure of unavailable work" and as a "measure of disorder". A third thing I like very much about this book is that DeVoe shows how important thermodynamic quantities such as temperature are actually measured. A good example of this is the detailed descriptions of measuring heat capacities using either adiabatic calorimeters or isothermal-jacket calorimeters (Section 5.5.2). One of the real highlights of the book is the detailed description of how data from a bomb calorimeter experiment are used to obtain standard molar enthalpies of combustion. The many steps that are needed to go from a temperature change measured in the calorimeter to the desired standard enthalpy are spelled out in detail in Section 8.5.2. Then, to reinforce all of the concepts, there is a 16-part homework problem that worries about such things as the Washburn corrections and uses such data as second virial coefficients, Henry's law constants, and

  2. Temperature of maximum density and excess thermodynamics of aqueous mixtures of methanol

    Energy Technology Data Exchange (ETDEWEB)

    González-Salgado, D.; Zemánková, K. [Departamento de Física Aplicada, Universidad de Vigo, Campus del Agua, Edificio Manuel Martínez-Risco, E-32004 Ourense (Spain); Noya, E. G.; Lomba, E. [Instituto de Química Física Rocasolano, CSIC, Calle Serrano 119, E-28006 Madrid (Spain)

    2016-05-14

    In this work, we present a study of representative excess thermodynamic properties of aqueous mixtures of methanol over the complete concentration range, based on extensive computer simulation calculations. In addition to test various existing united atom model potentials, we have developed a new force-field which accurately reproduces the excess thermodynamics of this system. Moreover, we have paid particular attention to the behavior of the temperature of maximum density (TMD) in dilute methanol mixtures. The presence of a temperature of maximum density is one of the essential anomalies exhibited by water. This anomalous behavior is modified in a non-monotonous fashion by the presence of fully miscible solutes that partly disrupt the hydrogen bond network of water, such as methanol (and other short chain alcohols). In order to obtain a better insight into the phenomenology of the changes in the TMD of water induced by small amounts of methanol, we have performed a new series of experimental measurements and computer simulations using various force fields. We observe that none of the force-fields tested capture the non-monotonous concentration dependence of the TMD for highly diluted methanol solutions.

  3. 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...

  4. An Impact of Thermodynamic Processes in Human Bodies on Performance Reliability of Individuals

    Directory of Open Access Journals (Sweden)

    Smalko Zbigniew

    2015-01-01

    Full Text Available The article presents the problem of the influence of thermodynamic factors on human fallibility in different zones of thermal discomfort. Describes the processes of energy in the human body. Been given a formal description of the energy balance of the human body thermoregulation. Pointed to human reactions to temperature changes of internal and external environment, including reactions associated with exercise. The methodology to estimate and determine the reliability of indicators of human basal acting in different zones of thermal discomfort. The significant effect of thermodynamic factors on the reliability and security ofperson.

  5. Applied statistical thermodynamics

    CERN Document Server

    Lucas, Klaus

    1991-01-01

    The book guides the reader from the foundations of statisti- cal thermodynamics including the theory of intermolecular forces to modern computer-aided applications in chemical en- gineering and physical chemistry. The approach is new. The foundations of quantum and statistical mechanics are presen- ted in a simple way and their applications to the prediction of fluid phase behavior of real systems are demonstrated. A particular effort is made to introduce the reader to expli- cit formulations of intermolecular interaction models and to show how these models influence the properties of fluid sy- stems. The established methods of statistical mechanics - computer simulation, perturbation theory, and numerical in- tegration - are discussed in a style appropriate for newcom- ers and are extensively applied. Numerous worked examples illustrate how practical calculations should be carried out.

  6. 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.

  7. Thermodynamic Presynthetic Considerations for Ring-Opening Polymerization.

    Science.gov (United States)

    Olsén, Peter; Odelius, Karin; Albertsson, Ann-Christine

    2016-03-14

    The need for polymers for high-end applications, coupled with the desire to mimic nature's macromolecular machinery fuels the development of innovative synthetic strategies every year. The recently acquired macromolecular-synthetic tools increase the precision and enable the synthesis of polymers with high control and low dispersity. However, regardless of the specificity, the polymerization behavior is highly dependent on the monomeric structure. This is particularly true for the ring-opening polymerization of lactones, in which the ring size and degree of substitution highly influence the polymer formation properties. In other words, there are two important factors to contemplate when considering the particular polymerization behavior of a specific monomer: catalytic specificity and thermodynamic equilibrium behavior. This perspective focuses on the latter and undertakes a holistic approach among the different lactones with regard to the equilibrium thermodynamic polymerization behavior and its relation to polymer synthesis. This is summarized in a monomeric overview diagram that acts as a presynthetic directional cursor for synthesizing highly specific macromolecules; the means by which monomer equilibrium conversion relates to starting temperature, concentration, ring size, degree of substitution, and its implications for polymerization behavior are discussed. These discussions emphasize the importance of considering not only the catalytic system but also the monomer size and structure relations to thermodynamic equilibrium behavior. The thermodynamic equilibrium behavior relation with a monomer structure offers an additional layer of complexity to our molecular toolbox and, if it is harnessed accordingly, enables a powerful route to both monomer formation and intentional macromolecular design.

  8. Condensation: Passenger Not Driver in Atmospheric Thermodynamics

    Directory of Open Access Journals (Sweden)

    Jack Denur

    2016-11-01

    . Condensation cannot occur fast enough to maintain relative humidity in a cloud exactly at saturation, thereby trapping some water vapor in metastable supersaturation. Only then can the water vapor condense. Thus ultimately condensation is a thermodynamically nonspontaneous process forced by super-moist-adiabatic lapse rates. Yet water vapor plays vital roles in atmospheric thermodynamics and kinetics. Convective weather systems and storms in a dry atmosphere (e.g., dust devils can extract only the work represented by partial neutralization of super-dry-adiabatic lapse rates to dry-adiabaticity. At typical atmospheric temperatures in the tropics, where convective weather systems and storms are most frequent and active, the moist-adiabatic lapse rate is much smaller (thus much closer to isothermality, and hence represents much more extractable work, than the dry—the thermodynamic advantage of water vapor. Moreover, the large heat of condensation (and to a lesser extent fusion of water facilitates much faster heat transfer from Earth’s surface to the tropopause than is possible in a dry atmosphere, thereby facilitating much faster extraction of work, i.e., much greater power, than is possible in a dry atmosphere—the kinetic advantage of water vapor.

  9. Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayers.

    Science.gov (United States)

    Hu, Yuan; Sinha, Sudipta Kumar; Patel, Sandeep

    2014-10-16

    Using the translocation of short, charged cationic oligo-arginine peptides (mono-, di-, and triarginine) from bulk aqueous solution into model DMPC bilayers, we explore the question of the similarity of thermodynamic and structural predictions obtained from molecular dynamics simulations using all-atom and Martini coarse-grain force fields. Specifically, we estimate potentials of mean force associated with translocation using standard all-atom (CHARMM36 lipid) and polarizable and nonpolarizable Martini force fields, as well as a series of modified Martini-based parameter sets. We find that we are able to reproduce qualitative features of potentials of mean force of single amino acid side chain analogues into model bilayers. In particular, modifications of peptide-water and peptide-membrane interactions allow prediction of free energy minima at the bilayer-water interface as obtained with all-atom force fields. In the case of oligo-arginine peptides, the modified parameter sets predict interfacial free energy minima as well as free energy barriers in almost quantitative agreement with all-atom force field based simulations. Interfacial free energy minima predicted by a modified coarse-grained parameter set are -2.51, -4.28, and -5.42 for mono-, di-, and triarginine; corresponding values from all-atom simulations are -0.83, -3.33, and -3.29, respectively, all in units of kcal/mol. We found that a stronger interaction between oligo-arginine and the membrane components and a weaker interaction between oligo-arginine and water are crucial for producing such minima in PMFs using the polarizable CG model. The difference between bulk aqueous and bilayer center states predicted by the modified coarse-grain force field are 11.71, 14.14, and 16.53 kcal/mol, and those by the all-atom model are 6.94, 8.64, and 12.80 kcal/mol; those are of almost the same order of magnitude. Our simulations also demonstrate a remarkable similarity in the structural aspects of the ensemble of

  10. Forces acting on particles in a Pelton bucket and similarity considerations for erosion

    Science.gov (United States)

    Rai, A. K.; Kumar, A.; Staubli, T.

    2016-11-01

    High sediment transport rates cause severe erosion issues in hydropower plants leading to interruptions in power generation, decrease in efficiency and shutdown for repair and maintenance. For Pelton turbines operating at high head, the issue of erosion is severe, especially in components like buckets, nozzle rings and needles. Goal of the study is to develop erosion focussed guidelines for both designing as well as operating hydropower plants with Pelton runners. In this study, the flow of sediment inside a Pelton bucket with respect to forces acting on solid particles is analysed with an analytical approach by considering different dynamic forces originating from the rotation of the turbine, the curvature of the buckets, and the Coriolis effect. Further, the path of sediment particles and its effect on erosion phenomena are analysed based on the process of separation of different sized sediment particles from streamlines. The data relating to head, power, discharge, number of jet and efficiency of 250 hydropower plants installed all over the world were analysed in this study to find the major factors related to erosion in Pelton turbine bucket. From analysis of different force ratios, it is found that an increase of D/B, i.e. the ratio of pitch circle diameter and bucket width, and/or decrease of specific speed (nq) enhances erosion. As the erosion process depends significantly on nondimensional parameters D/B and nq, these are considered as similarity measures for scaling of the erosion process in the Pelton buckets of various sizes.

  11. Changes in the convective population and thermodynamic environments in convection-permitting regional climate simulations over the United States

    Science.gov (United States)

    Rasmussen, K. L.; Prein, A. F.; Rasmussen, R. M.; Ikeda, K.; Liu, C.

    2017-11-01

    Novel high-resolution convection-permitting regional climate simulations over the US employing the pseudo-global warming approach are used to investigate changes in the convective population and thermodynamic environments in a future climate. Two continuous 13-year simulations were conducted using (1) ERA-Interim reanalysis and (2) ERA-Interim reanalysis plus a climate perturbation for the RCP8.5 scenario. The simulations adequately reproduce the observed precipitation diurnal cycle, indicating that they capture organized and propagating convection that most climate models cannot adequately represent. This study shows that weak to moderate convection will decrease and strong convection will increase in frequency in a future climate. Analysis of the thermodynamic environments supporting convection shows that both convective available potential energy (CAPE) and convective inhibition (CIN) increase downstream of the Rockies in a future climate. Previous studies suggest that CAPE will increase in a warming climate, however a corresponding increase in CIN acts as a balancing force to shift the convective population by suppressing weak to moderate convection and provides an environment where CAPE can build to extreme levels that may result in more frequent severe convection. An idealized investigation of fundamental changes in the thermodynamic environment was conducted by shifting a standard atmospheric profile by ± 5 °C. When temperature is increased, both CAPE and CIN increase in magnitude, while the opposite is true for decreased temperatures. Thus, even in the absence of synoptic and mesoscale variations, a warmer climate will provide more CAPE and CIN that will shift the convective population, likely impacting water and energy budgets on Earth.

  12. Thermodynamic Calculation of Carbide Precipitate in Niobium Microalloyed Steels

    Institute of Scientific and Technical Information of China (English)

    XU Yun-bo; YU Yong-mei; LIU Xiang-hua; WANG Guo-dong

    2006-01-01

    On the basis of regular solution sublattice model, thermodynamic equilibrium of austenite/carbide in Fe-Nb-C ternary system was investigated. The equilibrium volume fraction, chemical driving force of carbide precipitates and molar fraction of niobium and carbon in solution at different temperatures were evaluated respectively. The volume fraction of precipitates increases, molar fraction of niobium dissolved in austenite decreases and molar fraction of carbon increases with decreasing the niobium content. The driving force increases with the decrease of temperature, and then comes to be stable at relatively low temperatures. The predicted ratio of carbon in precipitates is in good agreement with the measured one.

  13. Thermodynamic studies of hydriodic acid in ethylene glycol-water mixtures from electromotive force measurements

    International Nuclear Information System (INIS)

    Elsemongy, M.M.; Abdel-Khalek, A.A.

    1983-01-01

    The standard potentials of the Ag-AgI electrode in twenty ethylene glycol-water mixtures covering the whole range of solvent composition have been determined from the e.m.f. measurements of the cell Pt|H 2 (g, 1atm)| HOAc(m 1 ), NaOAc(m 2 ), KI(m 3 ), solvent|AgI|Ag at nine different temperatures ranging from 15 to 55 0 C. The temperature variation of the standard e.m.f. has been utilized to compute the standard thermodynamic functions for the cell reaction, the primary medium effects of various solvents upon HI, and the standard thermodynamic quantities for the transfer of HI, from the standard state in water to the standard states in the respective solvent media. The chemical effects of solvents on the transfer process have been obtained by subtracting the electrostatic contributions from the total transfer quantities. The results have been discussed in the light of ion-solvent interactions as well as the structural changes of the solvents. (Author)

  14. A Global Survey of Cloud Thermodynamic Phase using High Spatial Resolution VSWIR Spectroscopy, 2005-2015

    Science.gov (United States)

    Thompson, D. R.; Kahn, B. H.; Green, R. O.; Chien, S.; Middleton, E.; Tran, D. Q.

    2017-12-01

    Clouds' variable ice and liquid content significantly influences their optical properties, evolution, and radiative forcing potential (Tan and Storelvmo, J. Atmos. Sci, 73, 2016). However, most remote measurements of thermodynamic phase have spatial resolutions of 1 km or more and are insensitive to mixed phases. This under-constrains important processes, such as spatial partitioning within mixed phase clouds, that carry outsize radiative forcing impacts. These uncertainties could shift Global Climate Model (GCM) predictions of future warming by over 1 degree Celsius (Tan et al., Science 352:6282, 2016). Imaging spectroscopy of reflected solar energy from the 1.4 - 1.8 μm shortwave infrared (SWIR) spectral range can address this observational gap. These observations can distinguish ice and water absorption, providing a robust and sensitive measurement of cloud top thermodynamic phase including mixed phases. Imaging spectrometers can resolve variations at scales of tens to hundreds of meters (Thompson et al., JGR-Atmospheres 121, 2016). We report the first such global high spatial resolution (30 m) survey, based on data from 2005-2015 acquired by the Hyperion imaging spectrometer onboard NASA's EO-1 spacecraft (Pearlman et al., Proc. SPIE 4135, 2001). Estimated seasonal and latitudinal distributions of cloud thermodynamic phase generally agree with observations made by other satellites such as the Atmospheric Infrared Sounder (AIRS). Variogram analyses reveal variability at different spatial scales. Our results corroborate previously observed zonal distributions, while adding insight into the spatial scales of processes governing cloud top thermodynamic phase. Figure: Thermodynamic phase retrievals. Top: Example of a cloud top thermodynamic phase map from the EO-1/Hyperion. Bottom: Latitudinal distributions of pure and mixed phase clouds, 2005-2015, showing Liquid Thickness Fraction (LTF). LTF=0 corresponds to pure ice absorption, while LTF=1 is pure liquid. The

  15. 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

  16. 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

  17. The thermodynamical foundation of electronic conduction in solids

    Science.gov (United States)

    Bringuier, E.

    2018-03-01

    In elementary textbooks, the microscopic justification of Ohm’s local law in a solid medium starts with Drude’s classical model of electron transport and next discusses the quantum-dynamical and statistical amendments. In this paper, emphasis is laid instead upon the thermodynamical background motivated by the Joule-Lenz heating effect accompanying conduction and the fact that the conduction electrons are thermalized at the lattice temperature. Both metals and n-type semiconductors are considered; but conduction under a magnetic field is not. Proficiency in second-year thermodynamics and vector analysis is required from an undergraduate university student in physics so that the content of the paper can be taught to third-year students. The necessary elements of quantum mechanics are posited in this paper without detailed justification. We start with the equilibrium-thermodynamic notion of the chemical potential of the electron gas, the value of which distinguishes metals from semiconductors. Then we turn to the usage of the electrochemical potential in the description of near-equilibrium electron transport. The response of charge carriers to the electrochemical gradient involves the mobility, which is the reciprocal of the coefficient of the effective friction force opposing the carrier drift. Drude’s calculation of mobility is restated with the dynamical requirements of quantum physics. Where the carrier density is inhomogeneous, there appears diffusion, the coefficient of which is thermodynamically related to the mobility. Next, it is remarked that the release of heat was ignored in Drude’s original model. In this paper, the flow of Joule heat is handled thermodynamically within an energy balance where the voltage generator, the conduction electrons and the host lattice are involved in an explicit way. The notion of dissipation is introduced as the rate of entropy creation in a steady state. The body of the paper is restricted to the case of one

  18. Design study of shaft face seal with self-acting lift augmentation. 4: Force balance

    Science.gov (United States)

    Ludwig, L. P.; Zuk, J.; Johnson, R. L.

    1972-01-01

    A method for predicting the operating film thickness of self-acting seals is described. The analysis considers a 16.76-cm mean diameter seal that is typical of large gas turbines for aircraft. Four design points were selected to cover a wide range of operation for advanced engines. This operating range covered sliding speeds of 61 to 153 m/sec, sealed pressures of 45 to 217 N/sq cm abs, and gas temperatures of 311 to 977 K. The force balance analysis revealed that the seal operated without contact over the operating range with gas film thicknesses ranging between 0.00046 to 0.00119 cm, and with gas leakage rates between 0.01 to 0.39 scmm.

  19. Impact of protein and ligand impurities on ITC-derived protein-ligand thermodynamics.

    Science.gov (United States)

    Grüner, Stefan; Neeb, Manuel; Barandun, Luzi Jakob; Sielaff, Frank; Hohn, Christoph; Kojima, Shun; Steinmetzer, Torsten; Diederich, François; Klebe, Gerhard

    2014-09-01

    The thermodynamic characterization of protein-ligand interactions by isothermal titration calorimetry (ITC) is a powerful tool in drug design, giving valuable insight into the interaction driving forces. ITC is thought to require protein and ligand solutions of high quality, meaning both the absence of contaminants as well as accurately determined concentrations. Ligands synthesized to deviating purity and protein of different pureness were titrated by ITC. Data curation was attempted also considering information from analytical techniques to correct stoichiometry. We used trypsin and tRNA-guanine transglycosylase (TGT), together with high affinity ligands to investigate the effect of errors in protein concentration as well as the impact of ligand impurities on the apparent thermodynamics. We found that errors in protein concentration did not change the thermodynamic properties obtained significantly. However, most ligand impurities led to pronounced changes in binding enthalpy. If protein binding of the respective impurity is not expected, the actual ligand concentration was corrected for and the thus revised data compared to thermodynamic properties obtained with the respective pure ligand. Even in these cases, we observed differences in binding enthalpy of about 4kJ⋅mol(-1), which is considered significant. Our results indicate that ligand purity is the critical parameter to monitor if accurate thermodynamic data of a protein-ligand complex are to be recorded. Furthermore, artificially changing fitting parameters to obtain a sound interaction stoichiometry in the presence of uncharacterized ligand impurities may lead to thermodynamic parameters significantly deviating from the accurate thermodynamic signature. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. 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.

  1. Thermodynamic equilibrium in relativistic rotating systems

    International Nuclear Information System (INIS)

    Suen, W.M.; Washington Univ., St. Louis, MO; Young, K.

    1988-01-01

    The thermodynamic equilibrium configurations of relativistic rotating stars are studied using the maximum entropy principle. It is shown that the heuristic arguments for the equilibrium conditions can be developed into a maximum entropy principle in which the variations are carried out in a fixed background spacetime. This maximum principle with the fixed background assumption is technically simpler than, but has to be justified by, a maximum entropy principle without the assumption. Such a maximum entropy principle is formulated in this paper, showing that the general relativistic system can be treated on the same footing as other long-range force systems. (author)

  2. 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)

  3. Thermodynamic Optimality criteria for biological systems in linear irreversible thermodynamics

    International Nuclear Information System (INIS)

    Chimal, J C; Sánchez, N; Ramírez, PR

    2017-01-01

    In this paper the methodology of the so-called Linear Irreversible Thermodynamics (LIT) is applied; although traditionally used locally to study general systems in non-equilibrium states in which it is consider both internal and external contributions to the entropy increments in order to analyze the efficiency of two coupled processes with generalized fluxes J 1 , J 2 and their corresponding forces X 1 , X 2 . We extend the former analysis to takes into account two different operating regimes namely: Omega Function and Efficient Power criterion, respectively. Results show analogies in the optimal performance between and we can say that there exist a criteria of optimization which can be used specially for biological systems where a good design of the biological parameters made by nature at maximum efficient power conditions lead to more efficient engines than those at the maximum power conditions or ecological conditions. (paper)

  4. Countermeasures for Reducing Unsteady Aerodynamic Force Acting on High-Speed Train in Tunnel by Use of Modifications of Train Shapes

    Science.gov (United States)

    Suzuki, Masahiro; Nakade, Koji; Ido, Atsushi

    As the maximum speed of high-speed trains increases, flow-induced vibration of trains in tunnels has become a subject of discussion in Japan. In this paper, we report the result of a study on use of modifications of train shapes as a countermeasure for reducing an unsteady aerodynamic force by on-track tests and a wind tunnel test. First, we conduct a statistical analysis of on-track test data to identify exterior parts of a train which cause the unsteady aerodynamic force. Next, we carry out a wind tunnel test to measure the unsteady aerodynamic force acting on a train in a tunnel and examined train shapes with a particular emphasis on the exterior parts identified by the statistical analysis. The wind tunnel test shows that fins under the car body are effective in reducing the unsteady aerodynamic force. Finally, we test the fins by an on-track test and confirmed its effectiveness.

  5. 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

  6. 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.

  7. 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

  8. Extended irreversible thermodynamics and non-equilibrium temperature

    Directory of Open Access Journals (Sweden)

    Casas-Vazquez, Jose'

    2008-02-01

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

  9. 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

  10. 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.

  11. Friction-induced vibrations and self-organization mechanics and non-equilibrium thermodynamics of sliding contact

    CERN Document Server

    Nosonovsky, Michael

    2013-01-01

    Many scientists and engineers do not realize that, under certain conditions, friction can lead to the formation of new structures at the interface, including in situ tribofilms and various patterns. In turn, these structures-usually formed by destabilization of the stationary sliding regime-can lead to the reduction of friction and wear. Friction-Induced Vibrations and Self-Organization: Mechanics and Non-Equilibrium Thermodynamics of Sliding Contact combines the mechanical and thermodynamic methods in tribology, thus extending the field of mechanical friction-induced vibrations to non-mechanical instabilities and self-organization processes at the frictional interface. The book also relates friction-induced self-organization to novel biomimetic materials, such as self-lubricating, self-cleaning, and self-healing materials. Explore Friction from a Different Angle-as a Fundamental Force of Nature The book begins with an exploration of friction as a fundamental force of nature throughout the history of science....

  12. 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…

  13. 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...

  14. New US energy policy act in force

    International Nuclear Information System (INIS)

    Heller, W.

    2005-01-01

    The United States of America is accused by politicians of the German Red-Green federal government, but also by the EU, of not caring enough about climate protection. This allegation is fueled, above all, by the refusal of the United States to sign the Kyoto Protocol of the UN Climate Framework Convention of 1997. However, the US is not idle in this respect. In late July, the United States together with China, India, Japan, South Korea and Australia agreed on an Asia-Pacific Partnership on Clean Development and Climate. Almost at the same time, on July 29, 2005, after more than five years of debate, the US Congress adopted new energy legislation (A Bill to Ensure Jobs for the Future with Secure and Reliable Energy - the Energy Policy Act of 2005). The holistic aspect in this piece of US legislation covers nearly the whole field of energy policy. The Act encompasses these areas: - energy efficiency, - renewable energies, - oil and natural gas, - clean coal, - nuclear power, - vehicles and fuels, - hydrogen, - electricity, - research and development. With its new Energy Policy Act, the United States has paved the way politically for making energy supply in the world's largest industrialized national securer and safer on a technical basis and less pollutant for the environment and the climate. (orig.)

  15. 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

  16. On the ternary Ag – Cu – Ga system: Electromotive force measurement and thermodynamic modeling

    International Nuclear Information System (INIS)

    Gierlotka, Wojciech; Jendrzejczyk-Handzlik, Dominika; Fitzner, Krzysztof; Handzlik, Piotr

    2015-01-01

    The ternary silver–copper–gallium system found application as a solder material in jewel crafting and electronics, thus a phase diagram of this system seems to be important tool, which is necessary for a proper application of different alloys. The activity of gallium in liquid phase was determined by electromotive measurement technique and after that the equilibrium diagram of Ag – Cu – Ga was modeled based on available experimental data using Calphad approach. A set of Gibbs energies was found and used for calculation a phase diagram and thermodynamic properties of liquid phase. The experimental data was reproduced well by calculation. - Highlights: • For the first time activity of Ga in liquid Ag – Cu – Ga alloys was measured. • For the first time the ternary Ag – Cu – Ga system was thermodynamically modeled. • Modeled Ag – Cu – Ga system reproduces experimental data well

  17. 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

  18. 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

  19. 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

  20. 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

  1. Static magnetic forces and torques in ATLAS

    International Nuclear Information System (INIS)

    Morozov, N.A.; Samsonov, E.V.; Vorozhtsov, S.B.

    1998-01-01

    The magnetic forces acting on the various metallic objects around the ATLAS detector, are the subject of the given paper. A system designer could use the information on global forces and torque acting on various components, obtained in this report, to optimize them. The results of force calculations could also serve as additional criteria for the replacement of the magnetic baseline material of various structures by nonmagnetic ones

  2. Modular rate laws for enzymatic reactions: thermodynamics, elasticities and implementation.

    Science.gov (United States)

    Liebermeister, Wolfram; Uhlendorf, Jannis; Klipp, Edda

    2010-06-15

    Standard rate laws are a key requisite for systematically turning metabolic networks into kinetic models. They should provide simple, general and biochemically plausible formulae for reaction velocities and reaction elasticities. At the same time, they need to respect thermodynamic relations between the kinetic constants and the metabolic fluxes and concentrations. We present a family of reversible rate laws for reactions with arbitrary stoichiometries and various types of regulation, including mass-action, Michaelis-Menten and uni-uni reversible Hill kinetics as special cases. With a thermodynamically safe parameterization of these rate laws, parameter sets obtained by model fitting, sampling or optimization are guaranteed to lead to consistent chemical equilibrium states. A reformulation using saturation values yields simple formulae for rates and elasticities, which can be easily adjusted to the given stationary flux distributions. Furthermore, this formulation highlights the role of chemical potential differences as thermodynamic driving forces. We compare the modular rate laws to the thermodynamic-kinetic modelling formalism and discuss a simplified rate law in which the reaction rate directly depends on the reaction affinity. For automatic handling of modular rate laws, we propose a standard syntax and semantic annotations for the Systems Biology Markup Language. An online tool for inserting the rate laws into SBML models is freely available at www.semanticsbml.org. Supplementary data are available at Bioinformatics online.

  3. What forces act in relativistic gyroscope precession?

    Science.gov (United States)

    Semerák, Oldrich

    1996-11-01

    The translation of the relativistic motion into the language of forces, proposed by the author (1995, Nuovo Cimento B 110 973), is employed to interpret the gyroscope precession in general relativity. The precession is referred to the comoving Frenet triad built up along the projection of the gyroscope's trajectory onto the 3-space of the local hypersurface-orthogonal observer. The contributions of the centrifugal, the gravitational and the dragging + Coriolis forces are identified respectively with the Thomas, the geodetic, and the gravitomagnetic components of precession. Explicit expressions are given for several simple types of motion in the Kerr (or simpler) field in order to show that the general formulae obtained are not only very simple, but also yield clear results in accord with intuition in concrete situations.

  4. Complexes between ovalbumin nanoparticles and linoleic acid: Stoichiometric, kinetic and thermodynamic aspects.

    Science.gov (United States)

    Sponton, Osvaldo E; Perez, Adrián A; Carrara, Carlos R; Santiago, Liliana G

    2016-11-15

    Stoichiometric, kinetic and thermodynamic aspects of complex formation between heat-induced aggregates of ovalbumin (ovalbumin nanoparticles, OVAn) and linoleic acid (LA) were evaluated. Extrinsic fluorescence data were fitted to modified Scatchard model yielding the following results: n: 49±2 LA molecules bound per OVA monomer unit and Ka: 9.80±2.53×10(5)M. Kinetic and thermodynamic properties were analyzed by turbidity measurements at different LA/OVA monomer molar ratios (21.5-172) and temperatures (20-40°C). An adsorption approach was used and a pseudo-second-order kinetics was found for LA-OVAn complex formation. This adsorption process took place within 1h. Thermodynamic parameters indicated that LA adsorption on OVAn was a spontaneous, endothermic and entropically-driven process, highlighting the hydrophobic nature of the LA and OVAn interaction. Finally, Atomic Force Microscopy imaging revealed that both OVAn and LA-OVAn complexes have a roughly rounded form with size lower than 100nm. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Thermodynamic equipartition for increased second law efficiency

    International Nuclear Information System (INIS)

    Thiel, Gregory P.; McGovern, Ronan K.; Zubair, Syed M.; Lienhard V, John H.

    2014-01-01

    Highlights: • Efficiency gains from equipartition to minimize entropy generation are quantified. • The equipartition factor (Ξ) quantifies the variance of thermodynamic affinities. • Systems with low (Ξ) and low efficiency gain most when redesigned for equipartition. • For lumped capacitance systems long normalized charging times correlate with low (Ξ). - Abstract: In this work, a clear distinction is drawn between irreversibility associated with a finite mean driving force in a transport process and irreversibility associated with variance in the spatial and/or temporal distribution of this driving force. The portion of irreversibility associated with driving force variance is quantified via a newly defined dimensionless quantity, the equipartition factor. This equipartition factor, related to the variance in dimensionless driving force throughout the system, is employed to formulate an expression for second law efficiency. Consequently, the equipartition factor may be employed to identify the improvement in efficiency achievable via system redesign for a reduction in driving force variance, while holding fixed the system output for fixed system dimensions in time and space. It is shown that systems with low second law efficiency and low equipartition factor will have the greatest benefit from a redesign to obtain equipartition. The utility of the equipartition factor in identifying situations where efficiency can be increased without requiring a spatial or temporal increase in system size is illustrated through its application to several simple systems

  6. 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.

  7. 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

  8. 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...

  9. The Britannica Guide to Heat, Force, and Motion

    CERN Document Server

    Gregersen, Erik

    2010-01-01

    Many of the world's most common processes and interactions are governed by the laws of thermodynamics and mechanics. While the transfer, release, or absorption of heat often accompany chemical reactions or seem inherent to mechanical systems, they are also familiar to anyone who has ever spent time outdoors on a warm day or touched a hot plate. Likewise, any physical body?large or small, solid or fluid?is subject to a wide range of forces that trigger motion. This detailed compendium explores the foundations and laws of both thermodynamics and mechanics as well as the lives of those individual

  10. Comparisons Between Experimental and Semi-theoretical Cutting Forces of CCS Disc Cutters

    Science.gov (United States)

    Xia, Yimin; Guo, Ben; Tan, Qing; Zhang, Xuhui; Lan, Hao; Ji, Zhiyong

    2018-05-01

    This paper focuses on comparisons between the experimental and semi-theoretical forces of CCS disc cutters acting on different rocks. The experimental forces obtained from LCM tests were used to evaluate the prediction accuracy of a semi-theoretical CSM model. The results show that the CSM model reliably predicts the normal forces acting on red sandstone and granite, but underestimates the normal forces acting on marble. Some additional LCM test data from the literature were collected to further explore the ability of the CSM model to predict the normal forces acting on rocks of different strengths. The CSM model underestimates the normal forces acting on soft rocks, semi-hard rocks and hard rocks by approximately 38, 38 and 10%, respectively, but very accurately predicts those acting on very hard and extremely hard rocks. A calibration factor is introduced to modify the normal forces estimated by the CSM model. The overall trend of the calibration factor is characterized by an exponential decrease with increasing rock uniaxial compressive strength. The mean fitting ratios between the normal forces estimated by the modified CSM model and the experimental normal forces acting on soft rocks, semi-hard rocks and hard rocks are 1.076, 0.879 and 1.013, respectively. The results indicate that the prediction accuracy and the reliability of the CSM model have been improved.

  11. 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.

  12. Halogen bonding in solution: thermodynamics and applications.

    Science.gov (United States)

    Beale, Thomas M; Chudzinski, Michael G; Sarwar, Mohammed G; Taylor, Mark S

    2013-02-21

    Halogen bonds are noncovalent interactions in which covalently bound halogens act as electrophilic species. The utility of halogen bonding for controlling self-assembly in the solid state is evident from a broad spectrum of applications in crystal engineering and materials science. Until recently, it has been less clear whether, and to what extent, halogen bonding could be employed to influence conformation, binding or reactivity in the solution phase. This tutorial review summarizes and interprets solution-phase thermodynamic data for halogen bonding interactions obtained over the past six decades and highlights emerging applications in molecular recognition, medicinal chemistry and catalysis.

  13. 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

  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. 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.

  16. A Unified Methodology for Aerospace Systems Integration Based on Entropy and the Second Law of Thermodynamics: Aerodynamics Assessment

    National Research Council Canada - National Science Library

    Camberos, Jose A; Nomura, Shohei; Stewart, Jason; Figliola, Richard

    2004-01-01

    .... The objective of this project is to relate work-potential losses (exergy destruction) to the aerodynamics forces in an attempt to validate a new design methodology based on the second law of thermodynamic...

  17. Negative Knudsen force on heated microbeams

    KAUST Repository

    Zhu, Taishan; Ye, Wenjing; Zhang, Jun

    2011-01-01

    Knudsen force acting on a heated microbeam adjacent to a cold substrate in a rarefied gas is a mechanical force created by unbalanced thermal gradients. The measured force has its direction pointing towards the side with a lower thermal gradient

  18. Hydrodynamic forces on inundated bridge decks

    Science.gov (United States)

    2009-05-01

    The hydrodynamic forces experienced by an inundated bridge deck have great importance in the design of bridges. Specifically, the drag force, lift force, and the moment acting on the bridge deck under various levels of inundation and a range of flow ...

  19. 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.

  20. 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.

  1. 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.

  2. Rigorous force field optimization principles based on statistical distance minimization

    Energy Technology Data Exchange (ETDEWEB)

    Vlcek, Lukas, E-mail: vlcekl1@ornl.gov [Chemical Sciences Division, Geochemistry & Interfacial Sciences Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110 (United States); Joint Institute for Computational Sciences, University of Tennessee, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6173 (United States); Chialvo, Ariel A. [Chemical Sciences Division, Geochemistry & Interfacial Sciences Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110 (United States)

    2015-10-14

    We use the concept of statistical distance to define a measure of distinguishability between a pair of statistical mechanical systems, i.e., a model and its target, and show that its minimization leads to general convergence of the model’s static measurable properties to those of the target. We exploit this feature to define a rigorous basis for the development of accurate and robust effective molecular force fields that are inherently compatible with coarse-grained experimental data. The new model optimization principles and their efficient implementation are illustrated through selected examples, whose outcome demonstrates the higher robustness and predictive accuracy of the approach compared to other currently used methods, such as force matching and relative entropy minimization. We also discuss relations between the newly developed principles and established thermodynamic concepts, which include the Gibbs-Bogoliubov inequality and the thermodynamic length.

  3. The Pu–U–Am system: An ab initio informed CALPHAD thermodynamic study

    International Nuclear Information System (INIS)

    Perron, A.; Turchi, P.E.A.; Landa, A.; Söderlind, P.; Ravat, B.; Oudot, B.; Delaunay, F.

    2015-01-01

    Highlights: • The ab initio informed CALPHAD assessment of the Am–U system has been realized. • A strong tendency toward phase separation across the whole composition range is predicted. • The ab initio informed Pu–U–Am thermodynamic database has been developed. • The solubility of Am and U in the liquid phase is improved by adding Pu. • The δ-Pu (fcc) phase is strongly stabilized by Am, on the contrary to the bcc phase. - Abstract: Phase diagram and thermodynamic properties of the Am–U system, that are experimentally unknown, are calculated using the CALPHAD method with input from ab initio electronic-structure calculations for the fcc and bcc phases. A strong tendency toward phase separation across the whole composition range is predicted. In addition, ab initio informed Pu–U and Am–Pu thermodynamic assessments are combined to build a Pu–U–Am thermodynamic database. Regarding the Pu-rich corner of the ternary system, predictions indicate that Am acts as a powerful δ-Pu (fcc) stabilizer. In the U-rich corner, similar predictions are made but to a lesser extent. In both cases, the bcc phase is destabilized and the fcc phase is enhanced. Finally, results and methodology are discussed and compared with previous assessments and guidelines are provided for further experimental studies

  4. The Pu–U–Am system: An ab initio informed CALPHAD thermodynamic study

    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.; Söderlind, P. [Lawrence Livermore National Laboratory, Livermore, CA 94550 (United States); Ravat, B.; Oudot, B.; Delaunay, F. [CEA-Centre de Valduc, 21120 Is sur Tille (France)

    2015-03-15

    Highlights: • The ab initio informed CALPHAD assessment of the Am–U system has been realized. • A strong tendency toward phase separation across the whole composition range is predicted. • The ab initio informed Pu–U–Am thermodynamic database has been developed. • The solubility of Am and U in the liquid phase is improved by adding Pu. • The δ-Pu (fcc) phase is strongly stabilized by Am, on the contrary to the bcc phase. - Abstract: Phase diagram and thermodynamic properties of the Am–U system, that are experimentally unknown, are calculated using the CALPHAD method with input from ab initio electronic-structure calculations for the fcc and bcc phases. A strong tendency toward phase separation across the whole composition range is predicted. In addition, ab initio informed Pu–U and Am–Pu thermodynamic assessments are combined to build a Pu–U–Am thermodynamic database. Regarding the Pu-rich corner of the ternary system, predictions indicate that Am acts as a powerful δ-Pu (fcc) stabilizer. In the U-rich corner, similar predictions are made but to a lesser extent. In both cases, the bcc phase is destabilized and the fcc phase is enhanced. Finally, results and methodology are discussed and compared with previous assessments and guidelines are provided for further experimental studies.

  5. 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

  6. Thermodynamic interpretation of the field equation of BTZ charged black hole near the horizon

    International Nuclear Information System (INIS)

    Larranaga, A.

    2008-01-01

    As is already known, a spacetime horizon acts like a boundary of a thermal system and we can associate with it notions such as temperature and entropy. Following the work of M. Akbar, in this paper we will show how it is possible to interpret the field equation of a charged BTZ black hole near the horizon as a thermodynamic identity dE=TdS+P r dA+ΦdQ$, where Φ is the electric potential and $Q$ is the electric charge of a BTZ black hole. These results indicate that the field equations for the charged BTZ black hole possess intrinsic thermodynamic properties near the horizon.

  7. Relation between the psychological and thermodynamic arrows of time

    Science.gov (United States)

    Mlodinow, Leonard; Brun, Todd A.

    2014-05-01

    In this paper we lay out an argument that generically the psychological arrow of time should align with the thermodynamic arrow of time where that arrow is well defined. This argument applies to any physical system that can act as a memory, in the sense of preserving a record of the state of some other system. This result follows from two principles: the robustness of the thermodynamic arrow of time to small perturbations in the state, and the principle that a memory should not have to be fine-tuned to match the state of the system being recorded. This argument applies even if the memory system itself is completely reversible and nondissipative. We make the argument with a paradigmatic system, and then formulate it more broadly for any system that can be considered a memory. We illustrate these principles for a few other example systems and compare our criteria to earlier treatments of this problem.

  8. Charge-Transfer Complexes Studied by Dynamic Force Spectroscopy

    Directory of Open Access Journals (Sweden)

    Jurriaan Huskens

    2013-03-01

    Full Text Available In this paper, the strength and kinetics of two charge-transfer complexes, naphthol-methylviologen and pyrene-methylviologen, are studied using dynamic force spectroscopy. The dissociation rates indicate an enhanced stability of the pyrene-methylviologen complex, which agrees with its higher thermodynamic stability compared to naphthol-methylviologen complex.

  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. 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

  12. 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

  13. 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

  14. 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

  15. Force-Induced Rupture of a DNA Duplex: From Fundamentals to Force Sensors.

    Science.gov (United States)

    Mosayebi, Majid; Louis, Ard A; Doye, Jonathan P K; Ouldridge, Thomas E

    2015-12-22

    The rupture of double-stranded DNA under stress is a key process in biophysics and nanotechnology. In this article, we consider the shear-induced rupture of short DNA duplexes, a system that has been given new importance by recently designed force sensors and nanotechnological devices. We argue that rupture must be understood as an activated process, where the duplex state is metastable and the strands will separate in a finite time that depends on the duplex length and the force applied. Thus, the critical shearing force required to rupture a duplex depends strongly on the time scale of observation. We use simple models of DNA to show that this approach naturally captures the observed dependence of the force required to rupture a duplex within a given time on duplex length. In particular, this critical force is zero for the shortest duplexes, before rising sharply and then plateauing in the long length limit. The prevailing approach, based on identifying when the presence of each additional base pair within the duplex is thermodynamically unfavorable rather than allowing for metastability, does not predict a time-scale-dependent critical force and does not naturally incorporate a critical force of zero for the shortest duplexes. We demonstrate that our findings have important consequences for the behavior of a new force-sensing nanodevice, which operates in a mixed mode that interpolates between shearing and unzipping. At a fixed time scale and duplex length, the critical force exhibits a sigmoidal dependence on the fraction of the duplex that is subject to shearing.

  16. A new method for measuring lift forces acting on an airfoil under dynamic conditions

    Energy Technology Data Exchange (ETDEWEB)

    Wolken-Moehlmann, Gerrit; Peinke, Joachim [Institute of Physics, University of Oldenburg (Germany)

    2008-07-01

    Wind turbines operate in a turbulent atmospheric boundary layer and are exposed to strong wind fluctuations in time and space. This can induce the dynamic stall, a phenomenon that causes extra loads. Dynamic stall occurs under fast changes in the angle of attack (AoA) and was determined in detail in helicopter research. But in contrast to helicopter aerodynamics, the changes in the AoA of wind turbine airfoils are in general non-sinusoidal, and thus it seems to be difficult to use these measurements and models. Our goal is to acquire lift data under conditions more comparable to real wind turbines, including non-periodic changes in the AoA. For this purpose a closed test section for our wind tunnel was built. An airfoil with a chord length of 0.2m will be rotated by a stepping motor with angular velocities of up to 300 {sup circle} /s. With a maximum wind velocity of 50m/s, Reynolds numbers of Re=700 000 can be realized. The lift force is determined by the counter forces acting on the wind tunnel walls. These are measured by two lines of 40 pressure sensors with sampling rates up to 2kHz. The results show distinct dynamic stall characteristics. Further experiments with different parameters and foils will give a better insight in dynamic stall and a verification and improvement of existing models.

  17. On the derivation of thermodynamic restrictions for materials with internal state variables

    International Nuclear Information System (INIS)

    Malmberg, T.

    1987-07-01

    Thermodynamic restrictions for the constitutive relations of an internal variable model are derived by evaluating the Clausius-Duhem entropy inequality with two different approaches. The classical Coleman-Noll argumentation of Rational Thermodynamics applied by Coleman and Gurtin to an internal variable model is summarized. This approach requires an arbitrary modulation of body forces and heat supply in the interior of the body which is subject to criticism. The second approach applied in this presentation is patterned after a concept of Mueller and Liu, originally developed within the context of a different entropy inequality and different classes of constitutive models. For the internal variable model the second approach requires only the modulation of initial values on the boundary of the body. In the course of the development of the second approach certain differences to the argumentation of Mueller and Liu become evident and are pointed out. Finally, the results demonstrate that the first and second approach give the same thermodynamic restrictions for the internal variable model. The derived residual entropy inequality requires further analysis. (orig.) [de

  18. Thermodynamics and instability of dielectric elastomer (Conference Presentation)

    Science.gov (United States)

    Liu, Liwu; Liu, Yanju; Leng, Jinsong; Mu, Tong

    2017-04-01

    Dielectric elastomer is a kind of typical soft active material. It can deform obviously when subjected to an external voltage. When a dielectric elastomer with randomly oriented dipoles is subject to an electric field, the dipoles will rotate to and align with the electric field. The polarization of the dielectric elastomer may be saturated when the voltage is high enough. When subjected to a mechanical force, the end-to-end distance of each polymer chain, which has a finite contour length, will approach the finite value, reaching a limiting stretch. On approaching the limiting stretch, the elastomer stiffens steeply. Here, we develop a thermodynamic constitutive model of dielectric elastomers undergoing polarization saturation and strain-stiffening, and then investigate the stability (electromechanical stability, snap-through stability) and voltage induced deformation of dielectric elastomers. Analytical solution has been obtained and it reveals the marked influence of the extension limit and polarization saturation limit on its instability. The developed thermodynamic constitutive model and simulation results would be helpful in future to the research of dielectric elastomer based high-performance transducers.

  19. THERMODYNAMICS OF PROTEIN-LIGAND INTERACTIONS AND THEIR ANALYSIS

    Directory of Open Access Journals (Sweden)

    Rummi Devi Saini

    2017-11-01

    Full Text Available Physiological processes are controlled mainly by intermolecular recognition mechanisms which involve protein–protein and protein–ligand interactions with a high specificity and affinity to form a specific complex. Proteins being an important class of macromolecules in biological systems, it is important to understand their actions through binding to other molecules of proteins or ligands. In fact, the binding of low molecular weight ligands to proteins plays a significant role in regulating biological processes such as cellular metabolism and signal transmission. Therefore knowledge of the protein–ligand interactions and the knowledge of the mechanisms involved in the protein-ligand recognition and binding are key in understanding biology at molecular level which will facilitate the discovery, design, and development of drugs. In this review, the mechanisms involved in protein–ligand binding, the binding kinetics, thermodynamic concepts and binding driving forces are discussed. Thermodynamic mechanisms involved in a few important protein-ligand binding are described. Various spectroscopic, non-spectroscopic and computational method for analysis of protein–ligand binding are also discussed.

  20. Forces that Drive Nanoscale Self-assembly on Solid Surfaces

    International Nuclear Information System (INIS)

    Suo, Z.; Lu, W.

    2000-01-01

    Experimental evidence has accumulated in the recent decade that nanoscale patterns can self-assemble on solid surfaces. A two-component monolayer grown on a solid surface may separate into distinct phases. Sometimes the phases select sizes about 10 nm, and order into an array of stripes or disks. This paper reviews a model that accounts for these behaviors. Attention is focused on thermodynamic forces that drive the self-assembly. A double-welled, composition-dependent free energy drives phase separation. The phase boundary energy drives phase coarsening. The concentration-dependent surface stress drives phase refining. It is the competition between the coarsening and the refining that leads to size selection and spatial ordering. These thermodynamic forces are embodied in a nonlinear diffusion equation. Numerical simulations reveal rich dynamics of the pattern formation process. It is relatively fast for the phases to separate and select a uniform size, but exceedingly slow to order over a long distance, unless the symmetry is suitably broken

  1. Nonequilibrium thermodynamics and energy efficiency in weight loss diets

    Directory of Open Access Journals (Sweden)

    Fine Eugene J

    2007-07-01

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

  2. 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

  3. 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.

  4. Coarse-graining polymers with the MARTINI force-field: polystyrene as a benchmark case

    DEFF Research Database (Denmark)

    Rossi, G.; Monticelli, L.; Puisto, S. R.

    2011-01-01

    We hereby introduce a new hybrid thermodynamic-structural approach to the coarse-graining of polymers. The new model is developed within the framework of the MARTINI force-field (Marrink et al., J. Phys. Chem. B, 2007, 111, 7812), which uses mainly thermodynamic properties as targets...... of microseconds. Finally, we tested our model in dilute conditions. The collapse of the polymer chains in a bad solvent and the swelling in a good solvent could be reproduced....

  5. Thermodynamic analysis of computed pathways integrated into the metabolic networks of E. coli and Synechocystis reveals contrasting expansion potential.

    Science.gov (United States)

    Asplund-Samuelsson, Johannes; Janasch, Markus; Hudson, Elton P

    2018-01-01

    Introducing biosynthetic pathways into an organism is both reliant on and challenged by endogenous biochemistry. Here we compared the expansion potential of the metabolic network in the photoautotroph Synechocystis with that of the heterotroph E. coli using the novel workflow POPPY (Prospecting Optimal Pathways with PYthon). First, E. coli and Synechocystis metabolomic and fluxomic data were combined with metabolic models to identify thermodynamic constraints on metabolite concentrations (NET analysis). Then, thousands of automatically constructed pathways were placed within each network and subjected to a network-embedded variant of the max-min driving force analysis (NEM). We found that the networks had different capabilities for imparting thermodynamic driving forces toward certain compounds. Key metabolites were constrained differently in Synechocystis due to opposing flux directions in glycolysis and carbon fixation, the forked tri-carboxylic acid cycle, and photorespiration. Furthermore, the lysine biosynthesis pathway in Synechocystis was identified as thermodynamically constrained, impacting both endogenous and heterologous reactions through low 2-oxoglutarate levels. Our study also identified important yet poorly covered areas in existing metabolomics data and provides a reference for future thermodynamics-based engineering in Synechocystis and beyond. The POPPY methodology represents a step in making optimal pathway-host matches, which is likely to become important as the practical range of host organisms is diversified. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

  6. Neutrality Versus Materiality: A Thermodynamic Theory of Neutral Surfaces

    Directory of Open Access Journals (Sweden)

    Rémi Tailleux

    2016-09-01

    Full Text Available In this paper, a theory for constructing quasi-neutral density variables γ directly in thermodynamic space is formulated, which is based on minimising the absolute value of a purely thermodynamic quantity J n . Physically, J n has a dual dynamic/thermodynamic interpretation as the quantity controlling the energy cost of adiabatic and isohaline parcel exchanges on material surfaces, as well as the dependence of in-situ density on spiciness, in a description of water masses based on γ, spiciness and pressure. Mathematically, minimising | J n | in thermodynamic space is showed to be equivalent to maximising neutrality in physical space. The physics of epineutral dispersion is also reviewed and discussed. It is argued, in particular, that epineutral dispersion is best understood as the aggregate effect of many individual non-neutral stirring events (being understood here as adiabatic and isohaline events with non-zero buoyancy, so that it is only the net displacement aggregated over many events that is approximately neutral. This new view resolves an apparent paradox between the focus in neutral density theory on zero-buoyancy motions and the overwhelming evidence that lateral dispersion in the ocean is primarily caused by non-zero buoyancy processes such as tides, residual currents and sheared internal waves. The efficiency by which a physical process contributes to lateral dispersion can be characterised by its energy signature, with those processes releasing available potential energy (negative energy cost being more efficient than purely neutral processes with zero energy cost. The latter mechanism occurs in the wedge of instability, and its source of energy is the coupling between baroclinicity, thermobaricity, and density compensated temperature/salinity anomalies. Such a mechanism, which can only exist in a salty ocean, is speculated to be important for dissipating spiciness anomalies and neutral helicity. The paper also discusses potential

  7. Dust Transport And Force Equilibria In Magnetized Dusty DC Discharges

    International Nuclear Information System (INIS)

    Land, Victor; Thomas, Edward Jr.; Williams, Jeremaiah

    2005-01-01

    We have performed experiments on magnetized dusty Argon DC discharges. Here we report on the characterization of the plasma- and the dustparameters and on the response of the dust particles and the plasma to a change in the magnetic configuration inside the discharge. Finally, we show a case in which the balance of forces acting on the dust particles differs from the classical balance (in which the electrostatic force balances the downward force of gravity). In this case the electrostatic force acts as a downward force on the dust particles. From observations we will argue that the ion drag force might be the force that balances this downward electrostatic force

  8. Thermodynamic free energy methods to investigate shape transitions in bilayer membranes.

    Science.gov (United States)

    Ramakrishnan, N; Tourdot, Richard W; Radhakrishnan, Ravi

    2016-06-01

    The conformational free energy landscape of a system is a fundamental thermodynamic quantity of importance particularly in the study of soft matter and biological systems, in which the entropic contributions play a dominant role. While computational methods to delineate the free energy landscape are routinely used to analyze the relative stability of conformational states, to determine phase boundaries, and to compute ligand-receptor binding energies its use in problems involving the cell membrane is limited. Here, we present an overview of four different free energy methods to study morphological transitions in bilayer membranes, induced either by the action of curvature remodeling proteins or due to the application of external forces. Using a triangulated surface as a model for the cell membrane and using the framework of dynamical triangulation Monte Carlo, we have focused on the methods of Widom insertion, thermodynamic integration, Bennett acceptance scheme, and umbrella sampling and weighted histogram analysis. We have demonstrated how these methods can be employed in a variety of problems involving the cell membrane. Specifically, we have shown that the chemical potential, computed using Widom insertion, and the relative free energies, computed using thermodynamic integration and Bennett acceptance method, are excellent measures to study the transition from curvature sensing to curvature inducing behavior of membrane associated proteins. The umbrella sampling and WHAM analysis has been used to study the thermodynamics of tether formation in cell membranes and the quantitative predictions of the computational model are in excellent agreement with experimental measurements. Furthermore, we also present a method based on WHAM and thermodynamic integration to handle problems related to end-point-catastrophe that are common in most free energy methods.

  9. 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...

  10. Thermodynamics inducing massive particles' tunneling and cosmic censorship

    International Nuclear Information System (INIS)

    Zhang, Baocheng; Cai, Qing-yu; Zhan, Ming-sheng

    2010-01-01

    By calculating the change of entropy, we prove that the first law of black hole thermodynamics leads to the tunneling probability of massive particles through the horizon, including the tunneling probability of massive charged particles from the Reissner-Nordstroem black hole and the Kerr-Newman black hole. Novelly, we find the trajectories of massive particles are close to that of massless particles near the horizon, although the trajectories of massive charged particles may be affected by electromagnetic forces. We show that Hawking radiation as massive particles tunneling does not lead to violation of the weak cosmic-censorship conjecture. (orig.)

  11. Development of a Phasor Diagram Creator to Visualize the Piston and Displacer Forces in an Advanced Stirling Convertor

    Science.gov (United States)

    Saha, Dipanjan; Lewandowski, Edward J.

    2013-01-01

    The steady-state, nearly sinusoidal behavior of the components in a free-piston Stirling engine allows for visualization of the forces in the system using phasor diagrams. Based on Newton's second law, F = ma, any phasor diagrams modeling a given component in a system should close if all of the acting forces have been considered. Since the Advanced Stirling Radioisotope Generator (ASRG), currently being developed for future NASA deep space missions, is made up of such nearly sinusoidally oscillating components, its phasor diagrams would also be expected to close. A graphical user interface (GUI) has been written in MATLAB (MathWorks), which takes user input data, passes it to Sage (Gedeon Associates), a one-dimensional thermodynamic modeling program used to model the Stirling convertor, runs Sage, and then automatically plots the phasor diagrams. Using this software tool, the effect of varying different Sage inputs on the phasor diagrams was determined. The parameters varied were piston amplitude, hot-end temperature, cold-end temperature, operating frequency, and displacer spring constant. These phasor diagrams offer useful insight into convertor operation and performance.

  12. 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).

  13. Estimation of Coriolis Force and Torque Acting on Ares-1

    Science.gov (United States)

    Mackey, Ryan M.; Kulikov, Igor K.; Smelyanskiy, Vadim; Luchinsky, Dmitry; Orr, Jeb

    2011-01-01

    A document describes work on the origin of Coriolis force and estimating Coriolis force and torque applied to the Ares-1 vehicle during its ascent, based on an internal ballistics model for a multi-segmented solid rocket booster (SRB).

  14. 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

  15. Error analysis and assessment of unsteady forces acting on a flapping wing micro air vehicle: free flight versus wind-tunnel experimental methods.

    Science.gov (United States)

    Caetano, J V; Percin, M; van Oudheusden, B W; Remes, B; de Wagter, C; de Croon, G C H E; de Visser, C C

    2015-08-20

    An accurate knowledge of the unsteady aerodynamic forces acting on a bio-inspired, flapping-wing micro air vehicle (FWMAV) is crucial in the design development and optimization cycle. Two different types of experimental approaches are often used: determination of forces from position data obtained from external optical tracking during free flight, or direct measurements of forces by attaching the FWMAV to a force transducer in a wind-tunnel. This study compares the quality of the forces obtained from both methods as applied to a 17.4 gram FWMAV capable of controlled flight. A comprehensive analysis of various error sources is performed. The effects of different factors, e.g., measurement errors, error propagation, numerical differentiation, filtering frequency selection, and structural eigenmode interference, are assessed. For the forces obtained from free flight experiments it is shown that a data acquisition frequency below 200 Hz and an accuracy in the position measurements lower than ± 0.2 mm may considerably hinder determination of the unsteady forces. In general, the force component parallel to the fuselage determined by the two methods compares well for identical flight conditions; however, a significant difference was observed for the forces along the stroke plane of the wings. This was found to originate from the restrictions applied by the clamp to the dynamic oscillations observed in free flight and from the structural resonance of the clamped FWMAV structure, which generates loads that cannot be distinguished from the external forces. Furthermore, the clamping position was found to have a pronounced influence on the eigenmodes of the structure, and this effect should be taken into account for accurate force measurements.

  16. Expansion of thermodynamic model of solute permeation through reverse osmosis membrane

    International Nuclear Information System (INIS)

    Nishimaki, Kenzo; Koyama, Akio

    1994-01-01

    Many studies have been performed on permeation mechanism of solute and solvent in membrane separation process like reverse osmosis or ultrafiltration, and several models of solute/solvent permeation through membrane are proposed. Among these models, Kedem and Katchalsky, based on the theory of thermodynamics of irreversible processes, formulated the one-solute permeation process in their mathematical model, which treats membrane as a black box, not giving consideration to membrane structure and to interaction between membrane material and permeates, viz. solute and solvent. According to this theory, the driving force of solute/solvent permeation through membrane is the difference of their chemical potential between both sides of membrane, and the linear phenomenological equation is applied to describing the relation between driving force and flux of solute/solvent. This equation can be applied to the irreversible process only when the process is almost in equilibrium. This condition is supposed to be satisfied in the solute/solvent permeation process through compact membrane with fine pores like reverse osmosis membrane. When reverse osmosis is applied to treatment process for liquid waste, which usually contains a lot of solutes as contaminants, we can not predict the behavior of contaminants by the above one-solute process model. In the case of multi-solutes permeation process for liquid waste, the number of parameter in thermodynamic model increases rapidly with the number of solute, because of coupling phenomenon among solutes. In this study, we expanded the above thermodynamic model to multi-solute process applying operational calculus to the differential equations which describe the irreversible process of the system, and expressed concisely solute concentration vector as a matrix product. In this way, we predict the behavior of solutes in multi-solutes process, using values of parameters obtained in two-solutes process. (author)

  17. Analytical thermodynamics of a strongly attractive three-component Fermi gas in one dimension

    International Nuclear Information System (INIS)

    He Peng; Yin Xiangguo; Wang Yupeng; Guan Xiwen; Batchelor, Murray T.

    2010-01-01

    Ultracold three-component atomic Fermi gases in one dimension are expected to exhibit rich physics due to the presence of trions and different pairing states. Quantum phase transitions from the trion state into a paired phase and a normal Fermi liquid occur at zero temperature. We derive the analytical thermodynamics of strongly attractive three-component one-dimensional fermions with SU(3) symmetry via the thermodynamic Bethe ansatz method in unequal Zeeman splitting fields H 1 and H 2 . We find explicitly that for low temperature the system acts like either a two-component or a three-component Tomonaga-Luttinger liquid dependent on the system parameters. The phase diagrams for the chemical potential and specific heat are presented for illustrative values of the Zeeman splitting. We also demonstrate that crossover between different Tomonaga-Luttinger-liquid phases exhibit singular behavior in specific heat and entropy as the temperature tends to zero. Beyond Tomonaga-Luttinger-liquid physics, we obtain the equation of state which provides a precise description of universal thermodynamics and quantum criticality in three-component, strongly attractive Fermi gases.

  18. Tragedy, transformation, and triumph: comparing the factors and forces that led to the adoption of the 1860 Adulteration Act in England and the 1906 Pure Food and Drug Act in the United States.

    Science.gov (United States)

    London, Jillian

    2014-01-01

    The 1860 Adulteration Act in England and the 1906 Pure Food and Drug Act in the United States were two of the earliest pieces of legislation to provide generalized regulation of food and drugs on a national scale. While significant scholarly attention has been given to explaining the factors and forces that led to the passage of each Act independent of the other, few books or articles have directly compared the similar individuals and events that led to the adoption of both Acts. This paper attempts to fill that gap. Through a comparative examination, this paper reveals that four main components were key to the national pure food and drug movements in both countries: individuals who crusaded for national adulteration legislation; tragedies that shocked the public into calling for reform; press and publicity that was willing and able to bring the evils of adulteration to the forefront of the public mind; and a transformation of the social, political, and economic systems, which created atmospheres conducive to reform. This paper aims to shed new light on the 1860 Adulteration Act and the 1906 Pure Food and Drug Act--two acts that derive their importance not just from the effect that they directly had on the regulation of food and drugs but also as some of the earliest examples of western governments coming to recognize the need for national regulation to protect the public from harm and coming to embrace their changing role as spearheads of modern regulatory states.

  19. 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.

  20. DelPhiForce web server: electrostatic forces and energy calculations and visualization.

    Science.gov (United States)

    Li, Lin; Jia, Zhe; Peng, Yunhui; Chakravorty, Arghya; Sun, Lexuan; Alexov, Emil

    2017-11-15

    Electrostatic force is an essential component of the total force acting between atoms and macromolecules. Therefore, accurate calculations of electrostatic forces are crucial for revealing the mechanisms of many biological processes. We developed a DelPhiForce web server to calculate and visualize the electrostatic forces at molecular level. DelPhiForce web server enables modeling of electrostatic forces on individual atoms, residues, domains and molecules, and generates an output that can be visualized by VMD software. Here we demonstrate the usage of the server for various biological problems including protein-cofactor, domain-domain, protein-protein, protein-DNA and protein-RNA interactions. The DelPhiForce web server is available at: http://compbio.clemson.edu/delphi-force. delphi@clemson.edu. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

  1. Evaluation of aerodynamic forces acting on oscillating cantilever beams based on the study of the damped flexural vibration of aluminium test samples

    Science.gov (United States)

    Egorov, A. G.; Kamalutdinov, A. M.; Nuriev, A. N.

    2018-05-01

    The paper is devoted to study of the aerodynamic forces acting on flat cantilever beams performing flexural vibrations in a viscous fluid. Original method for the force evaluation is presented based on analysis of experimental measurements of a logarithmic decrement of vibrations and relative variation in frequency of duralumin test specimens. The theoretical core of the method is based on the classical theory of bending beam oscillations and quasi-two dimensional model of interaction between a beam and a gas. Using the proposed method, extensive series of experiments for a wide range of oscillations parameters were carried out. The processing of the experimental data allowed to establish the global influence of the aerodynamic effects on beam oscillations and the local force characteristics of each cross-section of the beam in the form of universal functions of dimensionless amplitude and dimensionless frequency of oscillation. The obtained estimates of the drag and added mass forces showed a good correspondence with the available numerical and experimental data practically in the entire range of the investigated parameters.

  2. Thermodynamic theory of transport in magnetized plasmas

    International Nuclear Information System (INIS)

    Misguich, J.H.

    1990-10-01

    Transport laws relating thermodynamic flows to forces by means of transport coefficients in a magnetized plasma are derived here from basic plasmadynamics and nonequilibrium thermodynamics. Macroscopic balance equations are derived in the first part, taking into account the energy of relative diffusion between species in an exact way. The resulting plasmadynamical equations appear to be more general than the usual ones. In the second part, the particular features of a two-temperature diffusing plasma are taken into account in deriving the balance equation for the entropy density, the differences with thermodynamics of neutral fluid mixtures or metals are explained. The general expressions obtained for the entropy production rate are used in part III to derive transport laws. Onsager symmetry relations are applied to interrelate crossed transport coefficients. Basic transport coefficients are the electrical conductivity, the thermo-electric coefficient, along with the thermal conductivities and the viscosities for each species. The slight difference between thermo-electric effect and thermo-diffusion is explained. An important resistive thermo-electric effect appears which describes crossed transport coefficients between thermal and electric flows. Because of the anisotropy introduced by the magnetic field, the transport coefficients are tensors, with non diagonal elements associated with the Hall, Nernst and Ettinghausen effects in the plasma. The field geometry and applications to several particular cases are treated explicitly in part IV, namely the neo-classical transport laws. The Ettinghausen effect appears to play an important role in the transport laws for radial electron heat flow and particle flow in confined plasmas. Practical prescriptions are given to apply the Onsager symmetry relations in a correct way

  3. 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.

  4. The new Swiss Energy Act

    International Nuclear Information System (INIS)

    Tami, R.

    1999-01-01

    The new Swiss Energy Act and the accompanying regulation enable the instructions given in the poll by the electorate in 1990 -- the Energy Article in the Swiss Constitution -- to be implemented. The Energy Act creates the necessary basis for an advanced and sustainable energy policy. It should contribute to a sufficient, broadly based, dependable, economical and environment-friendly energy supply. The Energy Act and the Energy Regulation entered into force on January 1, 1999. (author)

  5. Single acting translational/rotational brake

    Science.gov (United States)

    Allred, Johnny W. (Inventor); Fleck, Jr., Vincent J. (Inventor)

    1996-01-01

    A brake system is provided that applies braking forces on surfaces in both the translational and rotational directions using a single acting self-contained actuator that travels with the translational mechanism. The brake engages a mechanical lock and creates a frictional force on the translational structure preventing translation while simultaneously creating a frictional torque that prevents rotation of the vertical support. The system may include serrations on the braking surfaces to provide increased braking forces.

  6. 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...

  7. 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...

  8. 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

  9. Morphology and thermodynamic characteristics of selenium-containing nanostructures based on polymethacrylic acid

    Science.gov (United States)

    Valueva, S. V.; Borovikova, L. N.; Vylegzhanina, M. E.; Sukhanova, T. E.

    2010-09-01

    The morphology and thermodynamic characteristics of nanostructures formed as a result of the reduction of the selenium ion in a selenite-ascorbate redox system in water solutions of polymethacrylic acid were studied by molecular optics and atomic-force microscopy. The dependence of the morphology of the selenium-containing nanostructures on the mass selenium-to-polymer ratio (ν) in solution was determined. It was established that a large number of macromolecules (up to 4300) is adsorbed on the selenium nanoparticles, leading to the formation of nanostructures with super-high molecular mass and an almost spherical form. It was shown that the density of the nanostructures, as calculated on the basis of the experimental data on the size and molecular mass of the nanocomposite, depends substantially on the selenium concentrations in the solution. The thermodynamic state of the solutions of nanostructures is described.

  10. 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

  11. 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.

  12. 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...

  13. 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...

  14. 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.

  15. 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)

  16. Chemical and Thermodynamic Properties at High Temperatures: A Symposium

    Science.gov (United States)

    Walker, Raymond F.

    1961-01-01

    This book contains the program and all available abstracts of the 90' invited and contributed papers to be presented at the TUPAC Symposium on Chemical and Thermodynamic Properties at High Temperatures. The Symposium will be held in conjunction with the XVIIIth IUPAC Congress, Montreal, August 6 - 12, 1961. It has been organized, by the Subcommissions on Condensed States and on Gaseous States of the Commission on High Temperatures and Refractories and by the Subcommission on Experimental Thermodynamics of the Commission on Chemical Thermodynamics, acting in conjunction with the Organizing Committee of the IUPAC Congress. All inquiries concerning participation In the Symposium should be directed to: Secretary, XVIIIth International Congress of Pure and Applied Chemistry, National Research Council, Ottawa, 'Canada. Owing to the limited time and facilities available for the preparation and printing of the book, it has not been possible to refer the proofs of the abstracts to the authors for checking. Furthermore, it has not been possible to subject the manuscripts to a very thorough editorial examination. Some obvious errors in the manuscripts have been corrected; other errors undoubtedly have been introduced. Figures have been redrawn only when such a step was essential for reproduction purposes. Sincere apologies are offered to authors and readers for any errors which remain; however, in the circumstances neither the IUPAC Commissions who organized the Symposium, nor the U. S. Government Agencies who assisted in the preparation of this book can accept responsibility for the errors.

  17. 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.

  18. 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.

  19. Thermodynamic ocean-atmosphere Coupling and the Predictability of Nordeste rainfall

    Science.gov (United States)

    Chang, P.; Saravanan, R.; Giannini, A.

    2003-04-01

    The interannual variability of rainfall in the northeastern region of Brazil, or Nordeste, is known to be very strongly correlated with sea surface temperature (SST) variability, of Atlantic and Pacific origin. For this reason the potential predictability of Nordeste rainfall is high. The current generation of state-of-the-art atmospheric models can replicate the observed rainfall variability with high skill when forced with the observed record of SST variability. The correlation between observed and modeled indices of Nordeste rainfall, in the AMIP-style integrations with two such models (NSIPP and CCM3) analyzed here, is of the order of 0.8, i.e. the models explain about 2/3 of the observed variability. Assuming that thermodynamic, ocean-atmosphere heat exchange plays the dominant role in tropical Atlantic SST variability on the seasonal to interannual time scale, we analyze its role in Nordeste rainfall predictability using an atmospheric general circulation model coupled to a slab ocean model. Predictability experiments initialized with observed December SST show that thermodynamic coupling plays a significant role in enhancing the persistence of SST anomalies, both in the tropical Pacific and in the tropical Atlantic. We show that thermodynamic coupling is sufficient to provide fairly accurate forecasts of tropical Atlantic SST in the boreal spring that are significantly better than the persistence forecasts. The consequences for the prediction of Nordeste rainfall are analyzed.

  20. 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

  1. Fluids with highly directional attractive forces. IV. Equilibrium polymerization

    International Nuclear Information System (INIS)

    Wertheim, M.S.

    1986-01-01

    The author investigates approximation methods for systems of molecules interacting by core repulsion and highly directional attraction due to several attraction sites. The force model chosen imitates a chemical bond by providing for bond saturation when binding occurs. The dense fluid is an equilibrium mixture of s-mers with mutual repulsion. The author uses a previously derived reformulation of statistical thermodynamics in which the particle species are monomeric units with a specified set of attraction sites bonded. Thermodynamic perturbation theory (TPT) and integral equations of two types are derived. The use of TPT is illustrated by explicit calculation for a molecular model with two attraction sites capable of forming chain and ring polymers. Successes and defects of TPT are discussed. The integral equations for pair correlations between particles of specified bonding include calculation of self-consistent densities of species. Methods of calculating thermodynamic properties from the solutions of integral equations are given

  2. Numerical analysis of hydrodynamic forces acting on vertical lift gates; Analise dos esforcos hidrodinamicas em comportas hidraulicas

    Energy Technology Data Exchange (ETDEWEB)

    Andrade, Jell Lima de [Mecanica Pesada S.A., Taubate, SP (Brazil); Amorim, Jose Carlos Cesar [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil)]. E-mail: jcamorim@ime.eb.br

    1997-07-01

    A numerical analysis has been developed for calculating viscous flows controlled by a vertical lift gate and hydrodynamic forces acting on it. The numerical solution is obtained from the incompressible Navier-Stoles equations. The numerical techniques is based on a finite element method. A Poisson equation is derived from the pressure-weighted substitution of the full momentum equations into the continuity equation. Turbulence effects are simulated by a K-{epsilon} turbulence model. The procedure developed here is applied for a vertical lift gate operating in a CESP installation, and the results are compared with available experimental data at various opening positions. Good agreement is obtained for the velocity and pressure distributions. (author)

  3. Ehrenfest force in inhomogeneous magnetic field

    International Nuclear Information System (INIS)

    Sisakyan, A.N.; Shevchenko, O.Yu.; Samojlov, V.N.

    2000-01-01

    The Ehrenfest force in an inhomogeneous magnetic field is calculated. It is shown that there exist such (very rare) topologically nontrivial physical situations when the Gauss theorem in its classic formulation fails and, as a consequence, apart from the usual Lorentz force an additional, purely imaginary force acts on the charged particle. This force arises only in inhomogeneous magnetic fields of special configurations, has a purely quantum origin, and disappears in the classical limit

  4. Thermal creep force: analysis and application

    OpenAIRE

    Wolfe, David M.

    2016-01-01

    Approved for public release; distribution is unlimited The existence of two motive forces on a Crookes radiometer has complicated the investigation of either force independently. The thermal creep shear force, in particular, has been subject to differing interpretations of the direction in which it acts and its order of magnitude. A horizontal vane radiometer design is provided, which isolates the thermal creep shear force. The horizontal vane radiometer is explored through experiment, kin...

  5. 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

  6. Thermodynamics inducing massive particles' tunneling and cosmic censorship

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Baocheng [Chinese Academy of Sciences, State Key Laboratory of Magnetic Resonances and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Wuhan (China); Graduate University of Chinese Academy of Sciences, Beijing (China); Cai, Qing-yu [Chinese Academy of Sciences, State Key Laboratory of Magnetic Resonances and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Wuhan (China); Zhan, Ming-sheng [Chinese Academy of Sciences, State Key Laboratory of Magnetic Resonances and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Wuhan (China); Chinese Academy of Sciences, Center for Cold Atom Physics, Wuhan (China)

    2010-08-15

    By calculating the change of entropy, we prove that the first law of black hole thermodynamics leads to the tunneling probability of massive particles through the horizon, including the tunneling probability of massive charged particles from the Reissner-Nordstroem black hole and the Kerr-Newman black hole. Novelly, we find the trajectories of massive particles are close to that of massless particles near the horizon, although the trajectories of massive charged particles may be affected by electromagnetic forces. We show that Hawking radiation as massive particles tunneling does not lead to violation of the weak cosmic-censorship conjecture. (orig.)

  7. 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)

  8. 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.

  9. A thermodynamic model for the attack behaviour in stainless steel clad oxide fuel pins

    International Nuclear Information System (INIS)

    Goetzmann, O.

    1979-01-01

    So far, post irradiation examination of burnt fuel pins has not revealed a clear cut picture of the cladding attack situation. For seemingly same conditions sometimes attack occurs, sometimes not. This model tries to depict the reaction possibilities along the inner cladding wall on the basis of thermodynamic facts in the fuel pin. It shows how the thermodynamic driving force for attack changes along the fuel column, and with different initial and operational conditions. Two criteria for attack are postulated: attack as a result of the direct reaction of reactive elements with cladding components; and attack as a result of the action of a special agent (CsOH). In defining a reaction potenial the oxygen potential, the temperature conditions (cladding temperature and fuel surface temperature), and the fission products are involved. For the determination of the oxygen potential at the cladding, three models for the redistribution of oxygen across the fuel/clad gap are offered. The effect of various parameters, like rod power, gap conductance, oxygen potential, inner wall temperature, on the thermodynamic potential for attack is analysed. (Auth.)

  10. Thermodynamic basis for evolution of apatite in calcified tissues (Invited)

    Science.gov (United States)

    Navrotsky, A.; Drouet, C.; Rollin-Martinet, S.; Champion, E.; Grossin, D.

    2013-12-01

    Bone remodeling and tooth enamel maturation are biological processes which alter the physico-chemical features of biominerals with time. However, although the ubiquity of bone remodeling is clear, why is well crystallized bone mineral systematically replaced by immature nanocrystalline inorganic material? In enamel, a clear evolution is also seen from the first mineral formed during the secretory stage to its mature well crystalline form, which then changes little in the adult tooth. This contribution provides the thermodynamic basis underlying these biological processes. We determined the energetics of biomimetic apatites corresponding to an increasing degree of maturation. Our data point out the progressive evolution of the enthalpy (ΔHf°) and free energy (ΔGf°) of formation toward more negative values upon maturation. Entropy contributions to ΔGf° values are small compared to enthalpy contributions. ΔHf° varies from -12058.9 × 12.2 to -12771.0 × 21.4 kJ/mol for maturation times increasing from 20 min to 3 weeks, approaching the value for stoichiometric hydroxyapatite, -13431.0 × 22.7 kJ/mol. Apatite thermodynamic stability increases as its composition moved toward stoichiometry. These findings imply diminishing aqueous solubility of calcium and phosphate ions as well as decreased surface reactivity. Such thermodynamically-driven maturation is favorable for enamel maturation since this biomineral must resist external aggressions such as contact with acids. In contrast, maintaining a metastable highly reactive and soluble form of apatite is essential to the effective participation of bone as a source of calcium and phosphate for homeostasis. Therefore our data strongly suggest that, far from being trivial, the intrinsic thermodynamic properties of apatite represent a critical driving force for continuous bone remodeling, in contrast to current views favoring a purely biologically driven cycle. These thermodynamic data may prove helpful in other domains

  11. Medição precisa das forças de aceleração em cabos Precise measurement of acceleration forces acting on cables

    Directory of Open Access Journals (Sweden)

    Edgar Moraes do Nascimento

    1986-10-01

    Full Text Available Certos problemas do uso do cinto de segurança ainda não foram resolvidos, sendo importante a determinação precisa das forças nos cabos. Existem vários métodos que, da maneira que são aplicados, são de pouca precisão. Com o objetivo de suspender essa imprecisão são apresentados três métodos e aperfeiçoado um outro de determinação da força exercida no cabo. Um desses métodos aplica-se a países subdesenvolvidos.Certain problems related to the use of safety belts remain unsolved, important among them being the exact determination of forces acting on cables. Various methods of calculation, severely limited because of the way in which they are applied, are presented. Three methods with a view to surpassing these limits are presented and another for the calculation of the forces acting on a cable is perfected. One of these methods is applicable in developing countries.

  12. 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...

  13. Thermodynamic parameters and transport coefficients of the U-C-F gas mixture in the steady flow gaseous core fission reactor

    International Nuclear Information System (INIS)

    Berg, M.S. van den.

    1995-01-01

    Thermodynamic parameters and transport coefficients have been calculated for a multicomponent reacting U-C-F gas mixture in the steady flow gaseous core fission reactor. Element abundances are consistent with thermodynamic equilibrium between the gas mixture and a cooled solid graphite wall at 2500 K. Results are presented for various pressures, a fluorine potential of 5.6 and temperatures between 2500 and 7000 K. As a result of dissociation processes of uranium and carbon fluoride compounds, ''effective'' values of thermodynamic parameters and transport coefficients show anomalous behaviour with respect to so-called ''frozen'' values. The chemical reaction energy of the U-C-F gas mixture has been calculated as the driving-force behind the process of fuel redistribution to attain criticality conditions inside a functioning reactor. (author)

  14. Repulsive Casimir-Polder forces from cosmic strings

    International Nuclear Information System (INIS)

    Saharian, A.A.; Kotanjyan, A.S.

    2011-01-01

    We investigate the Casimir-Polder force acting on a polarizable microparticle in the geometry of a straight cosmic string. In order to develop this analysis we evaluate the electromagnetic field Green tensor on the imaginary frequency axis. The expression for the Casimir-Polder force is derived in the general case of anisotropic polarizability. In dependence on the eigenvalues for the polarizability tensor and of the orientation of its principal axes, the Casimir-Polder force can be either repulsive or attractive. Moreover, there are situations where the force changes the sign with separation. We show that for an isotropic polarizability tensor the force is always repulsive. At large separations between the microparticle and the string, the force varies inversely with the fifth power of the distance. In the non-retarded regime, corresponding to separations smaller than the relevant transition wavelengths, the force decays with the inverse fourth power of the distance. In the case of anisotropic polarizability, the dependence of the Casimir-Polder potential on the orientation of the polarizability tensor principal axes also leads to a moment of force acting on the particle. (orig.)

  15. Random three-dimensional jammed packings of elastic shells acting as force sensors

    Science.gov (United States)

    Jose, Jissy; van Blaaderen, Alfons; Imhof, Arnout

    2016-06-01

    In a jammed solid of granular particles, the applied stress is in-homogeneously distributed within the packing. A full experimental characterization requires measurement of all the interparticle forces, but so far such measurements are limited to a few systems in two and even fewer in three dimensions. Particles with the topology of (elastic) shells are good local force sensors as relatively large deformations of the shells result from relatively small forces. We recently introduced such fluorescent shells as a model granular system in which force distributions can be determined in three dimensions using confocal microscopy and quantitative image analysis. An interesting aspect about these shells that differentiates them from other soft deformable particles is their buckling behavior at higher compression. This leads to deformations that do not conserve the inner volume of the particle. Here we use this system to accurately measure the contact forces in a three-dimensional packing of shells subjected to a static anisotropic compression and to shear. At small deformations forces are linear, however, for a buckled contact, the restoring force is related to the amount of deformation by a square root law, as follows from the theory of elasticity of shells. Near the unjamming-jamming transition (point J ), we found the probability distribution of the interparticle forces P (f ) to decay nearly exponentially at large forces, with little evidence of long-range force chains in the packings. As the packing density is increased, the tail of the distribution was found to crossover to a Gaussian, in line with other experimental and simulation studies. Under a small shear strain, up to 0.216, applied at an extremely low shear rate, we observed a shear-induced anisotropy in both the pair correlation function and contact force network; however, no appreciable change was seen in the number of contacts per particle.

  16. Facial expressions and speech acts: experimental evidences on the role of the upper face as an illocutionary force indicating device in language comprehension.

    Science.gov (United States)

    Domaneschi, Filippo; Passarelli, Marcello; Chiorri, Carlo

    2017-08-01

    Language scientists have broadly addressed the problem of explaining how language users recognize the kind of speech act performed by a speaker uttering a sentence in a particular context. They have done so by investigating the role played by the illocutionary force indicating devices (IFIDs), i.e., all linguistic elements that indicate the illocutionary force of an utterance. The present work takes a first step in the direction of an experimental investigation of non-verbal IFIDs because it investigates the role played by facial expressions and, in particular, of upper-face action units (AUs) in the comprehension of three basic types of illocutionary force: assertions, questions, and orders. The results from a pilot experiment on production and two comprehension experiments showed that (1) certain upper-face AUs seem to constitute non-verbal signals that contribute to the understanding of the illocutionary force of questions and orders; (2) assertions are not expected to be marked by any upper-face AU; (3) some upper-face AUs can be associated, with different degrees of compatibility, with both questions and orders.

  17. Thermodynamic properties of bcc crystals at high temperatures: The transition metals

    International Nuclear Information System (INIS)

    MacDonald, R.A.; Shukla, R.C.

    1985-01-01

    The second-neighbor central-force model of a bcc crystal, previously used in lowest-order anharmonic perturbation theory to calculate the thermodynamic properties of the alkali metals, is here applied to the transition metals V, Nb, Ta, Mo, and W. The limitations of the model are apparent in the thermal-expansion results, which fall away from the experimental trend above about 1800 K. The specific heat similarly fails to exhibit the sharp rise that is observed at higher temperatures. A static treatment of vacancies cannot account for the difference between theory and experiment. The electrons have been taken into account by using a model that specifically includes d-band effects in the electron ground-state energy. The results thus obtained for the bulk moduli are quite satisfactory. In the light of these results, we discuss the prerequisites for a better treatment of metals when the electrons play an important role in determining the thermodynamic properties

  18. Induced forces in the gravitational field

    International Nuclear Information System (INIS)

    Voracek, P.

    1979-01-01

    In this paper the expression for the magnitude of the so-called induced force, acting on a mass particle, is deduced. The origin of this force is causally connected to the increase of the rest mass of the particle in the gravitational field. (orig.)

  19. Force measuring valve assemblies, systems including such valve assemblies and related methods

    Science.gov (United States)

    DeWall, Kevin George [Pocatello, ID; Garcia, Humberto Enrique [Idaho Falls, ID; McKellar, Michael George [Idaho Falls, ID

    2012-04-17

    Methods of evaluating a fluid condition may include stroking a valve member and measuring a force acting on the valve member during the stroke. Methods of evaluating a fluid condition may include measuring a force acting on a valve member in the presence of fluid flow over a period of time and evaluating at least one of the frequency of changes in the measured force over the period of time and the magnitude of the changes in the measured force over the period of time to identify the presence of an anomaly in a fluid flow and, optionally, its estimated location. Methods of evaluating a valve condition may include directing a fluid flow through a valve while stroking a valve member, measuring a force acting on the valve member during the stroke, and comparing the measured force to a reference force. Valve assemblies and related systems are also disclosed.

  20. 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.

  1. 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.

  2. Thermodynamics of inclusion formation and its influence on the corrosion behavior of Cu bearing duplex stainless steels

    International Nuclear Information System (INIS)

    Jeon, Soon-Hyeok; Kim, Soon-Tae; Lee, In-Sung; Park, Yong-Soo; Park, Joo-Hyun; Kim, Kwang-Tae; Kim, Ji-Soo

    2011-01-01

    To elucidate the thermodynamics of inclusion formation and its influence on the corrosion behavior of Cu bearing duplex stainless steels, potentiodynamic and potentiostatic polarization tests, a SEM-EDS analysis of inclusions, and thermodynamic calculations of the formation of inclusions were carried out. While the resistance to general corrosion of the noble copper contained alloy-1.5Cu in a deaerated 2 M H 2 SO 4 was higher than that of the alloy-BASE, the resistance to pitting corrosion of copper contained alloy-1.5Cu in a deaerated 0.5 N HCl + 1 N NaCl and 30 mass% NaCl was lower than that of the alloy-BASE due to an increase of interface areas between inclusions and matrix acting as preferential pit initiation sites. The thermodynamic calculation for the formation of Cr-containing oxide inclusions was in good agreement with the experimental results. (author)

  3. Dispersion forces in micromechanics: Casimir and Casimir-Polder forces affected by geometry and non-zero temperature

    Energy Technology Data Exchange (ETDEWEB)

    Ellingsen, Simen Andreas Aadnoey

    2011-01-15

    The present thesis focuses on several topics within three separate but related branches of the overall field of dispersion forces. The three branches are: temperature corrections to the Casimir force between real materials (Part 1), explicit calculation of Casimir energy in wedge geometries (Part 2), and Casimir-Polder forces on particles out of thermal equilibrium (Part 3). Part 1 deals primarily with analysis of a previously purported thermodynamic inconsistency in the Casimir-Lifshitz free energy of the interaction of two plane mirrors - violation of the third law of thermodynamics - when the latter's dielectric response is described with dissipative models. It is shown analytically and numerically that the Casimir entropy of the interaction between two metallic mirrors described by the Drude model does tend to zero at zero temperature, provided electronic relaxation does not vanish. The leading order terms at low temperature are found. A similar calculation is carried out for the interaction of semiconductors with small but non-zero DC conductivity. In a generalisation, it is shown that a violation of the third law can only occur for permittivities whose low-frequency behaviour is temperature dependent near zero temperature. A calculation using path integral methods shows that the low temperature behaviour of the interaction of fluctuating Foucault currents in two mirrors of Drude metal is identical to that of the full Casimir-Lifshitz free energy, reasserting a previous finding by Intravaia and Henkel that such fluctuating bulk currents are the physical reason for the anomalous entropy behaviour. In a related effort, an analysis of the frequency dependence of the Casimir force by Ford is generalised to imperfectly reflecting mirrors. A paradox is pointed out, in that the effects of a perturbation of the reflecting properties of the mirrors in a finite frequency window can be calculated in two ways giving different results. It is concluded that optimistic

  4. Entropy and black-hole thermodynamics

    International Nuclear Information System (INIS)

    Wald, R.M.

    1979-01-01

    The concept of entropy is examined with an eye toward gaining insight into the nature of black-hole thermodynamics. Definitions of entropy are given for ordinary classical and quantum-mechanical systems which lead to plausibility arguments for the ordinary laws of thermodynamics. The treatment of entropy for a classical system is in the spirit of the information-theory viewpoint, but by explicitly incorporating the coarse-grained observable into the definition of entropy, we eliminate any nonobjective features. The definition of entropy for a quantum-mechanical system is new, but directly parallels the classical treatment. We then apply these ideas to a self-gravitating quantum system which contains a black hole. Under some assumptions: which, although nontrivial, are by no means exotic: about the nature of such a system, it is seen that the same plausibility arguments which lead to the ordinary laws of thermodynamics for ordinary systems now lead to the laws of black-hole mechanics, including the generalized second law of thermodynamics. Thus, it appears perfectly plausible that black-hole thermodynamics is nothing more than ordinary thermodynamics applied to a self-gravitating quantum system

  5. Thermodynamic properties of cryogenic fluids

    CERN Document Server

    Leachman, Jacob; Lemmon, Eric; Penoncello, Steven

    2017-01-01

    This update to a classic reference text provides practising engineers and scientists with accurate thermophysical property data for cryogenic fluids. The equations for fifteen important cryogenic fluids are presented in a basic format, accompanied by pressure-enthalpy and temperature-entropy charts and tables of thermodynamic properties. It begins with a chapter introducing the thermodynamic relations and functional forms for equations of state, and goes on to describe the requirements for thermodynamic property formulations, needed for the complete definition of the thermodynamic properties of a fluid. The core of the book comprises extensive data tables and charts for the most commonly-encountered cryogenic fluids. This new edition sees significant updates to the data presented for air, argon, carbon monoxide, deuterium, ethane, helium, hydrogen, krypton, nitrogen and xenon. The book supports and complements NIST’s REFPROP - an interactive database and tool for the calculation of thermodynamic propertie...

  6. The Energy Act 1983

    International Nuclear Information System (INIS)

    1983-01-01

    Part II of This Act came into force on 1 September 1983 and is concerned with nuclear installations. Its main purpose is to amend the Nuclear Installations Act 1965 to give effect to the provisions of two Protocols amending the Paris Convention on nuclear third party liability and the Brussels Convention Supplementary to the Paris Convention respectively. The principal effect of these modifications is to increase the sums available to meet claims for nuclear damage. The United Kingdom is a Party to both Conventions and the provisions of the 1983 Act will enable it to ratify the Protocols. (NEA) [fr

  7. Thermodynamics and statistical mechanics. [thermodynamic properties of gases

    Science.gov (United States)

    1976-01-01

    The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

  8. How and why kinetics, thermodynamics, and chemistry induce the logic of biological evolution

    Directory of Open Access Journals (Sweden)

    Addy Pross

    2017-04-01

    Full Text Available Thermodynamic stability, as expressed by the Second Law, generally constitutes the driving force for chemical assembly processes. Yet, somehow, within the living world most self-organisation processes appear to challenge this fundamental rule. Even though the Second Law remains an inescapable constraint, under energy-fuelled, far-from-equilibrium conditions, populations of chemical systems capable of exponential growth can manifest another kind of stability, dynamic kinetic stability (DKS. It is this stability kind based on time/persistence, rather than on free energy, that offers a basis for understanding the evolutionary process. Furthermore, a threshold distance from equilibrium, leading to irreversibility in the reproduction cycle, is needed to switch the directive for evolution from thermodynamic to DKS. The present report develops these lines of thought and argues against the validity of a thermodynamic approach in which the maximisation of the rate of energy dissipation/entropy production is considered to direct the evolutionary process. More generally, our analysis reaffirms the predominant role of kinetics in the self-organisation of life, which, in turn, allows an assessment of semi-quantitative constraints on systems and environments from which life could evolve.

  9. Theoretical physics 5 thermodynamics

    CERN Document Server

    Nolting, Wolfgang

    2017-01-01

    This concise textbook offers a clear and comprehensive introduction to thermodynamics, one of the core components of undergraduate physics courses. It follows on naturally from the previous volumes in this series, defining macroscopic variables, such as internal energy, entropy and pressure,together with thermodynamic principles. The first part of the book introduces the laws of thermodynamics and thermodynamic potentials. More complex themes are covered in the second part of the book, which describes phases and phase transitions in depth. Ideally suited to undergraduate students with some grounding in classical mechanics, the book is enhanced throughout with learning features such as boxed inserts and chapter summaries, with key mathematical derivations highlighted to aid understanding. The text is supported by numerous worked examples and end of chapter problem sets. About the Theoretical Physics series Translated from the renowned and highly successful German editions, the eight volumes of this series cove...

  10. Microsecond simulations of the folding/unfolding thermodynamics of the Trp-cage mini protein

    Science.gov (United States)

    Day, Ryan; Paschek, Dietmar; Garcia, Angel E.

    2012-01-01

    We study the unbiased folding/unfolding thermodynamics of the Trp-cage miniprotein using detailed molecular dynamics simulations of an all-atom model of the protein in explicit solvent, using the Amberff99SB force field. Replica-exchange molecular dynamics (REMD) simulations are used to sample the protein ensembles over a broad range of temperatures covering the folded and unfolded states, and at two densities. The obtained ensembles are shown to reach equilibrium in the 1 μs per replica timescale. The total simulation time employed in the calculations exceeds 100 μs. Ensemble averages of the fraction folded, pressure, and energy differences between the folded and unfolded states as a function of temperature are used to model the free energy of the folding transition, ΔG(P,T), over the whole region of temperature and pressures sampled in the simulations. The ΔG(P,T) diagram describes an ellipse over the range of temperatures and pressures sampled, predicting that the system can undergo pressure induced unfolding and cold denaturation at low temperatures and high pressures, and unfolding at low pressures and high temperatures. The calculated free energy function exhibits remarkably good agreement with the experimental folding transition temperature (Tf = 321 K), free energy and specific heat changes. However, changes in enthalpy and entropy are significantly different than the experimental values. We speculate that these differences may be due to the simplicity of the semi-empirical force field used in the simulations and that more elaborate force fields may be required to describe appropriately the thermodynamics of proteins. PMID:20408169

  11. The Hydrological Sensitivity to Global Warming and Solar Geoengineering Derived from Thermodynamic Constraints

    Energy Technology Data Exchange (ETDEWEB)

    Kleidon, Alex; Kravitz, Benjamin S.; Renner, Maik

    2015-01-16

    We derive analytic expressions of the transient response of the hydrological cycle to surface warming from an extremely simple energy balance model in which turbulent heat fluxes are constrained by the thermodynamic limit of maximum power. For a given magnitude of steady-state temperature change, this approach predicts the transient response as well as the steady-state change in surface energy partitioning and the hydrologic cycle. We show that the transient behavior of the simple model as well as the steady state hydrological sensitivities to greenhouse warming and solar geoengineering are comparable to results from simulations using highly complex models. Many of the global-scale hydrological cycle changes can be understood from a surface energy balance perspective, and our thermodynamically-constrained approach provides a physically robust way of estimating global hydrological changes in response to altered radiative forcing.

  12. 32 CFR 806b.4 - Privacy Act complaints.

    Science.gov (United States)

    2010-07-01

    ... be identified, the local Privacy Act officer will assume these duties. Issues that cannot be resolved... 32 National Defense 6 2010-07-01 2010-07-01 false Privacy Act complaints. 806b.4 Section 806b.4 National Defense Department of Defense (Continued) DEPARTMENT OF THE AIR FORCE ADMINISTRATION PRIVACY ACT...

  13. Thermodynamic Description of Synergy in Solvent Extraction: II Thermodynamic Balance of Driving Forces Implied in Synergistic Extraction.

    Science.gov (United States)

    Rey, J; Bley, M; Dufrêche, J-F; Gourdin, S; Pellet-Rostaing, S; Zemb, T; Dourdain, S

    2017-11-21

    In the second part of this study, we analyze the free energy of transfer in the case of synergistic solvent extraction. This free energy of the transfer of an ion in dynamic equilibrium between two coexisting phases is decomposed into four driving forces combining long-range interactions with the classical complexation free energy associated with the nearest neighbors. We demonstrate how the organometallic complexation is counterbalanced by the cost in free energy related to structural change on the colloidal scale in the solvent phase. These molecular forces of synergistic extraction are driven not only by the entropic term associated with the tight packing of electrolytes in the solvent and by the free energy cost of coextracting water toward the hydrophilic core of the reverse aggregates present but also by the entropic costs in the formation of the reverse aggregate and by the interfacial bending energy of the extractant molecules packed around the extracted species. Considering the sum of the terms, we can rationalize the synergy observed, which cannot be explained by classical extraction modeling. We show an industrial synergistic mixture combining an amide and a phosphate complexing site, where the most efficient/selective mixture is observed for a minimal bending energy and maximal complexation energy.

  14. Thermodynamic optimization of the Cu-Nd system

    International Nuclear Information System (INIS)

    Wang Peisheng; Zhou Liangcai; Du Yong; Xu Honghui; Liu Shuhong; Chen Li; Ouyang Yifang

    2011-01-01

    Research highlights: → The enthalpies of formation of the compounds Cu 6 Nd, Cu 5 Nd, Cu 2 Nd and αCuNd were calculated using DFT. → The thermodynamic constraints to eliminate the artificial phase relations were imposed during the thermodynamic optimization procedure. → The Cu-Nd system was optimized under the thermodynamic constraints. - Abstract: The thermodynamic constraints to eliminate artificial phase relations were introduced with the Cu-Nd system as an example. The enthalpies of formation of the compounds Cu 6 Nd, Cu 5 Nd, Cu 2 Nd and αCuNd are calculated using density functional theory. Taking into account all the experimental data and the first-principles calculated enthalpies of formation of these compounds, the thermodynamic optimization of the Cu-Nd system was performed under the proposed thermodynamic constraints. It is demonstrated that the thermodynamic constraints are critical to obtain a set of thermodynamic parameters for the Cu-Nd system, which can avoid the appearance of all the artificial phase relations.

  15. Possible extended forms of thermodynamic entropy

    International Nuclear Information System (INIS)

    Sasa, Shin-ichi

    2014-01-01

    Thermodynamic entropy is determined by a heat measurement through the Clausius equality. The entropy then formalizes a fundamental limitation of operations by the second law of thermodynamics. The entropy is also expressed as the Shannon entropy of the microscopic degrees of freedom. Whenever an extension of thermodynamic entropy is attempted, we must pay special attention to how its three different aspects just mentioned are altered. In this paper, we discuss possible extensions of the thermodynamic entropy. (paper)

  16. Thermodynamics of statistical inference by cells.

    Science.gov (United States)

    Lang, Alex H; Fisher, Charles K; Mora, Thierry; Mehta, Pankaj

    2014-10-03

    The deep connection between thermodynamics, computation, and information is now well established both theoretically and experimentally. Here, we extend these ideas to show that thermodynamics also places fundamental constraints on statistical estimation and learning. To do so, we investigate the constraints placed by (nonequilibrium) thermodynamics on the ability of biochemical signaling networks to estimate the concentration of an external signal. We show that accuracy is limited by energy consumption, suggesting that there are fundamental thermodynamic constraints on statistical inference.

  17. Macroscopic QED in linearly responding media and a Lorentz-Force approach to dispersion forces

    Energy Technology Data Exchange (ETDEWEB)

    Raabe, Christian

    2008-07-08

    In this thesis, a very general quantization scheme for the macroscopic electromagnetic field in arbitrary linearly responding media is presented. It offers a unified approach to QED in such media. Applying the quantization scheme, a theory of the dispersion forces on the basis of the Lorentz force is developed. By regarding the dispersion force as the (ground-state or thermal-state) expectation value of the Lorentz force that acts on appropriately defined charge and current densities, Casimir, Casimir-Polder, and van der Waals forces are united in a very natural way that makes transparent their common physical basis. Application of the theory to planar structures yields generalizations of well-known Lifschitz and Casimir-type formulas. (orig.)

  18. Macroscopic QED in linearly responding media and a Lorentz-Force approach to dispersion forces

    International Nuclear Information System (INIS)

    Raabe, Christian

    2008-01-01

    In this thesis, a very general quantization scheme for the macroscopic electromagnetic field in arbitrary linearly responding media is presented. It offers a unified approach to QED in such media. Applying the quantization scheme, a theory of the dispersion forces on the basis of the Lorentz force is developed. By regarding the dispersion force as the (ground-state or thermal-state) expectation value of the Lorentz force that acts on appropriately defined charge and current densities, Casimir, Casimir-Polder, and van der Waals forces are united in a very natural way that makes transparent their common physical basis. Application of the theory to planar structures yields generalizations of well-known Lifschitz and Casimir-type formulas. (orig.)

  19. Microbial diversity arising from thermodynamic constraints

    Science.gov (United States)

    Großkopf, Tobias; Soyer, Orkun S

    2016-01-01

    The microbial world displays an immense taxonomic diversity. This diversity is manifested also in a multitude of metabolic pathways that can utilise different substrates and produce different products. Here, we propose that these observations directly link to thermodynamic constraints that inherently arise from the metabolic basis of microbial growth. We show that thermodynamic constraints can enable coexistence of microbes that utilise the same substrate but produce different end products. We find that this thermodynamics-driven emergence of diversity is most relevant for metabolic conversions with low free energy as seen for example under anaerobic conditions, where population dynamics is governed by thermodynamic effects rather than kinetic factors such as substrate uptake rates. These findings provide a general understanding of the microbial diversity based on the first principles of thermodynamics. As such they provide a thermodynamics-based framework for explaining the observed microbial diversity in different natural and synthetic environments. PMID:27035705

  20. Microbial diversity arising from thermodynamic constraints.

    Science.gov (United States)

    Großkopf, Tobias; Soyer, Orkun S

    2016-11-01

    The microbial world displays an immense taxonomic diversity. This diversity is manifested also in a multitude of metabolic pathways that can utilise different substrates and produce different products. Here, we propose that these observations directly link to thermodynamic constraints that inherently arise from the metabolic basis of microbial growth. We show that thermodynamic constraints can enable coexistence of microbes that utilise the same substrate but produce different end products. We find that this thermodynamics-driven emergence of diversity is most relevant for metabolic conversions with low free energy as seen for example under anaerobic conditions, where population dynamics is governed by thermodynamic effects rather than kinetic factors such as substrate uptake rates. These findings provide a general understanding of the microbial diversity based on the first principles of thermodynamics. As such they provide a thermodynamics-based framework for explaining the observed microbial diversity in different natural and synthetic environments.

  1. Thermodynamics for Chemists, Physicists and Engineers

    CERN Document Server

    Hołyst, Robert

    2012-01-01

    Thermodynamics is an essential part of chemical physics and is of fundamental importance in physics, chemistry and engineering courses. This textbook takes an interdisciplinary approach to the subject and is therefore suitable for undergraduates in all those courses. The book is an introduction to phenomenological thermodynamics and its applications to phase transitions and chemical reactions, with some references to statistical mechanics. It strikes the balance between the rigorousness of the Callen text and phenomenological approach of the Atkins text. The book is divided in three parts. The first introduces the postulates and laws of thermodynamics and complements these initial explanations with practical examples. The second part is devoted to applications of thermodynamics to phase transitions in pure substances and mixtures. The third part covers thermodynamic systems in which chemical reactions take place. There are some sections on more advanced topics such as thermodynamic potentials, natural variabl...

  2. 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

  3. Wind and Current Forces Acting on Canadian Forces Ships During Tug Operations

    Science.gov (United States)

    2002-11-01

    McTaggart and Sav- age [1] describe model tests conducted on a generic frigate model to determine wind forces influencing ship capsize. Van Manen and van ...Fn will be 0.06. Based on data presented by van Manen and van Oossanen [2], the fric- tional resistance coefficient will be approximately 0.002 and...Conference on Stability of Ships and Ocean Vehicles (Melbourne, Florida, 1994). 2. J.D. van Manen and P. van Oossanen, Principles of Naval Architecture, Volume

  4. On thermodynamic and microscopic reversibility

    International Nuclear Information System (INIS)

    Crooks, Gavin E

    2011-01-01

    The word 'reversible' has two (apparently) distinct applications in statistical thermodynamics. A thermodynamically reversible process indicates an experimental protocol for which the entropy change is zero, whereas the principle of microscopic reversibility asserts that the probability of any trajectory of a system through phase space equals that of the time reversed trajectory. However, these two terms are actually synonymous: a thermodynamically reversible process is microscopically reversible, and vice versa

  5. Misuse of thermodynamic entropy in economics

    International Nuclear Information System (INIS)

    Kovalev, Andrey V.

    2016-01-01

    The direct relationship between thermodynamic entropy and economic scarcity is only valid for a thermodynamically isolated economy. References to the second law of thermodynamics in economics within the context of scarcity ignore the fact that the earth is not an isolated system. The earth interacts with external sources and sinks of entropy and the resulting total entropy fluctuates around a constant. Even if the mankind finally proves unable to recycle industrial waste and close the technological cycle, the economic disruption caused by the depletion of natural resources may happen while the total thermodynamic entropy of the ecosystem remains essentially at the present level, because the transfer of chemically refined products may not increase significantly the total entropy, but it may decrease their recyclability. The inutility of industrial waste is not connected with its entropy, which may be exemplified with the case of alumina production. The case also demonstrates that industrially generated entropy is discharged into surroundings without being accumulated in ‘thermodynamically unavailable matter’. Material entropy, as a measure of complexity and economic dispersal of resources, can be a recyclability metric, but it is not a thermodynamic parameter, and its growth is not equivalent to the growth of thermodynamic entropy. - Highlights: • Entropy cannot be used as a measure of economic scarcity. • There is no anthropogenic entropy separate from the entropy produced naturally. • Inutility of industrial waste is not connected with its thermodynamic entropy. • Industrially generated entropy may or may not be accumulated in industrial waste. • Recyclability is more important than thermodynamic entropy of a product.

  6. Thermodynamics of an accelerated expanding universe

    International Nuclear Information System (INIS)

    Wang Bin; Gong Yungui; Abdalla, Elcio

    2006-01-01

    We investigate the laws of thermodynamics in an accelerating universe driven by dark energy with a time-dependent equation of state. In the case we consider that the physically relevant part of the Universe is that enveloped by the dynamical apparent horizon, we have shown that both the first law and second law of thermodynamics are satisfied. On the other hand, if the boundary of the Universe is considered to be the cosmological event horizon the thermodynamical description based on the definitions of boundary entropy and temperature breaks down. No parameter redefinition can rescue the thermodynamics laws from such a fate, rendering the cosmological event horizon unphysical from the point of view of the laws of thermodynamics

  7. Application of Statistical Thermodynamics in Refrigeration

    International Nuclear Information System (INIS)

    Avsec, J.; Marcic, M.

    1999-01-01

    The paper presents the mathematical model for computing the thermodynamical properties in the liquid, gas and two-phase domain by means of statistical thermodynamics. The paper features all important components (translation, rotation, internal rotation, vibration, intermolecular potential energy and influence of electron and nuclei excitation). To calculate the thermodynamic properties of real gases, we have developed the cluster theory, which yields better results than the virial equation. In case of real liquids, the Johnson-Zollweg-Gubbins model based on the modified Benedict-Webb-Rubin (BWR) equation was applied. The Lennard-Jones intermolecular potential was used. The analytical results are compared with the thermodynamical data and models obtained from classical thermodynamics, and they show relatively good agreement. (author)

  8. 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

  9. Workshop on Teaching Thermodynamics

    CERN Document Server

    1985-01-01

    It seemed appropriate to arrange a meeting of teachers of thermodynamics in the United Kingdom, a meeting held in the pleasant surroundings of Emmanuel College, Cambridge, in Sept~mber, 1984. This volume records the ideas put forward by authors, the discussion generated and an account of the action that discussion has initiated. Emphasis was placed on the Teaching of Thermodynamics to degree-level students in their first and second years. The meeting, a workshop for practitioners in which all were expected to take part, was remarkably well supported. This was notable in the representation of essentially every UK university and polytechnic engaged in teaching engineering thermodynamics and has led to a stimulating spread of ideas. By intention, the emphasis for attendance was put on teachers of engineering concerned with thermodynamics, both mechanical and chemical engineering disciplines. Attendance from others was encouraged but limited as follows: non-engineering acad­ emics, 10%, industrialists, 10%. The ...

  10. Development of a Phasor Diagram Creator to Visualize the Piston and Displacer Forces in an Advanced Stirling Convertor

    Science.gov (United States)

    Saha, Dipanjan; Lewandowski, Edward J.

    2013-01-01

    The steady state, nearly sinusoidal behavior of the components in a Free Piston Stirling Engine allows for visualization of the forces in the system using phasor diagrams. Based on Newton's second law, F=ma, any phasor diagrams modeling a given component in a system should close if all of the acting forces have been considered. Since the Advanced Stirling Radioisotope Generator (ASRG), currently being developed for future NASA deep space missions, is made up of such nearly sinusoidally oscillating components, its phasor diagrams would also be expected to close. A graphical user interface (GUI) has been written in MATLAB by taking user input data, passing it to Sage, a 1-D thermodynamic modeling program used to model the Stirling convertor, running Sage and then automatically plotting the phasor diagrams. Using this software tool, the effect of varying different Sage inputs on the phasor diagrams was determined. The parameters varied were piston amplitude, hot end temperature, cold end temperature, operating frequency, and displacer spring constant. By using these phasor diagrams, better insight can be gained as to why the convertor operates the way that it does.

  11. Novel parallel plate condenser for single particle electrostatic force measurements in atomic force microscope

    KAUST Repository

    Kwek, Jin Wang

    2011-07-01

    A combination of small parallel plate condenser with Indium Tin Oxide (ITO) glass slides as electrodes and an atomic force microscope (AFM) is used to characterize the electrostatic behavior of single glass bead microparticles (105-150 μm) glued to the AFM cantilever. This novel setup allows measurements of the electrostatic forces acting on a particle in an applied electrical field to be performed in ambient air conditions. By varying the position of the microparticle between the electrodes and the strength of the applied electric field, the relative contributions of the particle net charge, induced and image charges were investigated. When the microparticle is positioned in the middle of the electrodes, the force acting on the microparticle was linear with the applied electric field and proportional to the microparticle net charge. At distances close to the bottom electrode, the force follows a parabolic relationship with the applied electric field reflecting the contributions of induced and image charges. The method can be used for the rapid evaluation of the charging and polarizability properties of the microparticle as well as an alternative to the conventional Faraday\\'s pail technique. © 2011 Elsevier B.V.

  12. Biological catalysis of the hydrological cycle: life's thermodynamic function

    Science.gov (United States)

    Michaelian, K.

    2011-01-01

    Darwinian theory depicts life as being overwhelmingly consumed by a fight for survival in a hostile environment. However, from a thermodynamic perspective, life is a dynamic out of equilibrium process, stabilizing and coevolving in concert with its abiotic environment. The living component of the biosphere on the surface of the Earth of greatest biomass, the plants and cyanobacteria, are involved in the transpiration of a vast amount of water. Transpiration is part of the global water cycle, and it is this cycle that distinguishes Earth from its apparently life barren neighboring planets, Venus and Mars. The dissipation of sunlight into heat by organic molecules in the biosphere and its coupling to the water cycle (as well as other abiotic processes), is by far the greatest entropy producing process occurring on Earth. Life, from this perspective, can be viewed as performing an important thermodynamic function; acting as a dynamic catalyst by aiding irreversible abiotic process such as the water cycle, hurricanes, and ocean and wind currents to produce entropy. The role of animals in this view is that of unwitting but dedicated servants of the plants and cyanobacteria, helping them to grow and to spread into initially inhospitable areas.

  13. Children's Typically-Perceived-Situations of Force and No Force in the Context of Australia and Korea

    Science.gov (United States)

    Joung, Yong Jae; Gunstone, Richard

    2010-08-01

    Typically-Perceived-Situation (TPS) refers to the situation rising spontaneously in an individual's mind when she/he first thinks of a phenomenon or concept. The purpose of this study is to go well beyond the many studies that describe conceptions of force and explore children's TPS of "force is acting on a thing" and "force is not acting on a thing", and to do this in the differing contexts of Australia and Korea. Data were collected by drawings and written explanations from 145 Grade 6 Australian children and 150 Grade 6 Korean children. These data showed some significant differences between the Australian children's and Korean children's TPSs. For example, considering the whole context of children's TPS, the contexts of "someone pushes or pulls something" and "someone/something is floating in the air or not moving because there is no gravity" were the most frequent ones, as a "force" and as a "no force" situation respectively, in the case of Australian children, while "a sort of energy is provided into someone/something and they can be active/working" and "a sort of energy is not provided into someone/something and they cannot be active/working", were most frequent in the case of Korean children. These differences are very likely the consequence of different everyday meanings for the word "force" in the two cultures. In addition, it appears that these children's TPS affect their judgement of "force" and "no force".

  14. Folding and insertion thermodynamics of the transmembrane WALP peptide

    International Nuclear Information System (INIS)

    Bereau, Tristan; Bennett, W. F. Drew; Pfaendtner, Jim; Deserno, Markus; Karttunen, Mikko

    2015-01-01

    The anchor of most integral membrane proteins consists of one or several helices spanning the lipid bilayer. The WALP peptide, GWW(LA) n (L)WWA, is a common model helix to study the fundamentals of protein insertion and folding, as well as helix-helix association in the membrane. Its structural properties have been illuminated in a large number of experimental and simulation studies. In this combined coarse-grained and atomistic simulation study, we probe the thermodynamics of a single WALP peptide, focusing on both the insertion across the water-membrane interface, as well as folding in both water and a membrane. The potential of mean force characterizing the peptide’s insertion into the membrane shows qualitatively similar behavior across peptides and three force fields. However, the Martini force field exhibits a pronounced secondary minimum for an adsorbed interfacial state, which may even become the global minimum—in contrast to both atomistic simulations and the alternative PLUM force field. Even though the two coarse-grained models reproduce the free energy of insertion of individual amino acids side chains, they both underestimate its corresponding value for the full peptide (as compared with atomistic simulations), hinting at cooperative physics beyond the residue level. Folding of WALP in the two environments indicates the helix as the most stable structure, though with different relative stabilities and chain-length dependence

  15. Folding and insertion thermodynamics of the transmembrane WALP peptide

    Energy Technology Data Exchange (ETDEWEB)

    Bereau, Tristan, E-mail: bereau@mpip-mainz.mpg.de [Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz (Germany); Bennett, W. F. Drew [Department of Chemistry, University of Waterloo, 200 University Avenue West, Waterloo, Ontario N2L 3G1 (Canada); Pfaendtner, Jim [Department of Chemical Engineering, University of Washington, Seattle, Washington 98195 (United States); Deserno, Markus [Department of Physics, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213 (United States); Karttunen, Mikko [Department of Mathematics and Computer Science & Institute for Complex Molecular Systems, Eindhoven University of Technology, P.O. Box 513, MetaForum, 5600 MB Eindhoven (Netherlands)

    2015-12-28

    The anchor of most integral membrane proteins consists of one or several helices spanning the lipid bilayer. The WALP peptide, GWW(LA){sub n} (L)WWA, is a common model helix to study the fundamentals of protein insertion and folding, as well as helix-helix association in the membrane. Its structural properties have been illuminated in a large number of experimental and simulation studies. In this combined coarse-grained and atomistic simulation study, we probe the thermodynamics of a single WALP peptide, focusing on both the insertion across the water-membrane interface, as well as folding in both water and a membrane. The potential of mean force characterizing the peptide’s insertion into the membrane shows qualitatively similar behavior across peptides and three force fields. However, the Martini force field exhibits a pronounced secondary minimum for an adsorbed interfacial state, which may even become the global minimum—in contrast to both atomistic simulations and the alternative PLUM force field. Even though the two coarse-grained models reproduce the free energy of insertion of individual amino acids side chains, they both underestimate its corresponding value for the full peptide (as compared with atomistic simulations), hinting at cooperative physics beyond the residue level. Folding of WALP in the two environments indicates the helix as the most stable structure, though with different relative stabilities and chain-length dependence.

  16. Estimation of the forces acting on the tibiofemoral joint during knee extension exercises

    Directory of Open Access Journals (Sweden)

    Rodrigo Rico Bini

    2008-02-01

    Full Text Available http://dx.doi.org/10.5007/1980-0037.2008v10n1p35 The objectives of this study were to: (1 evaluate the resistive torque of an open kinetic chain strength-training machine for performing knee extensions, and (2 perform an analysis estimating internal forces in the tibiofemoral joint. During a fi rst phase of the study, measurements were taken of the machine under analysis (external forces, and then calculations were performed to estimate forces on the lower limb (internal forces. Equations were defi ned to calculate human force (HF, and the moment of muscular force (MMF. Perpendicular muscular force (MFp and joint force (JFp, axial muscular force (MF” and joint force (JF”, and total muscular force (MF and joint force (JF were all calculated. Five knee angles were analyzed (zero, 30, 45, 60, and 90 degrees. A reduction was observed in HF at higher knee angles, while MF and JF also increased at the same time. HF was always lower than the load selected on the machine, which indicates a reduced overload imposed by the machine. The reduction observed in MFp and JFp at higher knee angles indicates a lower tendency to shear the tibia in relation to the femur. At the same time, there was an increase in JF” due to higher MF”. The biomechanical model proposed in this study has shown itself adequate for the day-to-day needs of professionals who supervise orient strength training.

  17. Thermodynamic Cconstraints on Coupled Carbonate-Pyrite Weathering Dynamics and Carbon Fluxes

    Science.gov (United States)

    Winnick, M.; Maher, K.

    2017-12-01

    Chemical weathering within the critical zone regulates global biogeochemical cycles, atmospheric composition, and the supply of key nutrients to terrestrial and aquatic ecosystems. Recent studies suggest that thermodynamic limits on solute production act as a first-order control on global chemical weathering rates; however, few studies have addressed the factors that set these thermodynamic limits in natural systems. In this presentation, we investigate the effects of soil CO2 concentrations and pyrite oxidation rates on carbonate dissolution and associated carbon fluxes in the East River watershed in Colorado, using concentration-discharge relationships and thermodynamic constraints. Within the shallow subsurface, soil respiration rates and moisture content determine the extent of carbonic acid-promoted carbonate dissolution through their modulation of soil pCO2 and the balance of open- v. closed-system weathering processes. At greater depths, pyrite oxidation generates sulfuric acid, which alters the approach to equilibrium of infiltrating waters. Through comparisons of concentration-discharge data and reactive transport model simulations, we explore the conditions that determine whether sulfuric acid reacts to dissolve additional carbonate mineral or instead reacts with alkalinity already in solution - the balance of which determines watershed carbon flux budgets. Our study highlights the importance of interactions between the chemical structure of the critical zone and the hydrologic regulation of flowpaths in determining concentration-discharge relationships and overall carbon fluxes.

  18. Microstructural Evolution, Thermodynamics, and Kinetics of Mo-Tm2O3 Powder Mixtures during Ball Milling

    Directory of Open Access Journals (Sweden)

    Yong Luo

    2016-10-01

    Full Text Available The microstructural evolution, thermodynamics, and kinetics of Mo (21 wt % Tm2O3 powder mixtures during ball milling were investigated using X-ray diffraction and transmission electron microscopy. Ball milling induced Tm2O3 to be decomposed and then dissolved into Mo crystal. After 96 h of ball milling, Tm2O3 was dissolved completely and the supersaturated nanocrystalline solid solution of Mo (Tm, O was obtained. The Mo lattice parameter increased with increasing ball-milling time, opposite for the Mo grain size. The size and lattice parameter of Mo grains was about 8 nm and 0.31564 nm after 96 h of ball milling, respectively. Ball milling induced the elements of Mo, Tm, and O to be distributed uniformly in the ball-milled particles. Based on the semi-experimental theory of Miedema, a thermodynamic model was developed to calculate the driving force of phase evolution. There was no chemical driving force to form a crystal solid solution of Tm atoms in Mo crystal or an amorphous phase because the Gibbs free energy for both processes was higher than zero. For Mo (21 wt % Tm2O3, it was mechanical work, not the negative heat of mixing, which provided the driving force to form a supersaturated nanocrystalline Mo (Tm, O solid solution.

  19. Dual QCD thermodynamics and quark–gluon plasma

    International Nuclear Information System (INIS)

    Chandola, H.C.; Punetha, Garima; Dehnen, H.

    2016-01-01

    Using grand canonical ensemble formulation of a multi-particle statistical system, the thermodynamical description of dual QCD based on magnetic symmetry has been presented and analyzed for the quark–gluon plasma phase of hadronic matter. The dual QCD based bag construction has been shown to lead to the radial pressure on bag surface in terms of the vector glueball masses of magnetically condensed QCD vacuum. Constructing the grand canonical partition function, the energy density and plasma pressure have been derived and used to compute the critical temperatures for QGP–hadron phase transition along with its dynamics. A comparison of the values of critical temperatures for QGP–hadron phase transition with those obtained for the deconfinement-phase transition, has been shown to lead to either the relaxation of the system via a mixed phase of QGP and hot hadron gas or go through a crossover. The associated profiles of the normalized energy density and specific heat have been shown to lead to a large latent heat generation and indicate the onset of a first-order QGP phase transition which turns into a rapid crossover for the case of temperature dependent bag parameter. The squared speed of sound has been shown to act as a physical measure of large thermodynamical fluctuations near transition point. The possible implications of trace anomaly and conformal measure on QGP formation have also been discussed.

  20. Generalized multivariate Fokker-Planck equations derived from kinetic transport theory and linear nonequilibrium thermodynamics

    International Nuclear Information System (INIS)

    Frank, T.D.

    2002-01-01

    We study many particle systems in the context of mean field forces, concentration-dependent diffusion coefficients, generalized equilibrium distributions, and quantum statistics. Using kinetic transport theory and linear nonequilibrium thermodynamics we derive for these systems a generalized multivariate Fokker-Planck equation. It is shown that this Fokker-Planck equation describes relaxation processes, has stationary maximum entropy distributions, can have multiple stationary solutions and stationary solutions that differ from Boltzmann distributions

  1. Wind Forces on Container Ships

    DEFF Research Database (Denmark)

    Andersen, Ingrid Marie Vincent

    2012-01-01

    An investigation of the wind forces acting on a 9,000+ TEU container ship has been carried out through a series of wind tunnel tests. It was investigated how the wind forces depend on the container configuration on the deck using a 1:450 scale model and a series of appropriate container...... are presented as nondimensional coefficients. It is concluded, that the measured forces and moment depend on the container configuration on deck, and the results may provide a general idea of how the magnitude of the wind forces is affected by a given container stacking configuration on a similar container ship....

  2. 77 FR 30871 - Implementing the Prison Rape Elimination Act

    Science.gov (United States)

    2012-05-23

    ...--Implementing the Prison Rape Elimination Act Proclamation 8823--Armed Forces Day, 2012 #0; #0; #0; Presidential... Prison Rape Elimination Act Memorandum for the Heads of Executive Departments and Agencies Sexual... Rape Elimination Act of 2003 (PREA) was enacted with bipartisan support and established a ``zero...

  3. Thermodynamic diagnosis of diesel and biodiesel combustion processes during load-increase transient sequences

    International Nuclear Information System (INIS)

    Armas, Octavio; Ballesteros, Rosario; Cardenas, María Dolores

    2012-01-01

    Highlights: ► Thermodynamic diagnosis was applied to diesel combustion process during transient operation. ► Comparative analysis of thermodynamic results with different biodiesel fuels has been carried out. ► Biodiesel fuels studied have a slight effect on timing of the combustion process. ► Methodology used can be applied to improve engine control when using different alternative fuels. -- Abstract: The study of the diesel combustion process is a current topic by the need of thermal efficiency improving and the reduction of pollutant emissions. This circumstance has forced researchers and manufacturers to optimize this process not only in steady state operating conditions but also during transient operation. A zero dimensional thermodynamic diagnostic model, with three species (air, fuel evaporated and burned products), has been used to characterize the combustion process during load increase transient sequences at two different engine speed. In both sequences, three variables were studied: the valve position of the exhaust gas recirculation (EGR), the elapsed time of the transition process and the type of fuel. Three biodiesel fuels were tested pure: rapeseed, soybean and sunflower which were compared to a commercial diesel fuel used as reference. Results are presented comparing the in-cylinder average maximum pressure and temperature, and the phasing of the combustion process based on the calculation of heat release. This study has allowed the detection of the effect of the tested engine parameters and the biodiesel fuels used on the in-cylinder thermodynamic conditions during the load transient sequences studied.

  4. 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

  5. Thermodynamic analysis of salt corrosion of titanium alloys

    International Nuclear Information System (INIS)

    Travkin, V.V.; Pshirkov, V.F.; Kolachev, B.A.

    1979-01-01

    About 200 possible chemical reactions of metals, salts and oxides (in a solid state) with water (in a vapour state), and with gases (O 2 , Cl 2 , HCl) were studied by the thermodynamic analysis to elucidate a chemical nature of processes taking place at salt corrosion of titanium alloys (VT22, VT6 and VT16). Temperature dependences of isobaric-isothermic potential were considered to reveal a possibility of spontaneous course and direction of reactions as well as to obtain a comparative estimate of the probability of their pro-cedure. Thermodynamically possible schemes of the chemism of titanium alloy salt corrosion are proposed. Complex che-mical reactions take place in the presence of salt, moisture and oxygen of air on the surface of the alloys. The reactions proceed with the formation of titanium and alloying component chlorides, free chlorine and hydrogen. The free chlorine or HCl are released during pyrohydrolysis and oxidation of chlo-rides. The former ones interact with the alloy with the formation of salts, and hydrogen may be absorbed by the metal and cause embrittlement. Chlorides on the metal surface accelerate the chlorination process. NaCl acts as a cata-lyst. The determination of salt corrosion products has confirmed the process mechanism proposed

  6. Act of 21 February 1963, Stb. 82, concerning the release of nuclear energy and the use of radioactive materials and of devices emitting ionizing radiations (Nuclear Energy Act) as amended by the Act of 30 June 1967, Stb. 337, and the Act of 8 May 1974, Stb. 291

    International Nuclear Information System (INIS)

    1963-01-01

    This basic Act governs all nuclear activities in the Netherlands and determines the Government's competence and the obligations of those involved in the nuclear field. It establishes definitions and sets up bodies to advise the Government in the different nuclear sectors and covers nuclear installations, fissionable materials, ores, radioactive materials, radiation-emitting devices and their licensing. It was brought into force progressively by decrees made in implementation of its provisions, which lay down detailed regulations for the activity concerned. The chapters of the Act not yet in force were brought into operation on 1 January 1970 by the Nuclear Energy Act (Implantation) Decree of 12 November 1969. (NEA) [fr

  7. 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

  8. Geometric description of BTZ black hole thermodynamics

    International Nuclear Information System (INIS)

    Quevedo, Hernando; Sanchez, Alberto

    2009-01-01

    We study the properties of the space of thermodynamic equilibrium states of the Banados-Teitelboim-Zanelli (BTZ) black hole in (2+1) gravity. We use the formalism of geometrothermodynamics to introduce in the space of equilibrium states a two-dimensional thermodynamic metric whose curvature is nonvanishing, indicating the presence of thermodynamic interaction, and free of singularities, indicating the absence of phase transitions. Similar results are obtained for generalizations of the BTZ black hole which include a Chern-Simons term and a dilatonic field. Small logarithmic corrections of the entropy turn out to be represented by small corrections of the thermodynamic curvature, reinforcing the idea that thermodynamic curvature is a measure of thermodynamic interaction.

  9. Thermodynamic approach to biomass gasification

    International Nuclear Information System (INIS)

    Boissonnet, G.; Seiler, J.M.

    2003-01-01

    The document presents an approach of biomass transformation in presence of steam, hydrogen or oxygen. Calculation results based on thermodynamic equilibrium are discussed. The objective of gasification techniques is to increase the gas content in CO and H 2 . The maximum content in these gases is obtained when thermodynamic equilibrium is approached. Any optimisation action of a process. will, thus, tend to approach thermodynamic equilibrium conditions. On the other hand, such calculations can be used to determine the conditions which lead to an increase in the production of CO and H 2 . An objective is also to determine transformation enthalpies that are an important input for process calculations. Various existing processes are assessed, and associated thermodynamic limitations are evidenced. (author)

  10. Modeling forces in high-temperature superconductors

    International Nuclear Information System (INIS)

    Turner, L. R.; Foster, M. W.

    1997-01-01

    We have developed a simple model that uses computed shielding currents to determine the forces acting on a high-temperature superconductor (HTS). The model has been applied to measurements of the force between HTS and permanent magnets (PM). Results show the expected hysteretic variation of force as the HTS moves first toward and then away from a permanent magnet, including the reversal of the sign of the force. Optimization of the shielding currents is carried out through a simulated annealing algorithm in a C++ program that repeatedly calls a commercial electromagnetic software code. Agreement with measured forces is encouraging

  11. Environmental Assessment for Proposed Security Forces Operations Facility, Buckley Air Force Base, Colorado

    National Research Council Canada - National Science Library

    Meyer, Elizabeth; Myklebust, Jessica; Denier, James; Christner, Jennifer; Fontaine, Kathyrn

    2006-01-01

    The United States Air Force (USAF) has prepared this EA in accordance with the National Environmental Policy Act to evaluate the potential environmental and social impacts from the construction and operation of the proposed SFOF...

  12. Gravitation, Thermodynamics, and Quantum Theory

    OpenAIRE

    Wald, Robert M.

    1999-01-01

    During the past 30 years, research in general relativity has brought to light strong hints of a very deep and fundamental relationship between gravitation, thermodynamics, and quantum theory. The most striking indication of such a relationship comes from black hole thermodynamics, where it appears that certain laws of black hole mechanics are, in fact, simply the ordinary laws of thermodynamics applied to a system containing a black hole. This article will review the present status of black h...

  13. Crossflow-induced vibrations of tube banks: hydrodynamic forces and mathematical models

    International Nuclear Information System (INIS)

    Chen, S.S.

    1977-01-01

    The objective of this paper is to present a method of analysis for the hydrodynamic forces acting on tube banks and a mathematical model for multiple tubes and multiple excitation mechanisms incorporating tube/fluid coupling. The hydrodynamic forces acting on tube banks are analyzed using the two dimensional potential flow theory

  14. Casimir-lifshitz force out of thermal equilibrium and asymptotic nonadditivity

    NARCIS (Netherlands)

    Antezza, Mauro; Pitaevskii, Lev P.; Stringari, Sandro; Svetovoy, Vitaly

    2006-01-01

    We investigate the force acting between two parallel plates held at different temperatures. The force reproduces, as limiting cases, the well-known Casimir-Lifshitz surface-surface force at thermal equilibrium and the surface-atom force out of thermal equilibrium recently derived by M. Antezza et

  15. Combinatorial multispectral, thermodynamics, docking and site-directed mutagenesis reveal the cognitive characteristics of honey bee chemosensory protein to plant semiochemical.

    Science.gov (United States)

    Tan, Jing; Song, Xinmi; Fu, Xiaobin; Wu, Fan; Hu, Fuliang; Li, Hongliang

    2018-05-09

    In the chemoreceptive system of insects, there are always some soluble binding proteins, such as some antennal-specific chemosensory proteins (CSPs), which are abundantly distributed in the chemosensory sensillar lymph. The antennal-specific CSPs usually have strong capability to bind diverse semiochemicals, while the detailed interaction between CSPs and the semiochemicals remain unclear. Here, by means of the combinatorial multispectral, thermodynamics, docking and site-directed mutagenesis, we detailedly interpreted a binding interaction between a plant semiochemical β-ionone and antennal-specific CSP1 from the worker honey bee. Thermodynamic parameters (ΔH  0) indicate that the interaction is mainly driven by hydrophobic forces and electrostatic interactions. Docking prediction results showed that there are two key amino acids, Phe44 and Gln63, may be involved in the interacting process of CSP1 to β-ionone. In order to confirm the two key amino acids, site-directed mutagenesis were performed and the binding constant (K A ) for two CSP1 mutant proteins was reduced by 60.82% and 46.80% compared to wild-type CSP1. The thermodynamic analysis of mutant proteins furtherly verified that Phe44 maintained an electrostatic interaction and Gln63 contributes hydrophobic and electrostatic forces. Our investigation initially elucidates the physicochemical mechanism of the interaction between antennal-special CSPs in insects including bees to plant semiochemicals, as well as the development of twice thermodynamic analysis (wild type and mutant proteins) combined with multispectral and site-directed mutagenesis methods. Copyright © 2018. Published by Elsevier B.V.

  16. Thermodynamics of quasi-topological cosmology

    International Nuclear Information System (INIS)

    Dehghani, M.H.; Sheykhi, A.; Dehghani, R.

    2013-01-01

    In this Letter, we study thermodynamical properties of the apparent horizon in a universe governed by quasi-topological gravity. Our aim is twofold. First, by using the variational method we derive the general form of Friedmann equation in quasi-topological gravity. Then, by applying the first law of thermodynamics on the apparent horizon, after using the entropy expression associated with the black hole horizon in quasi-topological gravity, and replacing the horizon radius, r + , with the apparent horizon radius, r -tilde A , we derive the corresponding Friedmann equation in quasi-topological gravity. We find that these two different approaches yield the same result which shows the profound connection between the first law of thermodynamics and the gravitational field equations of quasi-topological gravity. We also study the validity of the generalized second law of thermodynamics in quasi-topological cosmology. We find that, with the assumption of the local equilibrium hypothesis, the generalized second law of thermodynamics is fulfilled for the universe enveloped by the apparent horizon for the late time cosmology

  17. Extended Irreversible Thermodynamics

    CERN Document Server

    Jou, David

    2010-01-01

    This is the 4th edition of the highly acclaimed monograph on Extended Irreversible Thermodynamics, a theory that goes beyond the classical theory of irreversible processes. In contrast to the classical approach, the basic variables describing the system are complemented by non-equilibrium quantities. The claims made for extended thermodynamics are confirmed by the kinetic theory of gases and statistical mechanics. The book covers a wide spectrum of applications, and also contains a thorough discussion of the foundations and the scope of the current theories on non-equilibrium thermodynamics. For this new edition, the authors critically revised existing material while taking into account the most recent developments in fast moving fields such as heat transport in micro- and nanosystems or fast solidification fronts in materials sciences. Several fundamental chapters have been revisited emphasizing physics and applications over mathematical derivations. Also, fundamental questions on the definition of non-equil...

  18. Development of a thermodynamic data base for selected heavy metals

    International Nuclear Information System (INIS)

    Hageman, Sven; Scharge, Tina; Willms, Thomas

    2015-07-01

    The report on the development of a thermodynamic data base for selected heavy metals covers the description of experimental methods, the thermodynamic model for chromate, the thermodynamic model for dichromate, the thermodynamic model for manganese (II), the thermodynamic model for cobalt, the thermodynamic model for nickel, the thermodynamic model for copper (I), the thermodynamic model for copper(II), the thermodynamic model for mercury (0) and mercury (I), the thermodynamic model for mercury (III), the thermodynamic model for arsenate.

  19. Atomistic-level non-equilibrium model for chemically reactive systems based on steepest-entropy-ascent quantum thermodynamics

    International Nuclear Information System (INIS)

    Li, Guanchen; Al-Abbasi, Omar; Von Spakovsky, Michael R

    2014-01-01

    This paper outlines an atomistic-level framework for modeling the non-equilibrium behavior of chemically reactive systems. The framework called steepest- entropy-ascent quantum thermodynamics (SEA-QT) is based on the paradigm of intrinsic quantum thermodynamic (IQT), which is a theory that unifies quantum mechanics and thermodynamics into a single discipline with wide applications to the study of non-equilibrium phenomena at the atomistic level. SEA-QT is a novel approach for describing the state of chemically reactive systems as well as the kinetic and dynamic features of the reaction process without any assumptions of near-equilibrium states or weak-interactions with a reservoir or bath. Entropy generation is the basis of the dissipation which takes place internal to the system and is, thus, the driving force of the chemical reaction(s). The SEA-QT non-equilibrium model is able to provide detailed information during the reaction process, providing a picture of the changes occurring in key thermodynamic properties (e.g., the instantaneous species concentrations, entropy and entropy generation, reaction coordinate, chemical affinities, reaction rate, etc). As an illustration, the SEA-QT framework is applied to an atomistic-level chemically reactive system governed by the reaction mechanism F + H 2 ↔ FH + H

  20. Forced intrusion of water and aqueous solutions in microporous materials: from fundamental thermodynamics to energy storage devices.

    Science.gov (United States)

    Fraux, Guillaume; Coudert, François-Xavier; Boutin, Anne; Fuchs, Alain H

    2017-12-07

    We review the high pressure forced intrusion studies of water in hydrophobic microporous materials such as zeolites and MOFs, a field of research that has emerged some 15 years ago and is now very active. Many of these studies are aimed at investigating the possibility of using these systems as energy storage devices. A series of all-silica zeolites (zeosil) frameworks were found suitable for reversible energy storage because of their stability with respect to hydrolysis after several water intrusion-extrusion cycles. Several microporous hydrophobic zeolite imidazolate frameworks (ZIFs) also happen to be quite stable and resistant towards hydrolysis and thus seem very promising for energy storage applications. Replacing pure water by electrolyte aqueous solutions enables to increase the stored energy by a factor close to 3, on account of the high pressure shift of the intrusion transition. In addition to the fact that aqueous solutions and microporous silica materials are environmental friendly, these systems are thus becoming increasingly interesting for the design of new energy storage devices. This review also addresses the theoretical approaches and molecular simulations performed in order to better understand the experimental behavior of nano-confined water. Molecular simulation studies showed that water condensation takes place through a genuine first-order phase transition, provided that the interconnected pores structure is 3-dimensional and sufficiently open. In an extreme confinement situations such as in ferrierite zeosil, condensation seem to take place through a continuous supercritical crossing from a diluted to a dense fluid, on account of the fact that the first-order transition line is shifted to higher pressure, and the confined water critical point is correlatively shifted to lower temperature. These molecular simulation studies suggest that the most important features of the intrusion/extrusion process can be understood in terms of equilibrium

  1. Weighted reciprocal of temperature, weighted thermal flux, and their applications in finite-time thermodynamics.

    Science.gov (United States)

    Sheng, Shiqi; Tu, Z C

    2014-01-01

    The concepts of weighted reciprocal of temperature and weighted thermal flux are proposed for a heat engine operating between two heat baths and outputting mechanical work. With the aid of these two concepts, the generalized thermodynamic fluxes and forces can be expressed in a consistent way within the framework of irreversible thermodynamics. Then the efficiency at maximum power output for a heat engine, one of key topics in finite-time thermodynamics, is investigated on the basis of a generic model under the tight-coupling condition. The corresponding results have the same forms as those of low-dissipation heat engines [ M. Esposito, R. Kawai, K. Lindenberg and C. Van den Broeck Phys. Rev. Lett. 105 150603 (2010)]. The mappings from two kinds of typical heat engines, such as the low-dissipation heat engine and the Feynman ratchet, into the present generic model are constructed. The universal efficiency at maximum power output up to the quadratic order is found to be valid for a heat engine coupled symmetrically and tightly with two baths. The concepts of weighted reciprocal of temperature and weighted thermal flux are also transplanted to the optimization of refrigerators.

  2. Atomic Energy Authority Act 1986

    International Nuclear Information System (INIS)

    1986-01-01

    Under this Act the UKAEA is given power to borrow so that it can finance its capital expenditure programme, and will undertake a debt to the Secretary of State for Energy representing its assets. Power is given for the Government to guarantee such borrowing. The UKAEA has been organised financially on the basis of a trading fund. The Act came into force on 1 April 1986. (NEA) [fr

  3. Entropic force, holography and thermodynamics for static space-times

    International Nuclear Information System (INIS)

    Konoplya, R.A.

    2010-01-01

    Recently Verlinde has suggested a new approach to gravity which interprets gravitational interaction as a kind of entropic force. The new approach uses the holographic principle by stating that the information is kept on the holographic screens which coincide with equipotential surfaces. Motivated by this new interpretation of gravity (but not being limited by it) we study equipotential surfaces, the Unruh-Verlinde temperature, energy and acceleration for various static space-times: generic spherically symmetric solutions, axially symmetric black holes immersed in a magnetic field, traversable spherically symmetric wormholes of an arbitrary shape function, system of two and more extremely charged black holes in equilibrium. In particular, we have shown that the Unruh-Verlinde temperature of the holographic screen reaches absolute zero on the wormhole throat independently of the particular form of the wormhole solution. (orig.)

  4. Thermodynamic origin of nonimaging optics

    Science.gov (United States)

    Jiang, Lun; Winston, Roland

    2016-10-01

    Nonimaging 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 the designs of thermal and even photovoltaic systems. This 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. Much of the paper is pedagogical and retrospective. Some of the development of flowline designs will be introduced at the end and the connection between the thermodynamics and flowline design will be graphically presented. We will conclude with some speculative directions of where the ideas might lead.

  5. Thermodynamic efficiency of solar concentrators.

    Science.gov (United States)

    Shatz, Narkis; Bortz, John; Winston, Roland

    2010-04-26

    The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. We discuss consequences of Fermat's principle of geometrical optics and review étendue dilution and optical loss mechanisms associated with nonimaging concentrators. We develop an expression for the optical thermodynamic efficiency which combines the first and second laws of thermodynamics. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. We provide examples illustrating the use of this new metric for concentrating photovoltaic systems for solar power applications, and in particular show how skewness mismatch limits the attainable optical thermodynamic efficiency.

  6. Analysis of the temperature effect on the water retention capacity of soil using a thermodynamic approach

    International Nuclear Information System (INIS)

    Jacinto, A.C.; Ledesma, A.; Villar, M.V.

    2012-01-01

    Document available in extended abstract form only. Soils consist of a solid skeleton (matrix) with pores in between. The pores have different sizes, shapes and spatial distributions and provide the space for storage and transport of liquid and gas. In dealing with the analysis of coupled thermo-hydro-mechanical problems in unsaturated soils, it is necessary a relationship between the water fraction in the soil and a measure of the soil capacity to hold water in its pores against forces resulting from external actions. In Geotechnical Engineering, the energy status of water in the soil has been traditionally called suction , which has unit of stress. The pores of a soil are of many different kinds and may vary in size and in shape. Each range of pore size is associated with a characteristic adsorptive behaviour. The adsorption process is a consequence of the force field at the surface of the solid, which attracts the molecules of the gas or liquid. The physical adsorption is the main mechanism of binding of water in fine soils. It includes dispersion forces and short-range repulsive forces. In addition there may be forces due to permanent dipoles within the adsorbed molecules. Adhesion is the attraction of dissimilar substances for each other while cohesion is the mutual attraction of particles of the same substance. The adhesive forces together with the cohesive forces between water molecules form the basis for capillary binding of soil water. This is the most important mechanism of binding of water in coarse soils. When a sorbate (gas or vapour) is in contact with sorbent (solid), the amount adsorbed per gram of solid depends on the equilibrium pressure, the temperature, and also on the nature of the gas and of the solid. Equilibrium pressure refers to the pressure of the vapour in thermodynamic equilibrium with the adsorbed liquid. For a given gas adsorbed on a given solid at a fixed temperature, the adsorption is only a function of the pressure. The relation

  7. The thermodynamic solar energy

    International Nuclear Information System (INIS)

    Rivoire, B.

    2002-04-01

    The thermodynamic solar energy is the technic in the whole aiming to transform the solar radiation energy in high temperature heat and then in mechanical energy by a thermodynamic cycle. These technic are most often at an experimental scale. This paper describes and analyzes the research programs developed in the advanced countries, since 1980. (A.L.B.)

  8. 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)

  9. Energy effects on the structure and thermodynamic properties of nanoconfined fluids (a density functional theory study).

    Science.gov (United States)

    Keshavarzi, Ezat; Kamalvand, Mohammad

    2009-04-23

    The structure and properties of fluids confined in nanopores may show a dramatic departure from macroscopic bulk fluids. The main reason for this difference lies in the influence of system walls. In addition to the entropic wall effect, system walls can significantly change the energy of the confined fluid compared to macroscopic bulk fluids. The energy effect of the walls on a nanoconfined fluid appears in two forms. The first effect is the cutting off of the intermolecular interactions by the walls, which appears for example in the integrals for calculation of the thermodynamic properties. The second wall effect involves the wall-molecule interactions. In such confined fluids, the introduction of wall forces and the competition between fluid-wall and fluid-fluid forces could lead to interesting thermodynamic properties, including new kinds of phase transitions not observed in the macroscopic fluid systems. In this article, we use the perturbative fundamental measure density functional theory to study energy effects on the structure and properties of a hard core two-Yukawa fluid confined in a nanoslit. Our results show the changes undergone by the structure and phase transition of the nanoconfined fluids as a result of energy effects.

  10. Thermodynamic light on black holes

    International Nuclear Information System (INIS)

    Davies, P.

    1977-01-01

    The existence of black holes and their relevance to our understanding of the nature of space and time are considered, with especial reference to the application of thermodynamic arguments which can reveal their energy-transfer processes in a new light. The application of thermodynamics to strongly gravitating systems promises some fascinating new insights into the nature of gravity. Situations can occur during gravitational collapse in which existing physics breaks down. Under these circumstances, the application of universal thermodynamical principles might be our only guide. (U.K.)

  11. Thermodynamics in f(G,T Gravity

    Directory of Open Access Journals (Sweden)

    M. Sharif

    2018-01-01

    Full Text Available This paper explores the nonequilibrium behavior of thermodynamics at the apparent horizon of isotropic and homogeneous universe model in f(G,T gravity (G and T represent the Gauss-Bonnet invariant and trace of the energy-momentum tensor, resp.. We construct the corresponding field equations and analyze the first as well as generalized second law of thermodynamics in this scenario. It is found that an auxiliary term corresponding to entropy production appears due to the nonequilibrium picture of thermodynamics in first law. The universal condition for the validity of generalized second law of thermodynamics is also obtained. Finally, we check the validity of generalized second law of thermodynamics for the reconstructed f(G,T models (de Sitter and power-law solutions. We conclude that this law holds for suitable choices of free parameters.

  12. Properties of pseudo magnetism acting between bodies

    Directory of Open Access Journals (Sweden)

    Anish Deva

    Full Text Available A non-contact force has been found to be always acting between two bodies kept close to each other in different media. The properties of the force are different as compared to other non-contact forces such as gravitation and electrostatics, as was shown in our previous work. The aim of this paper is to find how the force behaves when two objects are brought near each other, one being completely immersed in the medium and the other kept just outside. The magnitude of the force in each medium has been calculated through experiments and then compared with each other. The discrepancies obtained between these magnitudes (10−5 N in water and 10−6 N in engine oil and the varied oscillation patterns (amplitude and frequency obtained from graphs have shown that the force behaves differently with different media. In general, the frequency of the force has been found to be of the order 10−2 Hz. The behaviour has also been found to depend on the nature of the material and shape of the object. This correlation has been ascertained by using a Gauss meter to measure the force acting between two objects and also that of an individual object. The polarity of the force i.e. whether attractive or repulsive, has been found to vary across the length of the objects and graphs have been plotted to demonstrate this property. Keywords: Non-contact force, Medium, Magnetism, Gravitation, Frequency

  13. Development of a reactive force field for iron-oxyhydroxide systems.

    Science.gov (United States)

    Aryanpour, Masoud; van Duin, Adri C T; Kubicki, James D

    2010-06-03

    We adopt a classical force field methodology, ReaxFF, which is able to reproduce chemical reactions, and train its parameters for the thermodynamics of iron oxides as well as energetics of a few iron redox reactions. Two parametrizations are developed, and their results are compared with quantum calculations or experimental measurements. In addition to training, two test cases are considered: the lattice parameters of a selected set of iron minerals, and the molecular dynamics simulation of a model for alpha-FeOOH (goethite)-water interaction. Reliability and limitations of the developed force fields in predicting structure and energetics are discussed.

  14. Non-equilibrium Thermodynamic Dissolution Theory for Multi-Component Solid/Liquid Surfaces Involving Surface Adsorption and Radiolysis Kinetics

    International Nuclear Information System (INIS)

    Stout, R B

    2001-01-01

    one of the two models developed, the propagation velocity of the solid-liquid dissolution interface is assumed proportional to configurational entropy discontinuity across the interface. Based on this assumption, the derived functional forms for non-equilibrium rate-thermodynamic force relationships are different from the near-equilibrium, linear rate-thermodynamic force relationships derived from the non-negative entropy dissipation requirement used in the classical approach of Onsager. These analyses of non-equilibrium thermodynamic processes across a propagating discontinuity, along with other idealized dissolution processes that depend on surface adsorption and radiolysis kinetics, provide generic dissolution response functions for empirical and/or regression analysis of data

  15. Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia.

    Science.gov (United States)

    Glavatskiy, K S

    2015-10-28

    Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called "mirror-image" systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can be derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval.

  16. Local equilibrium and the second law of thermodynamics for irreversible systems with thermodynamic inertia

    International Nuclear Information System (INIS)

    Glavatskiy, K. S.

    2015-01-01

    Validity of local equilibrium has been questioned for non-equilibrium systems which are characterized by delayed response. In particular, for systems with non-zero thermodynamic inertia, the assumption of local equilibrium leads to negative values of the entropy production, which is in contradiction with the second law of thermodynamics. In this paper, we address this question by suggesting a variational formulation of irreversible evolution of a system with non-zero thermodynamic inertia. We introduce the Lagrangian, which depends on the properties of the normal and the so-called “mirror-image” systems. We show that the standard evolution equations, in particular, the Maxwell-Cattaneo-Vernotte equation, can be derived from the variational procedure without going beyond the assumption of local equilibrium. We also argue that the second law of thermodynamics in non-equilibrium should be understood as a consequence of the variational procedure and the property of local equilibrium. For systems with instantaneous response this leads to the standard requirement of the local instantaneous entropy production being always positive. However, if a system is characterized by delayed response, the formulation of the second law of thermodynamics should be altered. In particular, the quantity, which is always positive, is not the instantaneous entropy production, but the entropy production averaged over a proper time interval

  17. First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device

    International Nuclear Information System (INIS)

    Clima, Sergiu; Chen, Yang Yin; Goux, Ludovic; Govoreanu, Bogdan; Degraeve, Robin; Fantini, Andrea; Jurczak, Malgorzata; Chen, Chao Yang; Pourtois, Geoffrey

    2016-01-01

    Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices.

  18. First-principles thermodynamics and defect kinetics guidelines for engineering a tailored RRAM device

    Energy Technology Data Exchange (ETDEWEB)

    Clima, Sergiu, E-mail: clima@imec.be; Chen, Yang Yin; Goux, Ludovic; Govoreanu, Bogdan; Degraeve, Robin; Fantini, Andrea; Jurczak, Malgorzata [imec, Kapeldreef 75, 3001 Leuven (Belgium); Chen, Chao Yang [imec, Kapeldreef 75, 3001 Leuven (Belgium); Katholieke Universiteit Leuven, 3001 Leuven (Belgium); Pourtois, Geoffrey [imec, Kapeldreef 75, 3001 Leuven (Belgium); PLASMANT, University of Antwerp, 2610 Antwerpen (Belgium)

    2016-06-14

    Resistive Random Access Memories are among the most promising candidates for the next generation of non-volatile memory. Transition metal oxides such as HfOx and TaOx attracted a lot of attention due to their CMOS compatibility. Furthermore, these materials do not require the inclusion of extrinsic conducting defects since their operation is based on intrinsic ones (oxygen vacancies). Using Density Functional Theory, we evaluated the thermodynamics of the defects formation and the kinetics of diffusion of the conducting species active in transition metal oxide RRAM materials. The gained insights based on the thermodynamics in the Top Electrode, Insulating Matrix and Bottom Electrode and at the interfaces are used to design a proper defect reservoir, which is needed for a low-energy reliable switching device. The defect reservoir has also a direct impact on the retention of the Low Resistance State due to the resulting thermodynamic driving forces. The kinetics of the diffusing conducting defects in the Insulating Matrix determine the switching dynamics and resistance retention. The interface at the Bottom Electrode has a significant impact on the low-current operation and long endurance of the memory cell. Our first-principles findings are confirmed by experimental measurements on fabricated RRAM devices.

  19. D-amino acids inhibit initial bacterial adhesion: thermodynamic evidence.

    Science.gov (United States)

    Xing, Su-Fang; Sun, Xue-Fei; Taylor, Alicia A; Walker, Sharon L; Wang, Yi-Fu; Wang, Shu-Guang

    2015-04-01

    Bacterial biofilms are structured communities of cells enclosed in a self-produced hydrated polymeric matrix that can adhere to inert or living surfaces. D-Amino acids were previously identified as self-produced compounds that mediate biofilm disassembly by causing the release of the protein component of the polymeric matrix. However, whether exogenous D-amino acids could inhibit initial bacterial adhesion is still unknown. Here, the effect of the exogenous amino acid D-tyrosine on initial bacterial adhesion was determined by combined use of chemical analysis, force spectroscopic measurement, and theoretical predictions. The surface thermodynamic theory demonstrated that the total interaction energy increased with more D-tyrosine, and the contribution of Lewis acid-base interactions relative to the change in the total interaction energy was much greater than the overall nonspecific interactions. Finally, atomic force microscopy analysis implied that the hydrogen bond numbers and adhesion forces decreased with the increase in D-tyrosine concentrations. D-Tyrosine contributed to the repulsive nature of the cell and ultimately led to the inhibition of bacterial adhesion. This study provides a new way to regulate biofilm formation by manipulating the contents of D-amino acids in natural or engineered systems. © 2014 Wiley Periodicals, Inc.

  20. The Effects of Minimal Length, Maximal Momentum, and Minimal Momentum in Entropic Force

    Directory of Open Access Journals (Sweden)

    Zhong-Wen Feng

    2016-01-01

    Full Text Available The modified entropic force law is studied by using a new kind of generalized uncertainty principle which contains a minimal length, a minimal momentum, and a maximal momentum. Firstly, the quantum corrections to the thermodynamics of a black hole are investigated. Then, according to Verlinde’s theory, the generalized uncertainty principle (GUP corrected entropic force is obtained. The result shows that the GUP corrected entropic force is related not only to the properties of the black holes but also to the Planck length and the dimensionless constants α0 and β0. Moreover, based on the GUP corrected entropic force, we also derive the modified Einstein’s field equation (EFE and the modified Friedmann equation.

  1. Thermophoretic forces on DNA measured with a single-molecule spring balance

    DEFF Research Database (Denmark)

    Pedersen, Jonas Nyvold; Lüscher, Christopher James; Marie, Rodolphe

    2014-01-01

    We stretch a single DNA molecule with thermophoretic forces and measure these forces with a spring balance: the DNA molecule itself. It is an entropic spring which we calibrate, using as a benchmark its Brownian motion in the nanochannel that contains and prestretches it. This direct measurement ....... We find the Soret coefficient per unit length of DNA at various ionic strengths. It agrees, with novel precision, with results obtained in bulk for DNA too short to shield itself and with the thermodynamic model of thermophoresis.......We stretch a single DNA molecule with thermophoretic forces and measure these forces with a spring balance: the DNA molecule itself. It is an entropic spring which we calibrate, using as a benchmark its Brownian motion in the nanochannel that contains and prestretches it. This direct measurement...

  2. Stability of black holes based on horizon thermodynamics

    Directory of Open Access Journals (Sweden)

    Meng-Sen Ma

    2015-12-01

    Full Text Available On the basis of horizon thermodynamics we study the thermodynamic stability of black holes constructed in general relativity and Gauss–Bonnet gravity. In the framework of horizon thermodynamics there are only five thermodynamic variables E, P, V, T, S. It is not necessary to consider concrete matter fields, which may contribute to the pressure of black hole thermodynamic system. In non-vacuum cases, we can derive the equation of state, P=P(V,T. According to the requirements of stable equilibrium in conventional thermodynamics, we start from these thermodynamic variables to calculate the heat capacity at constant pressure and Gibbs free energy and analyze the local and global thermodynamic stability of black holes. It is shown that P>0 is the necessary condition for black holes in general relativity to be thermodynamically stable, however this condition cannot be satisfied by many black holes in general relativity. For black hole in Gauss–Bonnet gravity negative pressure can be feasible, but only local stable black hole exists in this case.

  3. Thermodynamic study of selected monoterpenes

    Czech Academy of Sciences Publication Activity Database

    Štejfa, V.; Fulem, Michal; Růžička, K.; Červinka, C.; Rocha, M.A.A.; Santos, L.M.N.B.F.; Schröder, B.

    2013-01-01

    Roč. 60, MAY (2013), 117-125 ISSN 0021-9614 Institutional support: RVO:68378271 Keywords : monoterpenes * pinene * vapor pressure * heat capacity * vaporization and sublimation enthalpy * ideal - gas thermodynamic Subject RIV: BJ - Thermodynamics Impact factor: 2.423, year: 2013

  4. Force acting on a spherical bubble rising through a quiescent liquid

    International Nuclear Information System (INIS)

    Takagi, Shu; Matsumoto, Yoichiro

    1996-01-01

    The direct numerical simulation is performed on the spherical bubble unsteadily rising through a quiescent liquid. The method is based on a finite-volume solution of the equations on an orthogonal curvilinear coordinate system. The calculations are performed for a bubble rising through a clean liquid and contaminated one. Following the former experimental results, the tangential stress free condition is given for a clean bubble, and no-slip condition for contaminated one. The numerical results are compared with those of the model equation of the translational motion of the bubble, which is often used in numerical models of a bubbly flow. The steady drag, added mass and history terms are checked up by the comparison. It is revealed that the history force effect is negligible for a bubble rising through the clean liquid beyond Re=O(50). From the numerical point of view, the fact that the history force is negligible is quite important, because it reduces the calculation time and memory for a bubbly flow model. For a contaminated bubble, history force effect is not negligible even though the Reynolds number is high enough. It is found that the expression of the history force by Basset kernel gives an over-estimation of the history force for the bubble rising at moderate Reynolds number. This error becomes larger with increasing Reynolds number and it reduces the accuracy to calculate the bubble motion by the model equation. (author)

  5. Thermodynamic Calculations for Systems Biocatalysis

    DEFF Research Database (Denmark)

    Abu, Rohana; Gundersen, Maria T.; Woodley, John M.

    2015-01-01

    the transamination of a pro-chiral ketone into a chiral amine (interesting in many pharmaceutical applications). Here, the products are often less energetically stable than the reactants, meaning that the reaction may be thermodynamically unfavourable. As in nature, such thermodynamically-challenged reactions can...... on the basis of kinetics. However, many of the most interesting non-natural chemical reactions which could potentially be catalysed by enzymes, are thermodynamically unfavourable and are thus limited by the equilibrium position of the reaction. A good example is the enzyme ω-transaminase, which catalyses...... be altered by coupling with other reactions. For instance, in the case of ω-transaminase, such a coupling could be with alanine dehydrogenase. Herein, the aim of this work is to identify thermodynamic bottlenecks within a multi-enzyme process, using group contribution method to calculate the Gibbs free...

  6. Thermodynamics II essentials

    CERN Document Server

    REA, The Editors of

    2013-01-01

    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 II includes review of thermodynamic relations, power and refrigeration cycles, mixtures and solutions, chemical reactions, chemical equilibrium, and flow through nozzl

  7. Microcanonical ensemble extensive thermodynamics of Tsallis statistics

    International Nuclear Information System (INIS)

    Parvan, A.S.

    2005-01-01

    The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics.The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ = 1/q - 1 in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z bar = 1/(q - 1)N = const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit

  8. Microcanonical ensemble extensive thermodynamics of Tsallis statistics

    International Nuclear Information System (INIS)

    Parvan, A.S.

    2006-01-01

    The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics. The equilibrium distribution functions are derived by the thermodynamic method based upon the use of the fundamental equation of thermodynamics and the statistical definition of the functions of the state of the system. It is shown that if the entropic index ξ=1/(q-1) in the microcanonical ensemble is an extensive variable of the state of the system, then in the thermodynamic limit z-bar =1/(q-1)N=const the principle of additivity and the zero law of thermodynamics are satisfied. In particular, the Tsallis entropy of the system is extensive and the temperature is intensive. Thus, the Tsallis statistics completely satisfies all the postulates of the equilibrium thermodynamics. Moreover, evaluation of the thermodynamic identities in the microcanonical ensemble is provided by the Euler theorem. The principle of additivity and the Euler theorem are explicitly proved by using the illustration of the classical microcanonical ideal gas in the thermodynamic limit

  9. Thermodynamic metrics and optimal paths.

    Science.gov (United States)

    Sivak, David A; Crooks, Gavin E

    2012-05-11

    A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transformations, and bestows optimal protocols with many useful properties. We discuss the connection to the existing thermodynamic length formalism, and demonstrate the utility of this metric by solving for optimal control parameter protocols in a simple nonequilibrium model.

  10. Statistical Thermodynamics of Disperse Systems

    DEFF Research Database (Denmark)

    Shapiro, Alexander

    1996-01-01

    Principles of statistical physics are applied for the description of thermodynamic equilibrium in disperse systems. The cells of disperse systems are shown to possess a number of non-standard thermodynamic parameters. A random distribution of these parameters in the system is determined....... On the basis of this distribution, it is established that the disperse system has an additional degree of freedom called the macro-entropy. A large set of bounded ideal disperse systems allows exact evaluation of thermodynamic characteristics. The theory developed is applied to the description of equilibrium...

  11. Practical chemical thermodynamics for geoscientists

    CERN Document Server

    Fegley, Bruce, Jr

    2012-01-01

    Practical Chemical Thermodynamics for Geoscientists covers classical chemical thermodynamics and focuses on applications to practical problems in the geosciences, environmental sciences, and planetary sciences. This book will provide a strong theoretical foundation for students, while also proving beneficial for earth and planetary scientists seeking a review of thermodynamic principles and their application to a specific problem. Strong theoretical foundation and emphasis on applications Numerous worked examples in each chapter Brief historical summaries and biographies of key thermodynamicists-including their fundamental research and discoveries Extensive references to relevant literature.

  12. Contact Geometry of Mesoscopic Thermodynamics and Dynamics

    Directory of Open Access Journals (Sweden)

    Miroslav Grmela

    2014-03-01

    Full Text Available The time evolution during which macroscopic systems reach thermodynamic equilibrium states proceeds as a continuous sequence of contact structure preserving transformations maximizing the entropy. This viewpoint of mesoscopic thermodynamics and dynamics provides a unified setting for the classical equilibrium and nonequilibrium thermodynamics, kinetic theory, and statistical mechanics. One of the illustrations presented in the paper is a new version of extended nonequilibrium thermodynamics with fluxes as extra state variables.

  13. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    Energy Technology Data Exchange (ETDEWEB)

    Hölzl, Christoph; Horinek, Dominik, E-mail: dominik.horinek@ur.de [Institut für Physikalische und Theoretische Chemie, Universität Regensburg, 93040 Regensburg (Germany); Kibies, Patrick; Frach, Roland; Kast, Stefan M., E-mail: stefan.kast@tu-dortmund.de [Physikalische Chemie III, Technische Universität Dortmund, 44227 Dortmund (Germany); Imoto, Sho, E-mail: sho.imoto@theochem.rub.de; Marx, Dominik [Lehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, 44780 Bochum (Germany); Suladze, Saba; Winter, Roland [Physikalische Chemie I, Technische Universität Dortmund, 44227 Dortmund (Germany)

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  14. Design principles for high-pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures.

    Science.gov (United States)

    Hölzl, Christoph; Kibies, Patrick; Imoto, Sho; Frach, Roland; Suladze, Saba; Winter, Roland; Marx, Dominik; Horinek, Dominik; Kast, Stefan M

    2016-04-14

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures--while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute's response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  15. Design principles for high–pressure force fields: Aqueous TMAO solutions from ambient to kilobar pressures

    International Nuclear Information System (INIS)

    Hölzl, Christoph; Horinek, Dominik; Kibies, Patrick; Frach, Roland; Kast, Stefan M.; Imoto, Sho; Marx, Dominik; Suladze, Saba; Winter, Roland

    2016-01-01

    Accurate force fields are one of the major pillars on which successful molecular dynamics simulations of complex biomolecular processes rest. They have been optimized for ambient conditions, whereas high-pressure simulations become increasingly important in pressure perturbation studies, using pressure as an independent thermodynamic variable. Here, we explore the design of non-polarizable force fields tailored to work well in the realm of kilobar pressures – while avoiding complete reparameterization. Our key is to first compute the pressure-induced electronic and structural response of a solute by combining an integral equation approach to include pressure effects on solvent structure with a quantum-chemical treatment of the solute within the embedded cluster reference interaction site model (EC-RISM) framework. Next, the solute’s response to compression is taken into account by introducing pressure-dependence into selected parameters of a well-established force field. In our proof-of-principle study, the full machinery is applied to N,N,N-trimethylamine-N-oxide (TMAO) in water being a potent osmolyte that counteracts pressure denaturation. EC-RISM theory is shown to describe well the charge redistribution upon compression of TMAO(aq) to 10 kbar, which is then embodied in force field molecular dynamics by pressure-dependent partial charges. The performance of the high pressure force field is assessed by comparing to experimental and ab initio molecular dynamics data. Beyond its broad usefulness for designing non-polarizable force fields for extreme thermodynamic conditions, a good description of the pressure-response of solutions is highly recommended when constructing and validating polarizable force fields.

  16. eQuilibrator--the biochemical thermodynamics calculator.

    Science.gov (United States)

    Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

    2012-01-01

    The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like 'how much Gibbs energy is released by ATP hydrolysis at pH 5?' are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use.

  17. Horizon thermodynamics in fourth-order gravity

    Directory of Open Access Journals (Sweden)

    Meng-Sen Ma

    2017-03-01

    Full Text Available In the framework of horizon thermodynamics, the field equations of Einstein gravity and some other second-order gravities can be rewritten as the thermodynamic identity: dE=TdS−PdV. However, in order to construct the horizon thermodynamics in higher-order gravity, we have to simplify the field equations firstly. In this paper, we study the fourth-order gravity and convert it to second-order gravity via a so-called “Legendre transformation” at the cost of introducing two other fields besides the metric field. With this simplified theory, we implement the conventional procedure in the construction of the horizon thermodynamics in 3 and 4 dimensional spacetime. We find that the field equations in the fourth-order gravity can also be written as the thermodynamic identity. Moreover, we can use this approach to derive the same black hole mass as that by other methods.

  18. eQuilibrator—the biochemical thermodynamics calculator

    Science.gov (United States)

    Flamholz, Avi; Noor, Elad; Bar-Even, Arren; Milo, Ron

    2012-01-01

    The laws of thermodynamics constrain the action of biochemical systems. However, thermodynamic data on biochemical compounds can be difficult to find and is cumbersome to perform calculations with manually. Even simple thermodynamic questions like ‘how much Gibbs energy is released by ATP hydrolysis at pH 5?’ are complicated excessively by the search for accurate data. To address this problem, eQuilibrator couples a comprehensive and accurate database of thermodynamic properties of biochemical compounds and reactions with a simple and powerful online search and calculation interface. The web interface to eQuilibrator (http://equilibrator.weizmann.ac.il) enables easy calculation of Gibbs energies of compounds and reactions given arbitrary pH, ionic strength and metabolite concentrations. The eQuilibrator code is open-source and all thermodynamic source data are freely downloadable in standard formats. Here we describe the database characteristics and implementation and demonstrate its use. PMID:22064852

  19. Thermodynamics of aqueous association and ionization reactions at high temperatures and pressures

    International Nuclear Information System (INIS)

    Mesmer, R.E.; Marshall, W.L.; Palmer, D.A.; Simonson, J.M.; Holmes, H.F.

    1990-01-01

    Electrochemical and electrical conductance cells have been widely used at ORNL over the years to quantitatively determine equilibrium constants and their salt effects to 300 degree C (EMF) and 800 degree C (conductance) at the saturation pressure of water (EMF) and to 4000 bars (conductance). The most precise results to 300 degree C for a large number of weak acids and bases show very similar thermodynamic behavior, which will be discussed. Results for the ionization constants of water, NH 3 (aq), HCl(aq), and NaCl(aq), which extend well into the supercritical region, have been fitted in terms of a model with dependence on density and temperature. The entropy change is found to be the driving force for ion-association reactions and this tendency increases (as it must) with increasing temperature at a given pressure. Also, the variation of all thermodynamic properties is greatly reduced at high fixed densities. Considerable variation occurs at low densities. From this analysis, the dependence of the reaction thermodynamics on the P-V-T properties of the solvent is shown, and the implication of large changes in hydration for solutes in the vicinity of the critical temperature will be discussed. Finally, the change in the molar compressibility coefficient for all reactions in water is shown to be the same and dependent only on the compressibility of the solvent

  20. A brief history of the Coriolis force

    NARCIS (Netherlands)

    Gerkema, T.; Gostiaux, L.

    2012-01-01

    In 1835, Gustave Coriolis derived the expression of a force acting in rotating systems, now known as the Coriolis force. His work was inspired by rotating devices such as waterwheels. However, the onerotating device that has always been with us is the Earth itself. Indeed, the earliest studies on

  1. SPEECH ACT IN ADVERTISING LANGUAGE OF 3 PROVIDER MOBILE PHONE PRODUCT

    Directory of Open Access Journals (Sweden)

    Suhartini Syukri

    2016-04-01

    Full Text Available This study is an analysis of selected commercial advertisement on product consumed relates to the 3 provider of mobile phone in Indonesian context. Consumers are generally believed to be active and skeptical users of information. Then, the speech act can contribute how successfulness the advertisers in persuading them. There are three kinds of act; they are locutionary act, illocutionary act and perlocutionary act. A perlocutionary act, the act that is produced as a consequences or effect of uttering a specific locution, what is brought about or achieved by saying something, in this case, the effects may be predictable by the conventional status of most illocutions, but may be force of their speech act. Using the qualitative method of research, the writers try to analyze the kinds of illocutionary forces and perlocutionary acts that occur in the advertisement through socio-pragmatic analysis. The result shows that the illocutionary acts commonly equal to the persuasive and informative as well as the advertisement goal, then the perlocutionary effects will be related to the hearers themselves.

  2. Applied thermodynamics: A new frontier for biotechnology

    DEFF Research Database (Denmark)

    Mollerup, Jørgen

    2006-01-01

    The scientific career of one of the most outstanding scientists in molecular thermodynamics, Professor John M. Prausnitz at Berkeley, reflects the change in the agenda of molecular thermodynamics, from hydrocarbon chemistry to biotechnology. To make thermodynamics a frontier for biotechnology...

  3. Mathematical modelling and numerical simulation of forces in milling process

    Science.gov (United States)

    Turai, Bhanu Murthy; Satish, Cherukuvada; Prakash Marimuthu, K.

    2018-04-01

    Machining of the material by milling induces forces, which act on the work piece material, tool and which in turn act on the machining tool. The forces involved in milling process can be quantified, mathematical models help to predict these forces. A lot of research has been carried out in this area in the past few decades. The current research aims at developing a mathematical model to predict forces at different levels which arise machining of Aluminium6061 alloy. Finite element analysis was used to develop a FE model to predict the cutting forces. Simulation was done for varying cutting conditions. Different experiments was designed using Taguchi method. A L9 orthogonal array was designed and the output was measure for the different experiments. The same was used to develop the mathematical model.

  4. Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulations.

    Science.gov (United States)

    Wu, Jingheng; Shen, Lin; Yang, Weitao

    2017-10-28

    Ab initio quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulation is a useful tool to calculate thermodynamic properties such as potential of mean force for chemical reactions but intensely time consuming. In this paper, we developed a new method using the internal force correction for low-level semiempirical QM/MM molecular dynamics samplings with a predefined reaction coordinate. As a correction term, the internal force was predicted with a machine learning scheme, which provides a sophisticated force field, and added to the atomic forces on the reaction coordinate related atoms at each integration step. We applied this method to two reactions in aqueous solution and reproduced potentials of mean force at the ab initio QM/MM level. The saving in computational cost is about 2 orders of magnitude. The present work reveals great potentials for machine learning in QM/MM simulations to study complex chemical processes.

  5. Thermodynamics of Bi2O3-SiO2 system

    Directory of Open Access Journals (Sweden)

    Onderka B.

    2017-01-01

    Full Text Available Thermodynamic properties of the liquid Bi2O3-SiO2 solutions were determined from the results of the electrochemical measurements by use of the solid oxide galvanic cells with YSZ (Yttria-Stabilized-Zirconia electrolyte. Activities of Bi2O3 in the solutions were determined for 0.2, 0.3, 0.4, and 0.5 SiO2 mole fractions in the temperature range 1073-1293 K from measured electromotive force (e.m.f of the solid electrolyte galvanic cell: Bi, Bi2O3-SiO2 | YSZ | air (pO2 = 0.213 bar Additionally, heat capacity data obtained for two solid phases 6Bi2O3•SiO2 and 2Bi2O3•3SiO2 were included into optimization of thermodynamic properties of the system. Optimization procedure was supported by differential thermal analysis (DTA data obtained in this work as well as those accepted from the literature. Using the data obtained in this work, and the information about phase equilibria found in the literature, binary system Bi2O3-SiO2 was assessed with the ThermoCalc software.

  6. 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.

  7. Chemical Thermodynamics and Information Theory with Applications

    CERN Document Server

    Graham, Daniel J

    2011-01-01

    Thermodynamics and information touch theory every facet of chemistry. However, the physical chemistry curriculum digested by students worldwide is still heavily skewed toward heat/work principles established more than a century ago. Rectifying this situation, Chemical Thermodynamics and Information Theory with Applications explores applications drawn from the intersection of thermodynamics and information theory--two mature and far-reaching fields. In an approach that intertwines information science and chemistry, this book covers: The informational aspects of thermodynamic state equations The

  8. Forcing scheme in pseudopotential lattice Boltzmann model for multiphase flows.

    Science.gov (United States)

    Li, Q; Luo, K H; Li, X J

    2012-07-01

    The pseudopotential lattice Boltzmann (LB) model is a widely used multiphase model in the LB community. In this model, an interaction force, which is usually implemented via a forcing scheme, is employed to mimic the molecular interactions that cause phase segregation. The forcing scheme is therefore expected to play an important role in the pseudoepotential LB model. In this paper, we aim to address some key issues about forcing schemes in the pseudopotential LB model. First, theoretical and numerical analyses will be made for Shan-Chen's forcing scheme [Shan and Chen, Phys. Rev. E 47, 1815 (1993)] and the exact-difference-method forcing scheme [Kupershtokh et al., Comput. Math. Appl. 58, 965 (2009)]. The nature of these two schemes and their recovered macroscopic equations will be shown. Second, through a theoretical analysis, we will reveal the physics behind the phenomenon that different forcing schemes exhibit different performances in the pseudopotential LB model. Moreover, based on the analysis, we will present an improved forcing scheme and numerically demonstrate that the improved scheme can be treated as an alternative approach to achieving thermodynamic consistency in the pseudopotential LB model.

  9. Thermodynamics of nuclear materials

    International Nuclear Information System (INIS)

    1962-01-01

    The first session of the symposium discussed in general the thermodynamic properties of actinides, including thorium, uranium and Plutonium which provide reactor fuel. The second session was devoted to applications of thermodynamic theory to the study of nuclear materials, while the experimental techniques for the determination of thermodynamic data were examined at the next session. The thermodynamic properties of alloys were considered at a separate session, and another session was concerned with solids other than alloys. Vaporization processes, which are of special interest in the development of high-temperature reactors, were discussed at a separate session. The discussions on the methods of developing the data and ascertaining their accuracy were especially useful in highlighting the importance of determining whether any given data are reliable before they can be put to practical application. Many alloys and refractory materials (i. e. materials which evaporate only at very high temperatures) are of great importance in nuclear technology, and some of these substances are extremely complex in their chemical composition. For example, until recently the phase composition of the oxides of thorium, uranium and plutonium had been only very imperfectly understood, and the same was true of the carbides of these elements. Recent developments in experimental techniques have made it possible to investigate the phase composition of these complex materials as well as the chemical species of these materials in the gaseous phase. Recent developments in measuring techniques, such as fluorine bomb calorimetry and Knudsen effusion technique, have greatly increased the accuracy of thermodynamic data

  10. Application of thermodynamics to silicate crystalline solutions

    Science.gov (United States)

    Saxena, S. K.

    1972-01-01

    A review of thermodynamic relations is presented, describing Guggenheim's regular solution models, the simple mixture, the zeroth approximation, and the quasi-chemical model. The possibilities of retrieving useful thermodynamic quantities from phase equilibrium studies are discussed. Such quantities include the activity-composition relations and the free energy of mixing in crystalline solutions. Theory and results of the study of partitioning of elements in coexisting minerals are briefly reviewed. A thermodynamic study of the intercrystalline and intracrystalline ion exchange relations gives useful information on the thermodynamic behavior of the crystalline solutions involved. Such information is necessary for the solution of most petrogenic problems and for geothermometry. Thermodynamic quantities for tungstates (CaWO4-SrWO4) are calculated.

  11. An introduction to thermodynamics and statistical mechanics

    CERN Document Server

    Saxena, A K

    2016-01-01

    An Introduction to Thermodynamics and Statistical Mechanics aims to serve as a text book for undergraduate hons.and postgraduate students of physics. The book covers First Law of Thermodynamics, Entropy and Second Law ofThermodynamics, Thermodynamic Relations, The Statistical Basis of Thermodynamics, Microcanonical Ensemble,Classical Statistical and Canonical Distribution, Grand Canonical Ensemble, Quantum Statistical Mechanics, PhaseTransitions, Fluctuations, Irreversible Processes and Transport Phenomena (Diffusion).SALIENT FEATURES:iC* Offers students a conceptual development of the subjectiC* Review questions at the end of chapters.NEW TO THE SECOND EDITIONiC* PVT SurfacesiC* Real Heat EnginesiC* Van der Waals Models (Qualitative Considerations)iC* Cluster ExpansioniC* Brownian Motion (Einstein's Theory)

  12. Mixed 2D molecular systems: Mechanic, thermodynamic and dielectric properties

    Energy Technology Data Exchange (ETDEWEB)

    Beno, Juraj [Department of Physics, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19-SK Bratislava (Slovakia); Weis, Martin [Department of Physics, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19-SK Bratislava (Slovakia)], E-mail: Martin.Weis@stuba.sk; Dobrocka, Edmund [Department of Physics, Faculty of Electrical Engineering and Information Technology, Slovak University of Technology, Ilkovicova 3, 812 19-SK Bratislava (Slovakia); Institute of Electrical Engineering, Slovak Academy of Sciences, Dubravska cesta 9, 841 04-SK Bratislava (Slovakia); Hasko, Daniel [International Laser Centre, Ilkovicova 3, 812 19-SK Bratislava (Slovakia)

    2008-08-15

    Study of Langmuir monolayers consisting of stearic acid (SA) and dipalmitoylphosphatidylcholine (DPPC) molecules was done by surface pressure-area isotherms ({pi}-A), the Maxwell displacement current (MDC) measurement, X-ray reflectivity (XRR) and atomic force microscopy (AFM) to investigate the selected mechanic, thermodynamic and dielectric properties based on orientational structure of monolayers. On the base of {pi}-A isotherms analysis we explain the creation of stable structures and found optimal monolayer composition. The dielectric properties represented by MDC generated monolayers were analyzed in terms of excess dipole moment, proposing the effect of dipole-dipole interaction. XRR and AFM results illustrate deposited film structure and molecular ordering.

  13. Generation of thermodynamic data for organic liquid mixtures from molecular simulations

    DEFF Research Database (Denmark)

    Christensen, Steen; Peters, Günther H.j.; Hansen, Flemming Yssing

    2007-01-01

    Fluctuation solution theory (FST) is employed to analyze results of molecular dynamics (MD) simulations of liquid mixtures. The objective is to generate parameters for macroscopic thermodynamic property models. Two benchmark systems, benzene-methyl acetate at 303.15 K and benzene-ethanol at 298.......15 K, are used. MD simulations are performed in the isobaric-isothermal ensemble (NPT) at the respective temperatures and at a pressure of 1 atm. We use the CHARMM27 force field at different mixing ratios. We sample positions to determine the binary (between the centers-of-mass of molecules of a pair...

  14. Nonequilibrium thermodynamics of restricted Boltzmann machines

    Science.gov (United States)

    Salazar, Domingos S. P.

    2017-08-01

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

  15. Introduction to the thermodynamics of solids

    International Nuclear Information System (INIS)

    Ericksen, J.L.

    1992-01-01

    This book addresses issues of thermodynamics associated with solids from a unique point of view. Professor Ericksen provides a perspective of thermodynamics which is based in material science and solid mechanics, and attempts to apply basic thermodynamics to a wide range of phenomena. The book is not written as a text-book, as it does not contain example problems or exercises, is directed primarily at researchers in solids. The author states that much of the book is controversial, and that many of his treatments of thermodynamics are not traditional. The author's assessment is accurate on both counts. However, there are several reasons to believe that many of the issues raised in the book are not so much controversial, but rather simply not well described, either by the author or by thermodynamicists, in general. The primary references for much of the thermodynamics in the book are historic in nature, and certainly worthy of consideration, but only a few current references are provided

  16. Nonequilibrium thermodynamics of restricted Boltzmann machines.

    Science.gov (United States)

    Salazar, Domingos S P

    2017-08-01

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

  17. Role of thermodynamic, kinetic and structural factors in the recrystallization behavior of amorphous erythromycin salts

    Energy Technology Data Exchange (ETDEWEB)

    Nanakwani, Kapil; Modi, Sameer R.; Kumar, Lokesh; Bansal, Arvind K., E-mail: akbansal@niper.ac.in

    2014-04-01

    Graphical abstract: - Highlights: • Crystallization kinetics of amorphous erythromycin salts was assessed. • Contribution of thermodynamic, kinetic and structural factors was evaluated. • Role of counterions on physical stability of amorphous salts was investigated. • Implications of the study: In rationalizing stabilization approach for amorphous form. - Abstract: Amorphous form has become an important drug delivery strategy for poorly water soluble drugs. However, amorphous form has inherent physical instability due to its tendency to recrystallize to stable crystalline form. In the present study, amorphous forms of erythromycin free base (ED) and its salts namely, stearate (ES), phosphate (EP) and thiocyanate (ET) were generated by in situ melt quenching and evaluated for their crystallization tendency. Salts were characterized for kinetic, thermodynamic and structural factors to understand crystallization behavior. Kinetics of crystallization followed the order as ES > EP > ET > ED. Fragility and molecular mobility does not completely explain these findings. However, configurational entropy (S{sub conf}), indicative of entropic barrier to crystallization, followed the order as ET > EP > ES > ED. Lower crystallization tendency of ED can be explained by its lower thermodynamic driving force for crystallization (H{sub conf}). This correlated well with different structural parameters for the counter ions.

  18. Atomic Energy Act 1989

    International Nuclear Information System (INIS)

    1989-05-01

    This Act, which entered into force on 1 september 1989, contains a series of provisions dealing with different subjects: increase of public financing for British Nuclear Fuels plc, amendment of the Nuclear Installations Act 1965 regarding the powers of the Health and Safety Executive to recover expenses directly from nuclear operators and obligation of the UKAEA to take out insurance or other financial security to cover its liability and finally, measures to enable the UK to ratify the IAEA Convention on Assistance in Case of a Nuclear Accident or Radiological Emergency [fr

  19. Thermodynamic optimization of power plants

    NARCIS (Netherlands)

    Haseli, Y.

    2011-01-01

    Thermodynamic Optimization of Power Plants aims to establish and illustrate comparative multi-criteria optimization of various models and configurations of power plants. It intends to show what optimization objectives one may define on the basis of the thermodynamic laws, and how they can be applied

  20. The statistical-inference approach to generalized thermodynamics

    International Nuclear Information System (INIS)

    Lavenda, B.H.; Scherer, C.

    1987-01-01

    Limit theorems, such as the central-limit theorem and the weak law of large numbers, are applicable to statistical thermodynamics for sufficiently large sample size of indipendent and identically distributed observations performed on extensive thermodynamic (chance) variables. The estimation of the intensive thermodynamic quantities is a problem in parametric statistical estimation. The normal approximation to the Gibbs' distribution is justified by the analysis of large deviations. Statistical thermodynamics is generalized to include the statistical estimation of variance as well as mean values

  1. Thermodynamic analysis of biochemical systems

    International Nuclear Information System (INIS)

    Yuan, Y.; Fan, L.T.; Shieh, J.H.

    1989-01-01

    Introduction of the concepts of the availability (or exergy), datum level materials, and the dead state has been regarded as some of the most significant recent developments in classical thermodynamics. Not only the available energy balance but also the material and energy balances of a biological system may be established in reference to the datum level materials in the dead state or environment. In this paper these concepts are illustrated with two examples of fermentation and are shown to be useful in identifying sources of thermodynamic inefficiency, thereby leading naturally to the rational definition of thermodynamic efficiency of a biochemical process

  2. Modelling of phase diagrams and thermodynamic properties using Calphad method – Development of thermodynamic databases

    Czech Academy of Sciences Publication Activity Database

    Kroupa, Aleš

    2013-01-01

    Roč. 66, JAN (2013), s. 3-13 ISSN 0927-0256 R&D Projects: GA MŠk(CZ) OC08053 Institutional support: RVO:68081723 Keywords : Calphad method * phase diagram modelling * thermodynamic database development Subject RIV: BJ - Thermodynamics Impact factor: 1.879, year: 2013

  3. Difference rule-a new thermodynamic principle: prediction of standard thermodynamic data for inorganic solvates.

    Science.gov (United States)

    Jenkins, H Donald Brooke; Glasser, Leslie

    2004-12-08

    We present a quite general thermodynamic "difference" rule, derived from thermochemical first principles, quantifying the difference between the standard thermodynamic properties, P, of a solid n-solvate (or n-hydrate), n-S, containing n molecules of solvate, S (water or other) and the corresponding solid parent (unsolvated) salt: [P[n-solvate] - P[parent

  4. 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

  5. Making thermodynamic functions of nanosystems intensive

    International Nuclear Information System (INIS)

    Nassimi, A M; Parsafar, G A

    2007-01-01

    The potential energy of interaction among particles in many systems is proportional to r -α . In systems for which α< d, we encounter nonextensive (nonintensive) thermodynamic functions, where d is the space dimension. A scaling parameter, N-tilde, has been introduced to make the nonextensive (nonintensive) thermodynamic functions of such systems extensive (intensive). Our simulation results show that this parameter is not capable of making the thermodynamic functions of a nanosystem extensive (intensive). Here we have presented a theoretical justification for N-tilde. Then we have generalized this scaling parameter to be capable of making the nonextensive (nonintensive) thermodynamic functions of nanosystems extensive (intensive). This generalized parameter is proportional to the potential energy per particle at zero temperature

  6. Structure and thermodynamics of molten salts

    International Nuclear Information System (INIS)

    Papatheodorou, G.N.

    1983-01-01

    This chapter investigates single-component molten salts and multicomponent salt mixtures. Molten salts provide an important testing ground for theories of liquids, solutions, and plasmas. Topics considered include molten salts as liquids (the pair potential, the radial distribution function, methods of characterization), single salts (structure, thermodynamic correlations), and salt mixtures (the thermodynamics of mixing; spectroscopy and structure). Neutron and X-ray scattering techniques are used to determine the structure of molten metal halide salts. The corresponding-states theory is used to obtain thermodynamic correlations on single salts. Structural information on salt mixtures is obtained by using vibrational (Raman) and electronic absorption spectroscopy. Charge-symmetrical systems and charge-unsymmetrical systems are used to examine the thermodynamics of salt mixtures

  7. Black hole thermodynamics with conical defects

    Energy Technology Data Exchange (ETDEWEB)

    Appels, Michael [Centre for Particle Theory, Durham University,South Road, Durham, DH1 3LE (United Kingdom); Gregory, Ruth [Centre for Particle Theory, Durham University,South Road, Durham, DH1 3LE (United Kingdom); Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada); Kubiznák, David [Perimeter Institute,31 Caroline Street North, Waterloo, ON, N2L 2Y5 (Canada)

    2017-05-22

    Recently we have shown https://www.doi.org/10.1103/PhysRevLett.117.131303 how to formulate a thermodynamic first law for a single (charged) accelerated black hole in AdS space by fixing the conical deficit angles present in the spacetime. Here we show how to generalise this result, formulating thermodynamics for black holes with varying conical deficits. We derive a new potential for the varying tension defects: the thermodynamic length, both for accelerating and static black holes. We discuss possible physical processes in which the tension of a string ending on a black hole might vary, and also map out the thermodynamic phase space of accelerating black holes and explore their critical phenomena.

  8. Discussion Meeting on Thermodynamics of Alloys Held in Sant Feliu de Guixols, Spain on 23-26 May 1990. Abstracts

    Science.gov (United States)

    1990-05-26

    OFFICE OF THE U.S. ARMY EUROPEAN RESEARCH OFFICE OF THE U.S. AIR FORCE MINISTERIO DE EDUCACION Y CIENCIA I I Wednesday, May 23 8.30 Registration 9.00... especially regarding the structural but less the thermodynamic proper- ties). The third binary system Ag-Te has been investigated in detail by our group. No

  9. The thermodynamic basis of entransy and entransy dissipation

    International Nuclear Information System (INIS)

    Xu, Mingtian

    2011-01-01

    In the present work, the entransy and entransy dissipation are defined from the thermodynamic point of view. It is shown that the entransy is a state variable and can be employed to describe the second law of thermodynamics. For heat conduction, a principle of minimum entransy dissipation is established based on the second law of thermodynamics in terms of entransy dissipation, which leads to the governing equation of the steady Fourier heat conduction without heat source. Furthermore, we derive the expressions of the entransy dissipation in duct flows and heat exchangers from the second law of thermodynamics, which paves the way for applications of the entransy dissipation theory in heat exchanger design. -- Highlights: → The concepts of entransy and entransy dissipation are defined from the thermodynamic point of view. → We find that the entransy is a new thermodynamic property. → The second law of thermodynamics can be described by the entransy and entransy dissipation. → The expressions of entransy dissipation in duct flows and heat exchangers are derived from the second law of thermodynamics.

  10. Variable Thumb Moment Arm Modeling and Thumb-Tip Force Production of a Human-Like Robotic Hand.

    Science.gov (United States)

    Niehues, Taylor D; Deshpande, Ashish D

    2017-10-01

    The anatomically correct testbed (ACT) hand mechanically simulates the musculoskeletal structure of the fingers and thumb of the human hand. In this work, we analyze the muscle moment arms (MAs) and thumb-tip force vectors in the ACT thumb in order to compare the ACT thumb's mechanical structure to the human thumb. Motion data are used to determine joint angle-dependent MA models, and thumb-tip three-dimensional (3D) force vectors are experimentally analyzed when forces are applied to individual muscles. Results are presented for both a nominal ACT thumb model designed to match human MAs and an adjusted model that more closely replicates human-like thumb-tip forces. The results confirm that the ACT thumb is capable of faithfully representing human musculoskeletal structure and muscle functionality. Using the ACT hand as a physical simulation platform allows us to gain a better understanding of the underlying biomechanical and neuromuscular properties of the human hand to ultimately inform the design and control of robotic and prosthetic hands.

  11. The Carriage of goods by Sea Act 1971 (Commencement, Order 1977)

    International Nuclear Information System (INIS)

    1977-01-01

    This Order (S.I. No 981) brought into force the Carriage of Goods by Sea Act 1971 giving effect at internal level to the 1968 Protocol to the International Convention on Certain Rules of Law relating to Bills of Lading 1924 (the Hague Rules). The 1971 Act introduces an amendment to the Nuclear Installations Act 1965 which lays down, as does the Paris Convention, that none of its provisions shall affect the operation of international transport agreements in force in the United Kingdom, and in particular, the Hague Rules. As of now, and in accordance with the 1968 Protocol, the Nuclear Installations Act 1965 no longer reserves application of the Hague Rules. (NEA) [fr

  12. Charge-Induced Fluctuation Forces in Graphitic Nanostructures

    Directory of Open Access Journals (Sweden)

    D. Drosdoff

    2016-01-01

    Full Text Available Charge fluctuations in nanocircuits with capacitor components are shown to give rise to a novel type of long-ranged interaction, which coexist with the regular Casimir–van der Waals force. The developed theory distinguishes between thermal and quantum mechanical effects, and it is applied to capacitors involving graphene nanostructures. The charge fluctuations mechanism is captured via the capacitance of the system with geometrical and quantum mechanical components. The dependence on the distance separation, temperature, size, and response properties of the system shows that this type of force can have a comparable and even dominant effect to the Casimir interaction. Our results strongly indicate that fluctuation-induced interactions due to various thermodynamic quantities can have important thermal and quantum mechanical contributions at the microscale and the nanoscale.

  13. Atomic Energy Authority (Weapons Group) Act 1973

    International Nuclear Information System (INIS)

    1973-01-01

    This Act, which came into force on 6th March 1973 and modified Section 2 of the Atomic Energy Authority Act 1954 in respect of the Authority's power to do work on explosive nuclear devices, made provision for the transfer to the Secretary of State for Defence of the Weapons Group of the Atomic Energy Authority. (NEA) [fr

  14. [Thermodynamics of the origin of life, evolution and aging].

    Science.gov (United States)

    Gladyshev, G P

    2014-01-01

    Briefly discusses the history of the search of thermodynamic approach to explain the origin of life, evolution and aging of living beings. The origin of life is the result of requirement by the quasi-equilibrium hierarchical thermodynamics, in particular, the supramolecular thermodynamics. The evolution and aging of living beings is accompanied with changes of chemical and supramolecular compositions of living bodies, as well as with changes in the composition and structure of all hierarchies of the living world. The thermodynamic principle of substance stability predicts the existence of a single genetic code in our universe. The thermodynamic theory optimizes physiology and medicine and recommends antiaging diets and medicines. Hierarchical thermodynamics forms the design diversity of culture and art. The thermodynamic theory of origin of life, evolution and aging is the development of Clausius-Gibbs thermodynamics. Hierarchical thermodynamics is the mirror of Darwin-Wallace's-theory.

  15. Thermodynamics of negative absolute pressures

    International Nuclear Information System (INIS)

    Lukacs, B.; Martinas, K.

    1984-03-01

    The authors show that the possibility of negative absolute pressure can be incorporated into the axiomatic thermodynamics, analogously to the negative absolute temperature. There are examples for such systems (GUT, QCD) processing negative absolute pressure in such domains where it can be expected from thermodynamical considerations. (author)

  16. Thermodynamic efficiency of nonimaging concentrators

    Science.gov (United States)

    Shatz, Narkis; Bortz, John; Winston, Roland

    2009-08-01

    The purpose of a nonimaging concentrator is to transfer maximal flux from the phase space of a source to that of a target. A concentrator's performance can be expressed relative to a thermodynamic reference. We discuss consequences of Fermat's principle of geometrical optics. We review étendue dilution and optical loss mechanisms associated with nonimaging concentrators, especially for the photovoltaic (PV) role. We introduce the concept of optical thermodynamic efficiency which is a performance metric combining the first and second laws of thermodynamics. The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. Examples are provided to illustrate the use of this new metric. In particular we discuss concentrating PV systems for solar power applications.

  17. One Antimatter— Two Possible Thermodynamics

    Directory of Open Access Journals (Sweden)

    Alexander Y. Klimenko

    2014-02-01

    Full Text Available Conventional thermodynamics, which is formulated for our world populated by radiation and matter, can be extended to describe physical properties of antimatter in two mutually exclusive ways: CP-invariant or CPT-invariant. Here we refer to invariance of physical laws under charge (C, parity (P and time reversal (T transformations. While in quantum field theory CPT invariance is a theorem confirmed by experiments, the symmetry principles applied to macroscopic phenomena or to the whole of the Universe represent only hypotheses. Since both versions of thermodynamics are different only in their treatment of antimatter, but are the same in describing our world dominated by matter, making a clear experimentally justified choice between CP invariance and CPT invariance in context of thermodynamics is not possible at present. This work investigates the comparative properties of the CP- and CPT-invariant extensions of thermodynamics (focusing on the latter, which is less conventional than the former and examines conditions under which these extensions can be experimentally tested.

  18. Thermodynamics of Growth, Non-Equilibrium Thermodynamics of Bacterial Growth : The Phenomenological and the Mosaic Approach

    NARCIS (Netherlands)

    Westerhoff, Hans V.; Lolkema, Juke S.; Otto, Roel; Hellingwerf, K

    1982-01-01

    Microbial growth is analyzed in terms of mosaic and phenomenological non-equilibrium thermodynamics. It turns out that already existing parameters devised to measure bacterial growth, such as YATP, µ, and Qsubstrate, have as thermodynamic equivalents flow ratio, output flow and input flow. With this

  19. The Social Support Act: the story so far

    NARCIS (Netherlands)

    Mirjam de Klerk; Rob Gilsing; Joost Timmermans

    2010-01-01

    Original title: Op weg met de Wmo. The Social Support Act (Wet maatschappelijke ondersteuning - Wmo) came into force in the Netherlands on 1 January 2007. The aim of the Act is to promote people's social and life skills and ability to participate, and to strengthen social cohesion and quality

  20. Microcanonical thermodynamics and statistical fragmentation of dissipative systems. The topological structure of the N-body phase space

    Science.gov (United States)

    Gross, D. H. E.

    1997-01-01

    This review is addressed to colleagues working in different fields of physics who are interested in the concepts of microcanonical thermodynamics, its relation and contrast to ordinary, canonical or grandcanonical thermodynamics, and to get a first taste of the wide area of new applications of thermodynamical concepts like hot nuclei, hot atomic clusters and gravitating systems. Microcanonical thermodynamics describes how the volume of the N-body phase space depends on the globally conserved quantities like energy, angular momentum, mass, charge, etc. Due to these constraints the microcanonical ensemble can behave quite differently from the conventional, canonical or grandcanonical ensemble in many important physical systems. Microcanonical systems become inhomogeneous at first-order phase transitions, or with rising energy, or with external or internal long-range forces like Coulomb, centrifugal or gravitational forces. Thus, fragmentation of the system into a spatially inhomogeneous distribution of various regions of different densities and/or of different phases is a genuine characteristic of the microcanonical ensemble. In these cases which are realized by the majority of realistic systems in nature, the microcanonical approach is the natural statistical description. We investigate this most fundamental form of thermodynamics in four different nontrivial physical cases: (I) Microcanonical phase transitions of first and second order are studied within the Potts model. The total energy per particle is a nonfluctuating order parameter which controls the phase which the system is in. In contrast to the canonical form the microcanonical ensemble allows to tune the system continuously from one phase to the other through the region of coexisting phases by changing the energy smoothly. The configurations of coexisting phases carry important informations about the nature of the phase transition. This is more remarkable as the canonical ensemble is blind against these

  1. JAEA thermodynamic database for performance assessment of geological disposal of high-level and TRU wastes. Selection of thermodynamic data of molybdenum

    International Nuclear Information System (INIS)

    Kitamura, Akira; Kirishima, Akira; Saito, Takumi; Shibutani, Sanae; Tochiyama, Osamu

    2010-06-01

    Within the scope of the JAEA thermodynamic database project for performance assessment of geological disposal of high-level radioactive and TRU wastes, the selection of the thermodynamic data on the inorganic compounds and complexes of molybdenum were carried out. We focused to select thermodynamic data of aqueous species and compounds which could form under repository conditions for the disposal of radioactive wastes, i.e. relatively low concentration of molybdenum and from near neutral through alkaline conditions. Selection of thermodynamic data was based on the guidelines by the Nuclear Energy Agency in the Organisation for Economic Co-operation and Development (OECD/NEA). Extensive literature survey was performed and all the obtained articles were carefully reviewed to select the thermodynamic data for molybdenum. Thermodynamic data at 25degC and zero ionic strength were determined from accepted thermodynamic data which were considered to be reliable. We especially paid attention to select formation constant of molybdate ion (MoO 4 2- ) with hydrogen ion (H + ) in detail. This is the first report in showing selection of thermodynamic data for molybdenum with detailed reviewing process. (author)

  2. Against acts of nuclear terrorism

    International Nuclear Information System (INIS)

    Heller, W.

    2007-01-01

    The Act on the International Convention of the United Nations of April 13, 2005 on Combating Acts of Nuclear Terrorism was promulgated in the German Federal Gazette and entered into force one day later. The Convention expresses the deep concern about the worldwide escalation of all kinds and manifestations of acts of terrorism. What was true in April 2005 (the year the UN convention was adopted) is even more true today. At the same time, however, the Convention recognizes the right of all nations to develop and use nuclear power for peaceful purposes, acknowledging their justified interest in the possible benefits of the peaceful uses of nuclear power. As the Convention was signed in German still during the term of office of the Red-Green government, this passage is a remarkable acceptance of the realities of the world and past peaceful uses of nuclear power in Germany. Whether or not the convention will become an effective instrument to be used against acts of nuclear terrorism and threats depends on its entering into force after deposition of 22 ratification documents, and on as many states as possible acceding to it. Irrespective of these aspects, action in the spirit of the Convention should be taken now, criminal law should be adapted, and international cooperation should be improved and strengthened. (orig.)

  3. THERMODYNAMIC STUDIES ON THE CHARGE-TRANSFER ...

    African Journals Online (AJOL)

    ... technique was employed to investigate thermodynamic parameters associated with the interaction ... KEY WORDS: Amitriptyline , chloranilic acid, thermodynamic parameters. Global Jnl Pure & Applied Sciences Vol.10(1) 2004: 147-153 ...

  4. Thermodynamics for engineers

    CERN Document Server

    Wong, Kaufui Vincent

    2011-01-01

    Praise for the First Edition from Students: "It is a great thermodynamics text…I loved it!-Mathew Walters "The book is comprehensive and easy to understand. I love the real world examples and problems, they make you feel like you are learning something very practical."-Craig Paxton"I would recommend the book to friends."-Faure J. Malo-Molina"The clear diction, as well as informative illustrations and diagrams, help convey the material clearly to the reader."-Paul C. Start"An inspiring and effective tool for any aspiring scientist or engineer. Definitely the best book on Classical Thermodynamics out."-Seth Marini.

  5. Thermodynamic equilibrium-air correlations for flowfield applications

    Science.gov (United States)

    Zoby, E. V.; Moss, J. N.

    1981-01-01

    Equilibrium-air thermodynamic correlations have been developed for flowfield calculation procedures. A comparison between the postshock results computed by the correlation equations and detailed chemistry calculations is very good. The thermodynamic correlations are incorporated in an approximate inviscid flowfield code with a convective heating capability for the purpose of defining the thermodynamic environment through the shock layer. Comparisons of heating rates computed by the approximate code and a viscous-shock-layer method are good. In addition to presenting the thermodynamic correlations, the impact of several viscosity models on the convective heat transfer is demonstrated.

  6. Chemical thermodynamics. An introduction

    Energy Technology Data Exchange (ETDEWEB)

    Keszei, Ernoe [Budapest Univ. (Hungary). Dept. of Physical Chemistry

    2012-07-01

    Eminently suitable as a required textbook comprising complete material for or an undergraduate chemistry major course in chemical thermodynamics. Clearly explains details of formal derivations that students can easily follow and so master applied mathematical operations. Offers problems and solutions at the end of each chapter for self-test and self- or group study. This course-derived undergraduate textbook provides a concise explanation of the key concepts and calculations of chemical thermodynamics. Instead of the usual 'classical' introduction, this text adopts a straightforward postulatory approach that introduces thermodynamic potentials such as entropy and energy more directly and transparently. Structured around several features to assist students' understanding, Chemical Thermodynamics: - Develops applications and methods for the ready treatment of equilibria on a sound quantitative basis. - Requires minimal background in calculus to understand the text and presents formal derivations to the student in a detailed but understandable way. - Offers end-of-chapter problems (and answers) for self-testing and review and reinforcement, of use for self- or group study. This book is suitable as essential reading for courses in a bachelor and master chemistry program and is also valuable as a reference or textbook for students of physics, biochemistry and materials science.

  7. Effects of chemical structure on the thermodynamic efficiency of radical chain carriers for organic synthesis.

    Science.gov (United States)

    Lin, Ching Yeh; Peh, Jessie; Coote, Michelle L

    2011-03-18

    The chain carrier index (CCI), defined as the ratio of the bond dissociation free energies (BDFE) of corresponding chain carrier halides and hydrides, is proposed as a measure of the thermodynamic efficiency of chain carriers for radical dehalogenation. The larger this value is relative to the corresponding value of the organic substrate, the more thermodynamically efficient the process. The chloride and bromide CCIs were evaluated at the G3(MP2)-RAD(+) level of theory for 120 different R-groups, covering a broad range of carbon-centered and noncarbon-centered species; the effects of solvent and temperature have also been studied. The broad finding from this work is that successful chain carriers generally maximize the strength of their halide (versus hydride bonds) through charge-shift bonding. As a result, the thermodynamic efficiency of a chain carrier tends to increase down the periodic table, and also with the inclusion of stronger electron donating substituents. The CCIs of carbon-centered species fall into a relatively narrow range so that, even when the CCI is maximized through inclusion of lone pair donor OMe or NMe(2) groups, the thermodynamic driving force for dehalogenation of other organic substrates is modest at best, and the process is likely to be kinetically hampered. Among the noncarbon-centered species studied, bismuth- and borane-centered compounds have some of the highest CCI values and, although their kinetics requires further optimization, these classes of compounds would be worth further investigation as tin-free radical reducing agents.

  8. JAEA thermodynamic database for performance assessment of geological disposal of high-level and TRU wastes. Selection of thermodynamic data of selenium

    International Nuclear Information System (INIS)

    Doi, Reisuke; Kitamura, Akira; Yui, Mikazu

    2010-02-01

    Within the scope of the JAEA thermodynamic database project for performance assessment of geological disposal of high-level and TRU radioactive wastes, the selection of the thermodynamic data on the inorganic compounds and complexes of selenium was carried out. Selection of thermodynamic data of selenium was based on a thermodynamic database of selenium published by the Nuclear Energy Agency in the Organisation for Economic Co-operation and Development (OECD/NEA). The remarks of a thermodynamic database by OECD/NEA found by the authors were noted in this report and then thermodynamic data was reviewed after surveying latest literatures. Some thermodynamic values of iron selenides were not selected by the OECD/NEA due to low reliability. But they were important for the performance assessment of geological disposal of radioactive wastes, so we selected them as a tentative value with specifying reliability and needs of the value to be determined. (author)

  9. 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

  10. Thermodynamics of Enzyme-Catalyzed Reactions Database

    Science.gov (United States)

    SRD 74 Thermodynamics of Enzyme-Catalyzed Reactions Database (Web, free access)   The Thermodynamics of Enzyme-Catalyzed Reactions Database contains thermodynamic data on enzyme-catalyzed reactions that have been recently published in the Journal of Physical and Chemical Reference Data (JPCRD). For each reaction the following information is provided: the reference for the data, the reaction studied, the name of the enzyme used and its Enzyme Commission number, the method of measurement, the data and an evaluation thereof.

  11. Thermal physics kinetic theory and thermodynamics

    CERN Document Server

    Singh, Devraj; Yadav, Raja Ram

    2016-01-01

    THERMAL PHYSICS: Kinetic Theory and Thermodynamics is designed for undergraduate course in Thermal Physics and Thermodynamics. The book provides thorough understanding of the fundamental principles of the concepts in Thermal Physics. The book begins with kinetic theory, then moves on liquefaction, transport phenomena, the zeroth, first, second and third laws, thermodynamics relations and thermal conduction. The book concluded with radiation phenomenon. KEY FEATURES: * Include exercises * Short Answer Type Questions * Long Answer Type Questions * Numerical Problems * Multiple Choice Questions

  12. On thermodynamic limits of entropy densities

    NARCIS (Netherlands)

    Moriya, H; Van Enter, A

    We give some sufficient conditions which guarantee that the entropy density in the thermodynamic limit is equal to the thermodynamic limit of the entropy densities of finite-volume (local) Gibbs states.

  13. Limits of predictions in thermodynamic systems: a review

    Science.gov (United States)

    Marsland, Robert, III; England, Jeremy

    2018-01-01

    The past twenty years have seen a resurgence of interest in nonequilibrium thermodynamics, thanks to advances in the theory of stochastic processes and in their thermodynamic interpretation. Fluctuation theorems provide fundamental constraints on the dynamics of systems arbitrarily far from thermal equilibrium. Thermodynamic uncertainty relations bound the dissipative cost of precision in a wide variety of processes. Concepts of excess work and excess heat provide the basis for a complete thermodynamics of nonequilibrium steady states, including generalized Clausius relations and thermodynamic potentials. But these general results carry their own limitations: fluctuation theorems involve exponential averages that can depend sensitively on unobservably rare trajectories; steady-state thermodynamics makes use of a dual dynamics that lacks any direct physical interpretation. This review aims to present these central results of contemporary nonequilibrium thermodynamics in such a way that the power of each claim for making physical predictions can be clearly assessed, using examples from current topics in soft matter and biophysics.

  14. Some aspects of plasma thermodynamics

    International Nuclear Information System (INIS)

    Gorgoraki, V.I.

    1986-01-01

    The objective reasons which have inhibited the development of a plasma-thermodynamics theory are discussed and the authors formulate the fundamental principles which can be the basis of a common plasma-thermodynamics theory. Two kinds of thermodynamic equilibrium plasmas are discussed, an isothermal plasma and a nonisothermal plasma. An isothermal plasma is a high-temperature plasma; the Saha-Eggert equation describes its behavior. A nonisothermal plasma is a low-temperature plasma, and the reactions taking place therein are purely plasma-chemical. The ionization equilibrium and the composition of such a plasma can be found with the aid of the equations presented in this paper

  15. Size Dependent Orientation of Knudsen Force

    KAUST Repository

    Zhu, Taishan

    2012-03-03

    Knudsen force acting on a heated microbeam adjacent to a cold substrate in a rarefied gas is a mechanical force created by unbalanced thermal gradients. The measured force has its direction pointing towards the side with a lower thermal gradient and its magnitude vanishes in both continuum and free-molecule limits. In our previous study, negative Knudsen forces were discovered at the high Knudsen regime before diminishing in the free-molecule limit. Such a phenomenon was however not observed in the experiment. In this paper, the existence of such a negative Knudsen force is further confirmed using both numerical simulation and theoretical analysis. The asymptotic order of the Knudsen force near the collisionless limit is analyzed and the analytical expression of its leading term is provided, from which approaches for the enhancement of negative Knudsen forces are proposed. Copyright © 2012 by ASME.

  16. Fundamental functions in equilibrium thermodynamics

    NARCIS (Netherlands)

    Horst, H.J. ter

    In the standard presentations of the principles of Gibbsian equilibrium thermodynamics one can find several gaps in the logic. For a subject that is as widely used as equilibrium thermodynamics, it is of interest to clear up such questions of mathematical rigor. In this paper it is shown that using

  17. Elementary statistical thermodynamics a problems approach

    CERN Document Server

    Smith, Norman O

    1982-01-01

    This book is a sequel to my Chemical Thermodynamics: A Prob­ lems Approach published in 1967, which concerned classical thermodynamics almost exclusively. Most books on statistical thermodynamics now available are written either for the superior general chemistry student or for the specialist. The author has felt the need for a text which would bring the intermediate reader to the point where he could not only appreciate the roots of the subject but also have some facility in calculating thermodynamic quantities. Although statistical thermodynamics comprises an essential part of the college training of a chemist, its treatment in general physical chem­ istry texts is, of necessity, compressed to the point where the less competent student is unable to appreciate or comprehend its logic and beauty, and is reduced to memorizing a series of formulas. It has been my aim to fill this need by writing a logical account of the foundations and applications of the sub­ ject at a level which can be grasped by an under...

  18. Thermodynamic data-base for metal fluorides

    Energy Technology Data Exchange (ETDEWEB)

    Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

    2001-05-01

    This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project.

  19. Thermodynamics of Inozemtsev's elliptic spin chain

    International Nuclear Information System (INIS)

    Klabbers, Rob

    2016-01-01

    We study the thermodynamic behaviour of Inozemtsev's long-range elliptic spin chain using the Bethe ansatz equations describing the spectrum of the model in the infinite-length limit. We classify all solutions of these equations in that limit and argue which of these solutions determine the spectrum in the thermodynamic limit. Interestingly, some of the solutions are not selfconjugate, which puts the model in sharp contrast to one of the model's limiting cases, the Heisenberg XXX spin chain. Invoking the string hypothesis we derive the thermodynamic Bethe ansatz equations (TBA-equations) from which we determine the Helmholtz free energy in thermodynamic equilibrium and derive the associated Y-system. We corroborate our results by comparing numerical solutions of the TBA-equations to a direct computation of the free energy for the finite-length hamiltonian. In addition we confirm numerically the interesting conjecture put forward by Finkel and González-López that the original and supersymmetric versions of Inozemtsev's elliptic spin chain are equivalent in the thermodynamic limit.

  20. Thermodynamic data-base for metal fluorides

    International Nuclear Information System (INIS)

    Yoo, Jae Hyung; Lee, Byung Gik; Kang, Young Ho and others

    2001-05-01

    This study is aimed at collecting useful data of thermodynamic properties of various metal fluorides. Many thermodynamic data for metal fluorides are needed for the effective development, but no report of data-base was published. Accordingly, the objective of this report is to rearrange systematically the existing thermodynamic data based on metal fluorides and is to use it as basic data for the development of pyrochemical process. The physicochemical properties of various metal fluorides and metals were collected from literature and such existing data base as HSC code, TAPP code, FACT code, JANAF table, NEA data-base, CRC handbook. As major contents of the thermodynamic data-base, the physicochemical properties such as formation energy, viscosity, density, vapor pressure, etc. were collected. Especially, some phase diagrams of eutectic molten fluorides are plotted and thermodynamic data of liquid metals are also compiled. In the future, the technical report is to be used as basic data for the development of the pyrochemical process which is being carried out as a long-term nuclear R and D project

  1. Optima and bounds for irreversible thermodynamic processes

    International Nuclear Information System (INIS)

    Hoffmann, K.H.

    1990-01-01

    In this paper bounds and optima for irreversible thermodynamic processes and their application in different fields are discussed. The tools of finite time thermodynamics are presented and especially optimal control theory is introduced. These methods are applied to heat engines, including models of the Diesel engine and a light-driven engine. Further bounds for irreversible processes are introduced, discussing work deficiency and its relation to thermodynamic length. Moreover the problem of dissipation in systems composed of several subsystems is studied. Finally, the methods of finite time thermodynamics are applied to thermodynamic processes described on a more microscopic level. The process used as an example is simulated annealing. It is shown how optimal control theory is applied to find the optimal cooling schedule for this important stochastic optimization method

  2. Quantum thermodynamics. Emergence of thermodynamic behavior within composite quantum systems. 2. ed.

    International Nuclear Information System (INIS)

    Gemmer, Jochen; Michel, M.; Mahler, Guenter

    2009-01-01

    This introductory text treats thermodynamics as an incomplete description of quantum systems with many degrees of freedom. Its main goal is to show that the approach to equilibrium -with equilibrium characterized by maximum ignorance about the open system of interest- neither requires that many particles nor is the precise way of partitioning, relevant for the salient features of equilibrium and equilibration. Furthermore, the text depicts that it is indeed quantum effects that are at work in bringing about thermodynamic behavior of modest-sized open systems, thus making Von Neumann's concept of entropy appear much more widely useful than sometimes feared, far beyond truly macroscopic systems in equilibrium. This significantly revised and expanded second edition pays more attention to the growing number of applications, especially non-equilibrium phenomena and thermodynamic processes of the nano-domain. In addition, to improve readability and reduce unneeded technical details, a large portion of this book has been thoroughly rewritten. (orig.)

  3. Casimir effect and thermodynamics of horizon instabilities

    International Nuclear Information System (INIS)

    Hartnoll, Sean A.

    2004-01-01

    We propose a dual thermodynamic description of a classical instability of generalized black hole spacetimes. From a thermodynamic perspective, the instability is due to negative compressibility in regions where the Casimir pressure is large. The argument indicates how the correspondence between thermodynamic and classical instability for horizons may be extended to cases without translational invariance

  4. Origin of Knudsen forces on heated microbeams

    KAUST Repository

    Zhu, Taishan

    2010-09-09

    The presented work probes the fundamentals of Knudsen forces. Using the direct simulation Monte Carlo (DSMC) method, the flows induced by temperature inhomogeneity within a representative configuration and the Knudsen force acting on a heated microbeam are captured as functions of Knudsen number in the entire flow regime. Both flow strength and Knudsen force peak in the transition regime and negative Knudsen force absent in experimental data is observed. The mechanisms of the thermally induced flows and Knudsen forces are studied. It has been found that thermal edge flow is the main driven source for the formation of the Knudsen force on microbeams and domain configuration plays an important role in the process.

  5. Thermodynamic properties of water solvating biomolecular surfaces

    Science.gov (United States)

    Heyden, Matthias

    Changes in the potential energy and entropy of water molecules hydrating biomolecular interfaces play a significant role for biomolecular solubility and association. Free energy perturbation and thermodynamic integration methods allow calculations of free energy differences between two states from simulations. However, these methods are computationally demanding and do not provide insights into individual thermodynamic contributions, i.e. changes in the solvent energy or entropy. Here, we employ methods to spatially resolve distributions of hydration water thermodynamic properties in the vicinity of biomolecular surfaces. This allows direct insights into thermodynamic signatures of the hydration of hydrophobic and hydrophilic solvent accessible sites of proteins and small molecules and comparisons to ideal model surfaces. We correlate dynamic properties of hydration water molecules, i.e. translational and rotational mobility, to their thermodynamics. The latter can be used as a guide to extract thermodynamic information from experimental measurements of site-resolved water dynamics. Further, we study energy-entropy compensations of water at different hydration sites of biomolecular surfaces. This work is supported by the Cluster of Excellence RESOLV (EXC 1069) funded by the Deutsche Forschungsgemeinschaft.

  6. Domains of Pyrococcus furiosus L-asparaginase fold sequentially and assemble through strong intersubunit associative forces.

    Science.gov (United States)

    Garg, Dushyant K; Tomar, Rachana; Dhoke, Reema R; Srivastava, Ankit; Kundu, Bishwajit

    2015-05-01

    Here, we report the folding and assembly of a Pyrococcus furiosus-derived protein, L-asparaginase (PfA). PfA functions as a homodimer, with each monomer made of distinct N- and C-terminal domains. The purified individual domains as well as single Trp mutant of each domain were subjected to chemical denaturation/renaturation and probed by combination of spectroscopic, chromatographic, quenching and scattering techniques. We found that the N-domain acts like a folding scaffold and assists the folding of remaining polypeptide. The domains displayed sequential folding with the N-domain having higher thermodynamic stability. We report that the extreme thermal stability of PfA is due to the presence of high intersubunit associative forces supported by extensive H-bonding and ionic interactions network. Our results proved that folding cooperativity in a thermophilic, multisubunit protein is dictated by concomitant folding and association of constituent domains directly into a native quaternary structure. This report gives an account of the factors responsible for folding and stability of a therapeutically and industrially important protein.

  7. Computational Thermodynamics of Materials Zi-Kui Liu and Yi Wang

    Energy Technology Data Exchange (ETDEWEB)

    Devanathan, Ram

    2017-02-01

    thermodynamic concepts clearly and directs readers to appropriate references for advanced concepts and details of software implementation. The list of references is quite comprehensive. The authors make liberal use of diagrams to illustrate key concepts. The two Appendices at the end discuss software requirements and the file structure, and present templates for special quasi-random structures. There is also a link to download pre-compiled binary files of the YPHON code for Linux or Microsoft Windows systems. The exercises at the end of the chapters assume that the reader has access to VASP, which is not freeware. Readers without access to this code can work on a limited number of exercises. However, results from other first principles codes can be organized in the YPHON format as explained in the Appendix. This book will serve as an excellent reference on computational thermodynamics and the exercises provided at the end of each chapter make it valuable as a graduate level textbook. Reviewer: Ram Devanathan is Acting Director of Earth Systems Science Division, Pacific Northwest National Laboratory, USA.

  8. On the generalized potential of inertial forces

    International Nuclear Information System (INIS)

    Siboni, S

    2009-01-01

    The generalized potential of the inertial forces acting on a holonomic system in an accelerated reference frame is derived in a way which admits a simple physical interpretation. It is shown that the generalized potential refers to all the inertial forces and, apart from the very special case of a uniformly rotating frame, it is impossible to distinguish a contribution to only the Coriolis force and a contribution pertaining to the residual, velocity-independent fictitious forces. Such an approach to the determination of the generalized potential of inertial forces may be helpful in introducing the topic of the generalized potential to advanced undergraduate and graduate students

  9. Dynamic analysis of fast-acting solenoid valves using finite element method

    International Nuclear Information System (INIS)

    Kwon, Ki Tae; Han, Hwa Taik

    2001-01-01

    It is intended to develop an algorithm for dynamic simulation of fast-acting solenoid valves. The coupled equations of the electric, magnetic, and mechanical systems should be solved simultaneously in a transient nonlinear manner. The transient nonlinear electromagnetic field is analyzed by the Finite Element Method (FEM), which is coupled with nonlinear electronic circuitry. The dynamic movement of the solenoid valve is analyzed at every time step from the force balances acting on the plunger, which include the electromagnetic force calculated from the finite element analysis as well as the elastic force by a spring and the hydrodynamic pressure force along the flow passage. Dynamic responses of the solenoid valves predicted by this algorithm agree well the experimental results including bouncing effects

  10. 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.

  11. The thermodynamic-buffer enzymes.

    Science.gov (United States)

    Stucki, J W

    1980-08-01

    Oxidative phosphorylation operates at optimal efficiency if and only if the condition of conductance matching L33/L11 = square root 1-q2 is fulfilled. In this relation L11 is the phenomenological conductance of phosphorylation, L33 the phenomenological conductance of the load, i.e. the irreversible ATP-utilizing processes in the cell, and q the degree of coupling of oxidative phosphorylation driven by respiration. Since during short time intervals L11 and q are constant whereas L33 fluctuates in the cell, oxidative phosphorylation would only rarely operate at optimal efficiency due to violation of conductance matching. This paper demonstrates that the reversible ATP-utilizing reaction catalyzed by adenylate kinase can effectively compensate deviations from conductance matching in the presence of a fluctuating L33 and hence allows oxidative phosphorylation to operate at optimal efficiency in the cell. Since the adenylate kinase reaction was found to buffer a thermodynamic potential, i.e. the phosphate potential, this finding was generalized to the concept of thermodynamic buffering. The thermodynamic buffering ability of the adenylate kinase reaction was demonstrated by experiments with incubated rat-liver mitochondria. Considerations of changes introduced in the entropy production by the adenylate kinase reaction allowed to establish the theoretical framework for thermodynamic buffering. The ability of thermodynamic buffering to compensate deviations from conductance matching in the presence of fluctuating loads was demonstrated by computer simulations. The possibility of other reversible ATP-utilizing reactions, like the ones catalyzed by creatine kinase and arginine kinase, to contribute to thermodynamic buffering is discussed. Finally, the comparison of the theoretically calculated steady-stae cytosolic adenine nucleotide concentrations with experimental data from perfused livers demonstrated that in livers from fed rats conductance matching is fulfilled on a

  12. 76 FR 53421 - Privacy Act of 1974; System of Records

    Science.gov (United States)

    2011-08-26

    ..., Air Force Privacy Act Office, Office of Warfighting Integration and Chief Information Officer, ATTN...: Name, signatures, personal contact information, individual's employer and institutional, organizational..., Historical Products, Services, and Requirements; Air Force Instruction 84-105, Organizational Lineage, Honors...

  13. 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)

  14. No 592 - Radiation Act

    International Nuclear Information System (INIS)

    1991-01-01

    This Act will enter into force on 1 January 1992. The scope of the Act is extensive as, in addition to ionizing radiation, it will also apply to activities involving exposure to natural radiation and non-ionizing radiation. Its purpose is to prevent and restrict harmful effects to health resulting from radiation. The basic principles of the Act are that the practice involving radiation should be justified; radiation protection should be optimized; and radiation doses should be as low as reasonably achievable. Licensed organisations using radiation will be responsible for the safety of the activity involving exposure to radiation and for having available the appropriate expertise to this effect. The required so-called safety licence provides the regulatory control to ensure that radiation is used sensibly, that the equipment and shields are technically acceptable and the operating personnel is competent, and that the radioactive waste is dealt with appropriately. The Radiation Act will also apply to nuclear activities within the scope of the 1987 Nuclear Energy Act [fr

  15. Self-acting shaft seals

    Science.gov (United States)

    Ludwig, L. P.

    1978-01-01

    Self-acting seals are described in detail. The mathematical models for obtaining a seal force balance and the equilibrium operating film thickness are outlined. Particular attention is given to primary ring response (seal vibration) to rotating seat face runout. This response analysis reveals three different vibration models with secondary seal friction being an important parameter. Leakage flow inlet pressure drop and affects of axisymmetric sealing face deformations are discussed. Experimental data on self-acting face seals operating under simulated gas turbine conditions are given. Also a spiral groove seal design operated to 244 m/sec (800 ft/sec) is described.

  16. HESS Opinions "Biological catalysis of the hydrological cycle: life's thermodynamic function"

    Science.gov (United States)

    Michaelian, K.

    2012-08-01

    Darwinian theory depicts life as being overwhelmingly consumed by a fight for survival in a hostile environment. However, from a thermodynamic perspective, life is a dynamic, out of equilibrium process, stabilizing and coevolving in concert with its abiotic environment. The living components of the biosphere on the Earth's surface of greatest biomass, the plants and cyanobacteria, are involved in the transpiration of a vast amount of water. Transpiration is part of the global water cycle, and it is this cycle that distinguishes Earth from its apparently life-barren neighboring planets, Venus and Mars. The dissipation of sunlight into heat by organic molecules in the biosphere, and its coupling to the water cycle (as well as other abiotic processes), is by far the greatest entropy-producing process occurring on Earth. Life, from this perspective, can be viewed as performing an important thermodynamic function, acting as a dynamic catalyst by aiding irreversible abiotic processes such as the water cycle, hurricanes, and ocean and wind currents to produce entropy. The role of animals in this view is that of unwitting but dedicated servants of the plants and cyanobacteria, helping them to grow, and to spread into initially inhospitable areas.

  17. HESS Opinions "Biological catalysis of the hydrological cycle: life's thermodynamic function"

    Directory of Open Access Journals (Sweden)

    K. Michaelian

    2012-08-01

    Full Text Available Darwinian theory depicts life as being overwhelmingly consumed by a fight for survival in a hostile environment. However, from a thermodynamic perspective, life is a dynamic, out of equilibrium process, stabilizing and coevolving in concert with its abiotic environment. The living components of the biosphere on the Earth's surface of greatest biomass, the plants and cyanobacteria, are involved in the transpiration of a vast amount of water. Transpiration is part of the global water cycle, and it is this cycle that distinguishes Earth from its apparently life-barren neighboring planets, Venus and Mars. The dissipation of sunlight into heat by organic molecules in the biosphere, and its coupling to the water cycle (as well as other abiotic processes, is by far the greatest entropy-producing process occurring on Earth. Life, from this perspective, can be viewed as performing an important thermodynamic function, acting as a dynamic catalyst by aiding irreversible abiotic processes such as the water cycle, hurricanes, and ocean and wind currents to produce entropy. The role of animals in this view is that of unwitting but dedicated servants of the plants and cyanobacteria, helping them to grow, and to spread into initially inhospitable areas.

  18. Thermodynamics from Car to Kitchen

    Science.gov (United States)

    Auty, Geoff

    2014-01-01

    The historical background to the laws of thermodynamics is explained using examples we can all observe in the world around us, focusing on motorised transport, refrigeration and solar heating. This is not to be considered as an academic article. The purpose is to improve understanding of thermodynamics rather than impart new knowledge, and for…

  19. Light-induced attractive force between two metal bodies separated by a subwavelength slit

    International Nuclear Information System (INIS)

    Nesterov, Vladimir; Frumin, Leonid

    2011-01-01

    A novel light-induced attractive force which acts as a force with negative light pressure has been revealed. The force arises by the interaction of plasmon polaritons which are excited at the surface of metal when a transverse magnetic mode propagates through a subwavelength slit between two metal bodies. The estimation of the repulsive force acting on the metal walls of the slit in the case of subwavelength TE mode propagation along the slit is presented. The explicit analytical expressions of light-induced forces between two macroscopic metal bodies or films separated by a subwavelength slit have been derived. These forces could be used to manipulate metallic macro-, micro- and nano-objects in vacuum or in a dielectric medium. Estimations of these light-induced forces show that the forces are sufficient for measurements and practical applications

  20. Thermodynamics of Crystalline States

    CERN Document Server

    Fujimoto, Minoru

    2010-01-01

    Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...

  1. Thermodynamics of Small Alkali Metal Halide Cluster Ions: Comparison of Classical Molecular Simulations with Experiment and Quantum Chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Vlcek, Lukas [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Uhlik, Filip [Charles Univ., Prague (Czech Republic); Moucka, Filip [Purkinje Univ. (Czech Republic); Nezbeda, Ivo [Purkinje Univ. (Czech Republic); Academy of Sciences of the Czech Republic (ASCR), Prague (Czech Republic); Chialvo, Ariel A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-12-16

    We evaluate the ability of selected classical molecular models to describe the thermodynamic and structural aspects of gas-phase hydration of alkali halide ions and the formation of small water clusters. To understand the effect of many-body interactions (polarization) and charge penetration effects on the accuracy of a force field, we perform Monte Carlo simulations with three rigid water models using different functional forms to account for these effects: (i) point charge non-polarizable SPC/E, (ii) Drude point charge polarizable SWM4- DP, and (iii) Drude Gaussian charge polarizable BK3. Model predictions are compared with experimental Gibbs free energies and enthalpies of ion hydration, and with microscopic structural properties obtained from quantum DFT calculations. We find that all three models provide comparable predictions for pure water clusters and cation hydration, but differ significantly in their description of anion hydration. None of the investigated classical force fields can consistently and quantitatively reproduce the experimental gas phase hydration thermodynamics. The outcome of this study highlights the relation between the functional form that describes the effective intermolecular interactions and the accuracy of the resulting ion hydration properties.

  2. Merchant shipping (Safety Convention) Act 1977

    International Nuclear Information System (INIS)

    1977-01-01

    When this Act comes into force, it will enable the United Kingdom to ratify and to give effect to the 1974 International Convention for the Safety of Life at Sea (the SOLAS Convention) which replaces the SOLAS Convention of 1960. Under the Act, the Secretary of State may make such rules as he considers appropriate regarding ships provided with nuclear power plants in accordance with Chapter VIII of the Annex to the 1974 Convention and to Recommendations attached to it, dealing with nuclear ships, and insofar as those provisions have not been implemented by the Merchant Shipping Acts 1894 to 1974. (NEA) [fr

  3. Radioactive Material (Road Transport) Act 1991

    International Nuclear Information System (INIS)

    1991-01-01

    This Act came into force on 27 August 1991. It replaces earlier legislation dating from 1948 and enables the United Kingdom to give effect to the International Atomic Energy Agency's (IAEA) latest recommended Regulations for the Safe Transport of Radioactive Material. The new Act clarifies and extends the power of the Secretary of State to make regulations regarding, among other things, the design, labelling, handling, transport and delivery of packages containing radioactive material and the placarding of vehicles transporting such packages. The Act gives the Secretary of State the power to appoint inspectors to assist him in enforcing the regulations. (NEA)

  4. 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.

  5. Multi-pressure boiler thermodynamics analysis code

    International Nuclear Information System (INIS)

    Lorenzoni, G.

    1992-01-01

    A new method and the relative FORTRAN program for the thermodynamics design analysis of a multipressure boiler are reported. This method permits the thermodynamics design optimization with regard to total exergy production and a preliminary costs

  6. A quantum analogy for the linear thermodynamics of irreversible processes

    International Nuclear Information System (INIS)

    Ibanez-Mengual, J.A.; Tejerina-Garcia, A.F.

    1981-01-01

    In this paper, a model for the transport through a liquid junction of two solutions of the same components, based on quantum-mechanical considerations, is established. A small energy difference, compared with the molecules' energy, among the molecules placed at both sides of the junction is assumed to exist. The liquid junction is assimilated to a potential barrier, getting the material flow from the transmission coefficient of the barrier, when the energy difference is caused by a temperature gradient, a concentration gradient, or both gradients acting together. In all cases, equations formally identical to those of the thermodynamics of irreversible processes are obtained. In the last case, the heat flow is also determined. (author)

  7. Canonical operator formulation of nonequilibrium thermodynamics

    International Nuclear Information System (INIS)

    Mehrafarin, M.

    1992-09-01

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

  8. Thermodynamic analysis of elastic-plastic deformation

    International Nuclear Information System (INIS)

    Lubarda, V.

    1981-01-01

    The complete set of constitutive equations which fully describes the behaviour of material in elastic-plastic deformation is derived on the basis of thermodynamic analysis of the deformation process. The analysis is done after the matrix decomposition of the deformation gradient is introduced into the structure of thermodynamics with internal state variables. The free energy function, is decomposed. Derive the expressions for the stress response, entropy and heat flux, and establish the evolution equation. Finally, we establish the thermodynamic restrictions of the deformation process. (Author) [pt

  9. Thermodynamic laws apply to brain function.

    Science.gov (United States)

    Salerian, Alen J

    2010-02-01

    Thermodynamic laws and complex system dynamics govern brain function. Thus, any change in brain homeostasis by an alteration in brain temperature, neurotransmission or content may cause region-specific brain dysfunction. This is the premise for the Salerian Theory of Brain built upon a new paradigm for neuropsychiatric disorders: the governing influence of neuroanatomy, neurophysiology, thermodynamic laws. The principles of region-specific brain function thermodynamics are reviewed. The clinical and supporting evidence including the paradoxical effects of various agents that alter brain homeostasis is demonstrated.

  10. The Theory of Thermodynamic Systems with Internal Variables of State: Necessary and Sufficient Conditions for Compliance with the Second Law of Thermodynamics

    Science.gov (United States)

    Shnip, A. I.

    2018-01-01

    Based on the entropy-free thermodynamic approach, a generalized theory of thermodynamic systems with internal variables of state is being developed. For the case of nonlinear thermodynamic systems with internal variables of state and linear relaxation, the necessary and sufficient conditions have been proved for fulfillment of the second law of thermodynamics in entropy-free formulation which, according to the basic theorem of the theory, are also necessary and sufficient for the existence of a thermodynamic potential. Moreover, relations of correspondence between thermodynamic systems with memory and systems with internal variables of state have been established, as well as some useful relations in the spaces of states of both types of systems.

  11. Ch. 33 Modeling: Computational Thermodynamics

    International Nuclear Information System (INIS)

    Besmann, Theodore M.

    2012-01-01

    This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.

  12. Thermodynamics of urban population flows.

    Science.gov (United States)

    Hernando, A; Plastino, A

    2012-12-01

    Orderliness, reflected via mathematical laws, is encountered in different frameworks involving social groups. Here we show that a thermodynamics can be constructed that macroscopically describes urban population flows. Microscopic dynamic equations and simulations with random walkers underlie the macroscopic approach. Our results might be regarded, via suitable analogies, as a step towards building an explicit social thermodynamics.

  13. The effect of composition and thermodynamics on the surface morphology of durable superhydrophobic polymer coatings

    Directory of Open Access Journals (Sweden)

    Nahum T

    2017-02-01

    Full Text Available Tehila Nahum,1 Hanna Dodiuk,2 Samuel Kenig,2 Artee Panwar,1 Carol Barry,1 Joey Mead,1 1Department of Plastics Engineering, University of Massachusetts Lowell, Lowell, MA, USA; 2Department of Polymers and Plastics Engineering, Shenkar College of Engineering Design and Art, Ramat Gan, Israel Abstract: Durable superhydrophobic coatings were synthesized using a system of silica nanoparticles (NPs to provide nanoscale roughness, fluorosilane to give hydrophobic chemistry, and three different polymer binders: urethane acrylate, ethyl 2-cyanoacrylate, and epoxy. Coatings composed of different binders incorporating NPs in various concentrations exhibited different superhydrophobic attributes when applied on polycarbonate (PC and glass substrates and as a function of coating composition. It was found that the substrate surface characteristics and wettability affected the superhydrophobic characteristics of the coatings. Interfacial tension and spreading coefficient parameters (thermodynamics of the coating components were used to predict the localization of the NPs for the different binders’ concentrations. The thermodynamic analysis of the NPs localization was in good agreement with the experimental observations. On the basis of the thermodynamic analysis and the experimental scanning electron microscopy, X-ray photoelectron spectroscopy, profilometry, and atomic force microscopy results, it was concluded that localization of the NPs on the surface was critical to provide the necessary roughness and resulting superhydrophobicity. The durability evaluated by tape testing of the epoxy formulations was the best on both glass and PC. Several coating compositions retained their superhydrophobicity after the tape test. In summary, it was concluded that thermodynamic analysis is a powerful tool to predict the roughness of the coating due to the location of NPs on the surface, and hence can be used in the design of superhydrophobic coatings. Keywords

  14. 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.)

  15. Electromotive force measurement of lanthanides in Bi solution

    International Nuclear Information System (INIS)

    Sheng, Jiawei; Yamana, Hajimu; Moriyama, Hirotake

    2000-01-01

    The thermodynamic properties of Tb, Dy and Ho dissolved in liquid Bi were determined by the electromotive force (EMF) measurement method. The EMF of the following galvanic cell was measured in the range of 500-800degC over a wide range of solute concentration. Ln(solid)|KCl-LiCl|Ln-Bi (solution) There was observed a linear relationship between the EMFs and the lanthanide (Ln) concentrations in liquid Bi phase at a constant temperature, which agreed with the Nernst's equation. The obtained activity coefficients of lanthanides in liquid Bi solution were almost constant at a fixed temperature condition. Temperature effects on the activity coefficients could be expressed by the following equation: log γ=a+b/T, where a and b are experimental constants which correspond to the entropy and enthalpy of the formation of Ln-Bi compound in the melt, respectively. The thermodynamic quantities obtained were discussed in terms of their systematics along the 4f series. (author)

  16. Self-synchronization of populations of nonlinear oscillators in the thermodynamic limit

    International Nuclear Information System (INIS)

    Bonilla, L.L.; Casado, J.M.; Morillo, M.

    1987-01-01

    A population of identical nonlinear oscillators, subject to random forces and coupled via a mean-field interaction, is studied in the thermodynamic limit. The model presents a nonequilibrium phase transition from a stationary to a time-periodic probability density. Below the transition line, the population of oscillators is in a quiescent state with order parameter equal to zero. Above the transition line, there is a state of collective rhythmicity characterized by a time-periodic behavior of the order parameter and all moments of the probability distribution. The information entropy of the ensemble is a constant both below and above the critical line. Analytical and numerical analyses of the model are provided

  17. Thermodynamic DFT analysis of natural gas.

    Science.gov (United States)

    Neto, Abel F G; Huda, Muhammad N; Marques, Francisco C; Borges, Rosivaldo S; Neto, Antonio M J C

    2017-08-01

    Density functional theory was performed for thermodynamic predictions on natural gas, whose B3LYP/6-311++G(d,p), B3LYP/6-31+G(d), CBS-QB3, G3, and G4 methods were applied. Additionally, we carried out thermodynamic predictions using G3/G4 averaged. The calculations were performed for each major component of seven kinds of natural gas and to their respective air + natural gas mixtures at a thermal equilibrium between room temperature and the initial temperature of a combustion chamber during the injection stage. The following thermodynamic properties were obtained: internal energy, enthalpy, Gibbs free energy and entropy, which enabled us to investigate the thermal resistance of fuels. Also, we estimated an important parameter, namely, the specific heat ratio of each natural gas; this allowed us to compare the results with the empirical functions of these parameters, where the B3LYP/6-311++G(d,p) and G3/G4 methods showed better agreements. In addition, relevant information on the thermal and mechanic resistance of natural gases were investigated, as well as the standard thermodynamic properties for the combustion of natural gas. Thus, we show that density functional theory can be useful for predicting the thermodynamic properties of natural gas, enabling the production of more efficient compositions for the investigated fuels. Graphical abstract Investigation of the thermodynamic properties of natural gas through the canonical ensemble model and the density functional theory.

  18. Ponderomotive Forces in Cosmos

    Science.gov (United States)

    Lundin, R.; Guglielmi, A.

    2006-12-01

    This review is devoted to ponderomotive forces and their importance for the acceleration of charged particles by electromagnetic waves in space plasmas. Ponderomotive forces constitute time-averaged nonlinear forces acting on a media in the presence of oscillating electromagnetic fields. Ponderomotive forces represent a useful analytical tool to describe plasma acceleration. Oscillating electromagnetic fields are also related with dissipative processes, such as heating of particles. Dissipative processes are, however, left outside these discussions. The focus will be entirely on the (conservative) ponderomotive forces acting in space plasmas. The review consists of seven sections. In Section 1, we explain the rational for using the auxiliary ponderomotive forces instead of the fundamental Lorentz force for the study of particle motions in oscillating fields. In Section 2, we present the Abraham, Miller, Lundin-Hultqvist and Barlow ponderomotive forces, and the Bolotovsky-Serov ponderomotive drift. The hydrodynamic, quasi-hydrodynamic, and ‘`test-particle’' approaches are used for the study of ponderomotive wave-particle interaction. The problems of self-consistency and regularization are discussed in Section 3. The model of static balance of forces (Section 4) exemplifies the interplay between thermal, gravitational and ponderomotive forces, but it also introduces a set of useful definitions, dimensionless parameters, etc. We analyze the Alfvén and ion cyclotron waves in static limit with emphasis on the specific distinction between traveling and standing waves. Particular attention has been given to the impact of traveling Alfvén waves on the steady state anabatic wind that blows over the polar regions (Section~5). We demonstrate the existence of a wave-induced cold anabatic wind. We also show that, at a critical point, the ponderomotive acceleration of the wind is a factor of 3 greater than the thermal acceleration. Section 6 demonstrates various

  19. Thermodynamic Database for Zirconium Alloys

    International Nuclear Information System (INIS)

    Jerlerud Perez, Rosa

    2003-05-01

    For many decades zirconium alloys have been commonly used in the nuclear power industry as fuel cladding material. Besides their good corrosion resistance and acceptable mechanical properties the main reason of using these alloys is the low neutron absorption. Zirconium alloys are exposed to a very severe environment during the nuclear fission process and there is a demand for better design of this material. To meet this requirement a thermodynamic database is developed to support material designers. In this thesis some aspects about the development of a thermodynamic database for zirconium alloys are presented. A thermodynamic database represents an important facility in applying thermodynamic equilibrium calculations for a given material providing: 1) relevant information about the thermodynamic properties of the alloys e.g. enthalpies, activities, heat capacity, and 2) significant information for the manufacturing process e.g. heat treatment temperature. The basic information in the database is first the unary data, i.e. pure elements; those are taken from the compilation of the Scientific Group Thermodata Europe (SGTE) and then the binary and ternary systems. All phases present in those binary and ternary systems are described by means of the Gibbs energy dependence on composition and temperature. Many of those binary systems have been taken from published or unpublished works and others have been assessed in the present work. All the calculations have been made using Thermo C alc software and the representation of the Gibbs energy obtained by applying Calphad technique

  20. Optical force rectifiers based on PT-symmetric metasurfaces

    Science.gov (United States)

    Alaee, Rasoul; Gurlek, Burak; Christensen, Johan; Kadic, Muamer

    2018-05-01

    We introduce here the concept of optical force rectifier based on parity-time symmetric metasurfaces. Directly linked to the properties of non-Hermitian systems engineered by balanced loss and gain constituents, we show that light can exert asymmetric pulling or pushing forces on metasurfaces depending on the direction of the impinging light. This generates a complete force rectification in the vicinity of the exceptional point. Our findings have the potential to spark the design of applications in optical manipulation where the forces, strictly speaking, act unidirectionally.

  1. Statistical thermodynamics of alloys

    International Nuclear Information System (INIS)

    Gokcen, N.A.

    1986-01-01

    This book presents information on the following topics: consequences of laws of thermodynamics; Helmholtz and Gibbs energies; analytical forms of excess partial molar properties; single-component and multicomponent equilibria; phase rules and diagrams; lever rule; fermions, bosons, and Boltzons; approximate equations; enthalpy and heat capacity; Pd-H system; hydrogen-metal systems; limitations of Wagner model; energy of electrons and hols; dopants in semiconductors; derived thermodynamic properties; simple equivalent circuit; calculation procedure; multicompoent diagrams re; Engel-Brewer theories; p-n junctions; and solar cells

  2. On thermodynamics of methane+carbonaceous materials adsorption

    KAUST Repository

    Rahman, Kazi Afzalur

    2012-01-01

    This study presents the theoretical frameworks for the thermodynamic quantities namely the heat of adsorption, specific heat capacity, entropy, and enthalpy for the adsorption of methane onto various carbonaceous materials. The proposed theoretical frameworks are developed from the rigor of thermodynamic property surfaces of a single component adsorbate-adsorbent system and by incorporating the micropore filling theory approach, where the effect of adsorbed phase volume is considered. The abovementioned thermodynamic properties are quantitatively evaluated from the experimental uptake data for methane adsorption onto activated carbons such as Maxsorb III at temperatures ranging from 120 to 350 K and pressures up to 25 bar. Employing the proposed thermodynamic approaches, this paper shows the thermodynamic maps of the charge and discharge processes of adsorbed natural gas (ANG) storage system for understanding the behaviors of natural gas in ANG vessel. © 2011 Elsevier Ltd. All rights reserved.

  3. JAEA thermodynamic database for performance assessment of geological disposal of high-level and TRU wastes. Selection of thermodynamic data of cobalt and nickel

    International Nuclear Information System (INIS)

    Kitamura, Akira; Yui, Mikazu; Kirishima, Akira; Saito, Takumi; Shibutani, Sanae; Tochiyama, Osamu

    2009-11-01

    Within the scope of the JAEA thermodynamic database project for performance assessment of geological disposal of high-level and TRU wastes, the selection of the thermodynamic data on the inorganic compounds and complexes of cobalt and nickel have been carried out. For cobalt, extensive literature survey has been performed and all the obtained literatures have been carefully reviewed to select the thermodynamic data. Selection of thermodynamic data of nickel has been based on a thermodynamic database published by the Nuclear Energy Agency in the Organisation for Economic Co-operation and Development (OECD/NEA), which has been carefully reviewed by the authors, and then thermodynamic data have been selected after surveying latest literatures. Based on the similarity of chemical properties between cobalt and nickel, complementary thermodynamic data of nickel and cobalt species expected under the geological disposal condition have been selected to complete the thermodynamic data set for the performance assessment of geological disposal of radioactive wastes. (author)

  4. Stochastic deformation of a thermodynamic symplectic structure

    OpenAIRE

    Kazinski, P. O.

    2008-01-01

    A stochastic deformation of a thermodynamic symplectic structure is studied. The stochastic deformation procedure is analogous to the deformation of an algebra of observables like deformation quantization, but for an imaginary deformation parameter (the Planck constant). Gauge symmetries of thermodynamics and corresponding stochastic mechanics, which describes fluctuations of a thermodynamic system, are revealed and gauge fields are introduced. A physical interpretation to the gauge transform...

  5. Pyroelectric Energy Harvesting: With Thermodynamic-Based Cycles

    OpenAIRE

    Saber Mohammadi; Akram Khodayari

    2012-01-01

    This work deals with energy harvesting from temperature variations using ferroelectric materials as a microgenerator. The previous researches show that direct pyroelectric energy harvesting is not effective, whereas thermodynamic-based cycles give higher energy. Also, at different temperatures some thermodynamic cycles exhibit different behaviours. In this paper pyroelectric energy harvesting using Lenoir and Ericsson thermodynamic cycles has been studied numerically and the two cycles were c...

  6. Statistical thermodynamics of alloys

    CERN Document Server

    Gokcen, N A

    1986-01-01

    This book is intended for scientists, researchers, and graduate students interested in solutions in general, and solutions of metals in particular. Readers are assumed to have a good background in thermodynamics, presented in such books as those cited at the end of Chapter 1, "Thermo­ dynamic Background." The contents of the book are limited to the solutions of metals + metals, and metals + metalloids, but the results are also appli­ cable to numerous other types of solutions encountered by metallurgists, materials scientists, geologists, ceramists, and chemists. Attempts have been made to cover each topic in depth with numerical examples whenever necessary. Chapter 2 presents phase equilibria and phase diagrams as related to the thermodynamics of solutions. The emphasis is on the binary diagrams since the ternary diagrams can be understood in terms of the binary diagrams coupled with the phase rule, and the Gibbs energies of mixing. The cal­ culation of thermodynamic properties from the phase diagrams is ...

  7. A Metabolite-Sensitive, Thermodynamically Constrained Model of Cardiac Cross-Bridge Cycling: Implications for Force Development during Ischemia

    KAUST Repository

    Tran, Kenneth; Smith, Nicolas P.; Loiselle, Denis S.; Crampin, Edmund J.

    2010-01-01

    We present a metabolically regulated model of cardiac active force generation with which we investigate the effects of ischemia on maximum force production. Our model, based on a model of cross-bridge kinetics that was developed by others, reproduces many of the observed effects of MgATP, MgADP, Pi, and H(+) on force development while retaining the force/length/Ca(2+) properties of the original model. We introduce three new parameters to account for the competitive binding of H(+) to the Ca(2+) binding site on troponin C and the binding of MgADP within the cross-bridge cycle. These parameters, along with the Pi and H(+) regulatory steps within the cross-bridge cycle, were constrained using data from the literature and validated using a range of metabolic and sinusoidal length perturbation protocols. The placement of the MgADP binding step between two strongly-bound and force-generating states leads to the emergence of an unexpected effect on the force-MgADP curve, where the trend of the relationship (positive or negative) depends on the concentrations of the other metabolites and [H(+)]. The model is used to investigate the sensitivity of maximum force production to changes in metabolite concentrations during the development of ischemia.

  8. International thermodynamic tables of the fluid state propylene (propene)

    CERN Document Server

    Angus, S; De Reuck, K M

    2013-01-01

    International Thermodynamic Tables of the Fluid State - 7 Propylene (Propene) is a compilation of internationally agreed values of the equilibrium thermodynamic properties of propylene. This book is composed of three chapters, and begins with the presentation of experimental result of thermodynamic studies compared with the equations used to generate the tables. The succeeding chapter deals with correlating equations for thermodynamic property determination of propylene. The last chapter provides the tabulations of the propylene's thermodynamic properties and constants. This book will prove

  9. 32 CFR 806.29 - Administrative processing of Air Force FOIA requests.

    Science.gov (United States)

    2010-07-01

    ... FORCE ADMINISTRATION AIR FORCE FREEDOM OF INFORMATION ACT PROGRAM § 806.29 Administrative processing of... information systems by processing a simple request/providing a response in the electronic format requested.../service/a nongovernment source (Exemption 4), records are part of the Air Force's decision-making process...

  10. 32 CFR 806.27 - Samples of Air Force FOIA processing documents.

    Science.gov (United States)

    2010-07-01

    ... ADMINISTRATION AIR FORCE FREEDOM OF INFORMATION ACT PROGRAM § 806.27 Samples of Air Force FOIA processing... determination within 20 workdays, we have instituted multitrack processing of requests. Based on the information... source; responsive records were part of the Air Force's decision-making process, and the prerelease...

  11. New methods of thermodynamics; Nouvelles methodes en thermodynamique

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2001-07-01

    This day, organized by the SFT French Society of Thermology, took stock on the new methods in the domain of the thermodynamics. Eight papers have been presented during this day: new developments of the thermodynamics in finite time; the optimal efficiency of energy converters; a version of non-equilibrium thermodynamics with entropy and information as positive and negative thermal change; the role of thermodynamics in process integration; application of the thermodynamics to critical nuclear accidents; the entropic analysis help in the case of charge and discharge state of an energy storage process; fluid flow threw a stable state in the urban hydraulic; a computer code for phase diagram prediction. (A.L.B.)

  12. Modern Thermodynamics Based on the Extended Carnot Theorem

    CERN Document Server

    Wang, Jitao

    2012-01-01

    "Modern Thermodynamics- Based on the Extended Carnot Theorem" provides comprehensive definitions and mathematical expressions of both classical and modern thermodynamics. The goal is to develop the fundamental theory on an extended Carnot theorem without incorporating any extraneous assumptions. In particular, it offers a fundamental thermodynamic and calculational methodology for the synthesis of low-pressure diamonds. It also discusses many "abnormal phenomena", such as spiral reactions, cyclic reactions, chemical oscillations, low-pressure carat-size diamond growth, biological systems, and more. The book is intended for chemists and physicists working in thermodynamics, chemical thermodynamics, phase diagrams, biochemistry and complex systems, as well as graduate students in these fields. Jitao Wang is a professor emeritus at Fudan University, Shanghai, China.

  13. 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.)

  14. Thermodynamic calculations in ternary titanium–aluminium–manganese system

    Directory of Open Access Journals (Sweden)

    ANA I. KOSTOV

    2008-04-01

    Full Text Available Thermodynamic calculations in the ternary Ti–Al–Mn system are shown in this paper. The thermodynamic calculations were performed using the FactSage thermochemical software and database, with the aim of determining thermodynamic properties, such as activities, coefficient of activities, partial and integral values of the enthalpies and Gibbs energies of mixing and excess energies at two different temperatures: 2000 and 2100 K. Bearing in mind that no experimental data for the Ti–Al–Mn ternary system have been obtained or reported. The obtained results represent a good base for further thermodynamic analysis and may be useful as a comparison with some future critical experimental results and thermodynamic optimization of this system.

  15. System modelling of a lateral force microscope

    International Nuclear Information System (INIS)

    Michal, Guillaume; Lu, Cheng; Kiet Tieu, A

    2008-01-01

    To quantitatively analyse lateral force microscope measurements one needs to develop a model able to relate the photodiode signal to the force acting on the tip apex. In this paper we focus on the modelling of the interaction between the cantilever and the optical chain. The laser beam is discretized by a set of rays which propagates in the system. The analytical equation of a single ray's position on the optical sensor is presented as a function of the reflection's state on top of the cantilever. We use a finite element analysis on the cantilever to connect the optical model with the force acting on the tip apex. A first-order approximation of the constitutive equations are derived along with a definition of the system's crosstalk. Finally, the model is used to analytically simulate the 'wedge method' in the presence of crosstalk in 2D. The analysis shows how the torsion loop and torsion offset signals are affected by the crosstalk.

  16. Development of Thermodynamic Conceptual Evaluation

    Science.gov (United States)

    Talaeb, P.; Wattanakasiwich, P.

    2010-07-01

    This research aims to develop a test for assessing student understanding of fundamental principles in thermodynamics. Misconceptions found from previous physics education research were used to develop the test. Its topics include heat and temperature, the zeroth and the first law of thermodynamics, and the thermodynamics processes. The content validity was analyzed by three physics experts. Then the test was administered to freshmen, sophomores and juniors majored in physics in order to determine item difficulties and item discrimination of the test. A few items were eliminated from the test. Finally, the test will be administered to students taking Physics I course in order to evaluate the effectiveness of Interactive Lecture Demonstrations that will be used for the first time at Chiang Mai University.

  17. 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.

  18. Thermodynamic assessment of the Cu–Fe–Ni system

    International Nuclear Information System (INIS)

    Dreval, Liya A.; Turchanin, Mikhail A.; Agraval, Pavel G.

    2014-01-01

    Highlights: • The thermodynamic description of the Cu–Fe–Ni system has been updated. • The new experimental data have been used to refine thermodynamic model of the system. • The four-sublattice model has been adopted to predict the equilibria involving the ordered L1 2 phase. • A significant improvement in comparison with the previous assessments has been achieved. • The liquidus and solidus projections have been presented. -- Abstract: The thermodynamic description of the Cu–Fe–Ni system has been updated considering the newly available experimental data, as well as compatibility of the present modeling with those used for the Cu and Fe systems. All of the experimental data available in the literature have been critically reviewed, and the inconsistent information has been excluded. The thermodynamic parameters have been evaluated in order to properly describe the thermodynamic properties of the liquid phase and miscibility gap in the solid state. A significant improvement in comparison with the previous thermodynamic descriptions has been achieved. Additionally, for the ordered L1 2 phase the four-sublattice model has been adopted to predict the ternary phase equilibria involving this phase. A set of thermodynamic parameters for the phases is given

  19. Size- and shape-dependent surface thermodynamic properties of nanocrystals

    Science.gov (United States)

    Fu, Qingshan; Xue, Yongqiang; Cui, Zixiang

    2018-05-01

    As the fundamental properties, the surface thermodynamic properties of nanocrystals play a key role in the physical and chemical changes. However, it remains ambiguous about the quantitative influence regularities of size and shape on the surface thermodynamic properties of nanocrystals. Thus by introducing interface variables into the Gibbs energy and combining Young-Laplace equation, relations between the surface thermodynamic properties (surface Gibbs energy, surface enthalpy, surface entropy, surface energy and surface heat capacity), respectively, and size of nanocrystals with different shapes were derived. Theoretical estimations of the orders of the surface thermodynamic properties of nanocrystals agree with available experimental values. Calculated results of the surface thermodynamic properties of Au, Bi and Al nanocrystals suggest that when r > 10 nm, the surface thermodynamic properties linearly vary with the reciprocal of particle size, and when r < 10 nm, the effect of particle size on the surface thermodynamic properties becomes greater and deviates from linear variation. For nanocrystals with identical equivalent diameter, the more the shape deviates from sphere, the larger the surface thermodynamic properties (absolute value) are.

  20. Modern thermodynamics from heat engines to dissipative structures

    CERN Document Server

    Kondepudi, Dilip

    2014-01-01

    Modern Thermodynamics: From Heat Engines to Dissipative Structures, Second Edition presents a comprehensive introduction to 20th century thermodynamics that can be applied to both equilibrium and non-equilibrium systems, unifying what was traditionally divided into 'thermodynamics' and 'kinetics' into one theory of irreversible processes. This comprehensive text, suitable for introductory as well as advanced courses on thermodynamics, has been widely used by chemists, physicists, engineers and geologists.  Fully revised and expanded, this new edition includes the following updates and featur